data_2rq1_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 2rq1 _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 89' ' ' GLU . . . . . 0.401 ' O ' HG22 ' A' ' 92' ' ' THR . 1.3 mt-10 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.869 0.366 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -72.55 -47.83 45.08 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 49.9 mm -59.03 -46.39 91.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.022 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.401 HG22 ' O ' ' A' ' 89' ' ' GLU . 8.3 t -64.52 -50.83 65.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.745 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -54.5 -51.19 65.88 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.544 0.211 . . . . 0.0 111.344 -179.077 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -53.56 -55.24 27.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.845 0.355 . . . . 0.0 111.048 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -59.63 -43.25 93.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.409 HD21 ' CE2' ' A' ' 187' ' ' TYR . 5.2 tp -51.63 -55.57 18.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.293 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 2.2 t -57.94 -41.23 82.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.923 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 34.7 mt -60.98 -48.89 79.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.012 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -66.72 -48.7 68.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.4 mt -57.43 -52.04 67.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.05 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 19.5 ttp-105 -63.25 -28.84 70.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.029 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -71.19 -39.35 71.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.851 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -69.38 -35.57 75.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 10.5 mt -67.73 -52.97 34.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.346 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 31.6 m -57.89 -32.37 43.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.643 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -85.91 -3.33 58.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.648 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 67.27 34.36 85.38 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.327 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -82.23 0.95 38.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.574 0.226 . . . . 0.0 111.417 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.9 tt -151.31 132.72 7.78 Favored Pre-proline 0 C--N 1.331 -0.207 0 CA-C-O 120.557 0.218 . . . . 0.0 110.714 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -67.95 121.64 8.68 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.393 2.062 . . . . 0.0 112.244 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 58.8 m -138.63 168.28 20.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.677 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 72.9 m -102.74 163.36 12.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.07 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -55.92 -46.99 78.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.957 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.05 -48.25 76.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.686 -178.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 74.9 m -65.35 -39.98 93.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.842 0.353 . . . . 0.0 110.578 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 14.6 mt -57.79 -47.16 83.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.048 0.452 . . . . 0.0 110.124 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.83 -35.1 72.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.657 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 7.7 tt -69.73 -52.28 26.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.795 0.331 . . . . 0.0 111.086 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.411 HD21 ' CD2' ' A' ' 177' ' ' PHE . 43.7 mt -62.02 -34.95 77.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.042 0.448 . . . . 0.0 110.415 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -71.17 -50.65 21.43 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.666 -0.778 . . . . 0.0 111.929 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 35.0 m -53.56 -34.61 58.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.655 0.264 . . . . 0.0 111.325 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.418 ' CE1' ' HG3' ' A' ' 176' ' ' GLU . 14.6 m-85 -73.8 -46.53 44.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.807 0.337 . . . . 0.0 110.834 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 83.3 m -61.28 -39.8 91.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.679 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.418 HG22 ' CD1' ' A' ' 128' ' ' LEU . 29.3 mm -63.55 -50.84 76.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.694 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . 0.409 ' O ' ' CA ' ' A' ' 129' ' ' GLY . 0.0 OUTLIER -59.19 -35.23 73.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 12.8 t -78.83 -25.31 44.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.05 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.91 -41.96 22.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.056 -179.326 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.418 ' CD1' HG22 ' A' ' 124' ' ' ILE . 1.2 mp -110.01 -0.23 18.19 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.218 -178.416 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.409 ' CA ' ' O ' ' A' ' 125' ' ' GLN . . . . . . . . 0 N--CA 1.448 -0.515 0 C-N-CA 120.515 -0.85 . . . . 0.0 112.384 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . 0.423 ' CG1' ' CD1' ' A' ' 146' ' ' LEU . 21.0 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.831 0.348 . . . . 0.0 111.288 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.4 m -63.01 -14.28 45.9 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.649 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -83.92 -22.33 31.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.692 0.282 . . . . 0.0 111.183 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' PHE . . . . . 0.41 ' CE2' HD13 ' A' ' 128' ' ' LEU . 78.1 m-85 -114.12 119.77 38.26 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.949 0.405 . . . . 0.0 111.206 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 12.2 mtmt -75.52 102.42 5.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.104 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . 0.423 ' CD1' ' CG1' ' A' ' 141' ' ' VAL . 0.6 OUTLIER -88.1 -19.26 27.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.297 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -175.17 165.78 2.07 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-O 120.766 0.317 . . . . 0.0 111.115 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.62 -42.36 1.82 Allowed 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.562 2.174 . . . . 0.0 112.324 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -106.57 70.86 0.84 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.807 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -80.8 120.92 25.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.033 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 2.9 p -120.0 167.95 11.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.845 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -48.17 -35.74 12.25 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.606 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.69 -58.72 6.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.657 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 51.9 tp -59.41 -43.33 93.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.404 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -59.14 -54.03 51.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.57 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -52.97 -51.19 62.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.94 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 16.6 tptt -57.75 -31.24 66.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.15 -179.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 63.1 t -67.01 -52.84 39.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.863 0.363 . . . . 0.0 110.927 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 7.7 mtt -68.33 -39.75 81.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.17 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.93 -55.12 38.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.064 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 10.0 mt -59.47 -38.91 82.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.987 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -55.76 -54.87 39.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.979 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 11.4 mtpp -74.47 -26.28 59.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.948 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 36.6 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.284 -179.808 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 23.7 p . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.668 0.27 . . . . 0.0 110.739 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -53.28 -52.95 7.53 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.646 2.23 . . . . 0.0 111.944 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -50.97 -38.55 51.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.291 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.91 -44.72 86.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.581 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -65.91 -46.06 79.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.656 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -57.31 -42.62 82.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.178 0.513 . . . . 0.0 110.6 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 14.1 tp -72.39 -30.84 65.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.128 179.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 176' ' ' GLU . . . . . 0.418 ' HG3' ' CE1' ' A' ' 122' ' ' TYR . 8.0 mm-40 -61.27 -52.81 63.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.879 -179.158 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 177' ' ' PHE . . . . . 0.411 ' CD2' HD21 ' A' ' 119' ' ' LEU . 28.4 t80 -71.6 -44.4 64.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.606 0.241 . . . . 0.0 110.828 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 40.0 mt -61.01 -42.78 99.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.894 0.378 . . . . 0.0 110.573 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -68.04 -32.22 72.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.766 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.55 -49.52 32.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.24 179.478 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -61.69 -37.87 85.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.888 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 2.3 mtpm? -71.64 -32.4 67.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.766 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 14.9 mtmt -74.95 -21.35 59.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.052 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.8 mt -95.91 -13.0 24.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.353 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 14.0 m 66.54 44.72 2.24 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.912 0.386 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 35.5 mtp -68.9 -32.46 72.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 187' ' ' TYR . . . . . 0.409 ' CE2' HD21 ' A' ' 96' ' ' LEU . 5.0 p90 . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.415 ' O ' HG22 ' A' ' 92' ' ' THR . 11.0 mt-10 . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.904 0.383 . . . . 0.0 110.712 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -71.96 -47.68 50.47 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.892 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 47.2 mm -60.76 -46.38 96.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.324 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.416 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 9.3 t -62.61 -50.26 71.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.243 -179.515 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.405 ' HB2' ' O ' ' A' ' 89' ' ' GLU . 0.0 OUTLIER -54.39 -50.95 66.34 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.612 0.244 . . . . 0.0 111.566 -178.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -54.59 -52.41 62.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.939 0.4 . . . . 0.0 111.023 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -66.11 -28.39 68.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.284 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.416 ' HB2' ' O ' ' A' ' 92' ' ' THR . 6.0 tp -68.95 -55.26 11.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.892 0.377 . . . . 0.0 110.848 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 57.1 m -55.46 -44.38 76.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.868 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 78.7 mt -57.27 -49.91 74.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.015 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -63.05 -46.37 87.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.113 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.4 mt -60.58 -46.2 91.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.973 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.78 -28.29 69.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.205 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.31 -41.33 70.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.159 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.91 -41.41 71.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.301 -179.607 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 12.0 mt -63.25 -49.97 80.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.391 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 34.0 m -60.6 -32.49 51.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.582 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -80.91 -1.75 44.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.587 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 69.12 33.06 73.3 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.29 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 36.1 mtp85 -83.5 2.38 37.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.497 0.189 . . . . 0.0 111.447 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -155.73 134.88 7.76 Favored Pre-proline 0 C--N 1.332 -0.194 0 CA-C-O 120.517 0.199 . . . . 0.0 110.637 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.28 125.97 12.46 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.39 2.06 . . . . 0.0 112.406 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 13.4 m -139.49 168.27 20.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.698 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 21.0 t -102.37 162.26 13.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.1 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -56.76 -46.95 81.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.996 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.26 -48.58 76.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.647 -178.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 88.1 m -64.97 -40.22 94.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.806 0.336 . . . . 0.0 110.518 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 28.1 mt -57.9 -46.81 84.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.121 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.5 -35.05 73.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.363 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 6.9 tt -68.15 -51.99 39.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.821 0.343 . . . . 0.0 110.934 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.42 HD21 ' CD2' ' A' ' 177' ' ' PHE . 16.8 mt -61.57 -35.0 76.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.094 0.473 . . . . 0.0 110.467 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -71.26 -51.67 16.6 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.151 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 50.2 m -53.72 -35.34 61.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.645 0.26 . . . . 0.0 111.509 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.419 ' CE2' ' HB3' ' A' ' 176' ' ' GLU . 14.6 m-85 -73.85 -44.61 55.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.754 0.311 . . . . 0.0 110.874 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 90.0 m -59.63 -42.76 93.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.551 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 19.7 mm -62.55 -47.64 92.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.281 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . 0.416 ' HA ' ' CE1' ' A' ' 162' ' ' HIS . 9.0 tp60 -58.52 -37.82 76.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.776 179.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.65 -26.28 45.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.115 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.24 -41.32 25.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.353 -179.183 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.5 mt -112.22 1.19 16.07 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -178.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 0.212 0 C-N-CA 120.414 -0.898 . . . . 0.0 112.748 179.726 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . 0.411 ' CG1' ' CD1' ' A' ' 146' ' ' LEU . 10.5 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.787 0.327 . . . . 0.0 111.093 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 25.6 t -63.14 -14.22 46.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.517 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.94 -27.26 18.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.856 0.36 . . . . 0.0 110.777 179.651 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -90.59 126.91 36.1 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.5 91.87 6.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.049 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . 0.411 ' CD1' ' CG1' ' A' ' 141' ' ' VAL . 1.4 mt -88.28 -21.82 24.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.239 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -165.28 165.12 11.95 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.044 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -69.14 -46.71 1.36 Allowed 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.454 2.102 . . . . 0.0 112.282 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -107.75 65.89 0.65 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.803 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -65.32 116.6 6.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.97 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 3.0 t -112.46 158.29 20.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.896 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 17.1 mttm -44.75 -42.16 7.48 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.405 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -57.8 -47.08 83.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.73 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 42.6 tp -65.82 -42.34 90.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.351 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -59.64 -53.9 52.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.663 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -54.94 -51.31 66.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.025 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.5 -30.97 65.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.171 -179.139 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 89.7 t -67.04 -49.88 69.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.881 0.372 . . . . 0.0 110.587 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 10.0 mtt -68.45 -41.39 80.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.069 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -61.72 -55.2 32.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.099 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 61.4 mt -57.03 -41.55 78.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.974 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 162' ' ' HIS . . . . . 0.416 ' CE1' ' HA ' ' A' ' 125' ' ' GLN . 3.5 t-160 -57.57 -56.83 16.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.02 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 8.1 tttm -67.52 -30.17 69.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.05 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 41.6 p . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.318 -179.851 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.719 0.295 . . . . 0.0 110.73 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -56.49 -50.77 10.87 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.439 2.093 . . . . 0.0 111.79 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -55.95 -38.18 69.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.217 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -57.81 -42.94 85.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.603 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -68.7 -45.05 72.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.591 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -57.47 -41.11 79.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.56 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 13.8 tp -72.47 -32.36 66.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.264 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 176' ' ' GLU . . . . . 0.419 ' HB3' ' CE2' ' A' ' 122' ' ' TYR . 8.6 mm-40 -61.16 -54.54 43.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.944 -179.077 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 177' ' ' PHE . . . . . 0.42 ' CD2' HD21 ' A' ' 119' ' ' LEU . 10.3 t80 -70.95 -40.09 72.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.639 0.257 . . . . 0.0 110.665 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 21.4 mt -62.82 -42.73 99.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.796 0.332 . . . . 0.0 110.584 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -67.73 -32.6 73.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.726 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -72.68 -49.5 31.08 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.319 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -62.37 -37.96 87.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.153 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -70.21 -35.14 73.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.861 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 3.8 mtmm -74.11 -20.48 60.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.047 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.8 mt -94.5 -10.19 33.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.314 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 28.9 t 61.85 79.33 0.26 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.81 0.338 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 24.2 mtp -113.91 -36.26 4.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 187' ' ' TYR . . . . . . . . . . . . . 9.8 p90 . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.899 -179.941 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.009 0.433 . . . . 0.0 110.588 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -71.98 -47.84 49.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.527 179.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 40.2 mm -62.98 -47.11 94.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.149 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 11.1 t -62.5 -51.12 68.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.1 ttp-105 -54.51 -44.52 72.8 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.601 0.239 . . . . 0.0 111.607 -179.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -59.0 -53.15 61.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.927 0.394 . . . . 0.0 110.688 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -65.32 -28.31 69.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.12 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.9 tp -68.07 -55.24 13.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.762 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.37 -41.54 76.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.745 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 85.1 mt -60.89 -41.94 97.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.836 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -68.6 -48.05 65.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.96 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.414 HD13 ' CZ ' ' A' ' 187' ' ' TYR . 2.3 mt -61.7 -44.93 95.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.738 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -66.94 -28.61 68.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.141 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -71.32 -39.0 71.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.966 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -70.95 -39.35 72.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.107 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 9.3 mt -65.24 -53.1 44.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.392 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 23.6 m -60.52 -32.32 51.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.56 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.02 -3.42 42.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.64 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 68.81 32.88 74.4 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.37 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.7 mtp180 -92.47 4.35 53.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.571 0.224 . . . . 0.0 111.386 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -153.67 113.83 2.6 Favored Pre-proline 0 C--N 1.332 -0.174 0 CA-C-O 120.565 0.222 . . . . 0.0 110.712 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -53.16 130.17 36.89 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.484 2.123 . . . . 0.0 112.425 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 39.2 m -143.32 168.25 20.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.727 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.53 164.62 11.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.071 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -59.32 -49.58 77.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.878 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.12 -46.05 79.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.579 -179.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 98.2 m -67.42 -38.98 85.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.88 0.371 . . . . 0.0 110.332 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 22.4 mt -58.98 -46.12 88.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.157 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -71.8 -34.78 69.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.446 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 8.2 tt -68.64 -51.9 37.09 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.875 0.369 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.413 HD23 ' CD2' ' A' ' 177' ' ' PHE . 19.7 mt -62.58 -34.46 77.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.307 179.566 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -71.51 -52.34 13.18 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.03 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 49.6 m -53.67 -34.48 58.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.624 0.25 . . . . 0.0 111.425 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.423 ' CE1' ' HG3' ' A' ' 176' ' ' GLU . 17.1 m-85 -73.5 -47.18 43.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.795 0.331 . . . . 0.0 110.86 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 77.0 m -59.96 -39.91 87.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.736 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 29.2 mm -63.85 -49.53 81.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.521 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . 0.4 ' HA ' ' CE1' ' A' ' 162' ' ' HIS . 2.1 tp60 -58.43 -37.48 75.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.656 179.709 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 10.7 p -78.84 -25.83 44.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.082 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.3 -38.73 30.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.296 -179.088 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.3 mp -115.22 0.49 13.55 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.011 -0.54 . . . . 0.0 112.374 -178.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.494 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.37 -179.98 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . 0.402 ' CG1' ' CD1' ' A' ' 146' ' ' LEU . 23.7 t . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.827 0.346 . . . . 0.0 111.082 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 16.8 t -63.12 -14.26 46.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.667 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -87.29 -27.8 22.68 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.766 0.317 . . . . 0.0 110.872 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -96.99 122.7 40.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.977 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -76.32 96.5 3.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.05 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . 0.402 ' CD1' ' CG1' ' A' ' 141' ' ' VAL . 5.7 mt -85.09 -22.48 28.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.193 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -170.73 165.45 5.08 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.181 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -68.56 -38.39 11.06 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.565 2.177 . . . . 0.0 112.215 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -115.39 65.84 0.69 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.772 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -68.83 119.87 13.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 7.3 t -115.02 161.31 18.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.906 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -45.07 -43.59 9.61 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.298 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -56.49 -47.63 78.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.751 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 48.2 tp -66.85 -39.13 87.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.362 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -60.83 -53.98 50.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.65 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -54.59 -50.93 66.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.064 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 12.2 tptt -57.59 -33.11 67.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.37 -179.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 98.8 t -67.05 -51.55 53.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.798 0.332 . . . . 0.0 110.975 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 9.3 mtt -68.25 -42.25 79.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.267 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -62.38 -49.05 77.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.107 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 63.9 mt -61.41 -42.19 98.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.012 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 162' ' ' HIS . . . . . 0.4 ' CE1' ' HA ' ' A' ' 125' ' ' GLN . 8.0 t-160 -57.61 -56.71 18.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.063 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -69.13 -29.59 67.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.006 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 41.7 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.207 -179.815 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.711 0.291 . . . . 0.0 110.758 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -55.31 -51.62 9.63 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.508 2.139 . . . . 0.0 111.718 179.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -53.66 -40.29 65.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.307 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -57.84 -45.62 85.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.621 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -65.32 -44.08 88.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.503 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -58.13 -40.47 81.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.48 179.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 9.2 tp -72.47 -33.34 66.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.381 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 176' ' ' GLU . . . . . 0.423 ' HG3' ' CE1' ' A' ' 122' ' ' TYR . 8.6 mm-40 -61.07 -54.58 42.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 112.019 -179.011 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 177' ' ' PHE . . . . . 0.413 ' CD2' HD23 ' A' ' 119' ' ' LEU . 13.1 t80 -70.44 -44.3 68.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.648 0.261 . . . . 0.0 110.784 -179.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 36.8 mt -60.46 -41.38 94.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.893 0.378 . . . . 0.0 110.567 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -68.17 -32.56 72.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.698 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -73.31 -49.61 26.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.458 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -61.09 -37.72 83.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.047 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 182' ' ' LYS . . . . . 0.427 ' HG3' ' CE1' ' A' ' 187' ' ' TYR . 26.7 mttt -74.04 -31.04 62.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.038 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 8.1 ttpt -77.47 -22.82 50.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.134 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.5 mt -87.96 -10.2 51.21 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.287 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.2 34.05 11.24 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.815 0.34 . . . . 0.0 110.83 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 19.5 ptm -101.83 27.57 6.38 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 187' ' ' TYR . . . . . 0.427 ' CE1' ' HG3' ' A' ' 182' ' ' LYS . 2.7 m-85 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.927 0.394 . . . . 0.0 110.662 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -70.49 -47.72 59.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.63 179.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 39.5 mm -63.29 -48.6 86.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.235 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 11.6 t -60.48 -50.89 71.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.205 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 37.3 ttp180 -54.71 -46.31 74.17 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.646 0.26 . . . . 0.0 111.624 -179.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -56.98 -52.33 65.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.934 0.397 . . . . 0.0 110.901 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -67.21 -28.42 68.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.192 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.1 tp -68.08 -55.23 13.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.817 0.342 . . . . 0.0 110.791 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 4.9 t -58.12 -41.34 83.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.841 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 19.7 mt -58.81 -46.38 87.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -66.31 -43.21 86.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.944 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.435 HD11 ' CE1' ' A' ' 187' ' ' TYR . 7.3 mt -64.1 -42.53 96.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.793 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.14 -28.52 67.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.095 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -71.39 -40.27 70.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.95 0.405 . . . . 0.0 110.851 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -71.05 -37.12 72.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.306 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 10.7 mt -68.14 -52.54 37.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.461 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 31.2 m -60.02 -32.07 49.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.488 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -79.01 -2.97 42.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.54 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 71.26 25.71 74.96 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.506 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 2.2 tpt85 -83.81 1.6 42.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.548 0.213 . . . . 0.0 111.393 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -151.74 132.91 7.75 Favored Pre-proline 0 C--N 1.332 -0.171 0 CA-C-O 120.563 0.22 . . . . 0.0 110.675 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.43 127.9 13.86 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.426 2.084 . . . . 0.0 112.379 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 12.8 m -140.17 168.36 19.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.707 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.5 p -102.08 165.45 11.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.092 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.431 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 18.1 t80 -59.84 -51.57 69.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.844 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.27 -45.17 80.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.573 -179.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 88.7 m -67.21 -39.81 86.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.831 0.348 . . . . 0.0 110.379 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 17.1 mt -58.35 -47.65 83.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.102 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.69 -35.17 74.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.371 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.424 ' HG ' ' CE2' ' A' ' 122' ' ' TYR . 7.3 tt -67.49 -51.89 45.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.827 0.346 . . . . 0.0 110.782 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.425 HD22 ' CD2' ' A' ' 177' ' ' PHE . 15.4 mt -61.19 -33.83 74.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.307 179.531 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . 0.406 ' O ' HG12 ' A' ' 124' ' ' ILE . . . -71.32 -51.9 15.45 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.125 179.356 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 19.7 p -53.54 -35.23 60.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.573 0.225 . . . . 0.0 111.499 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.432 ' CE2' ' HB3' ' A' ' 176' ' ' GLU . 19.1 m-85 -74.19 -43.13 58.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.721 0.296 . . . . 0.0 110.676 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 64.6 m -63.28 -40.14 96.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.501 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.406 HG12 ' O ' ' A' ' 120' ' ' GLY . 27.2 mm -62.95 -49.73 82.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.386 179.492 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -57.93 -36.82 73.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.826 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.59 -23.42 46.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.07 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -82.28 -43.94 16.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.151 -179.305 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.4 mp -110.38 1.22 18.28 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.359 -178.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.248 0 C-N-CA 120.438 -0.887 . . . . 0.0 112.766 179.765 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 13.9 t . . . . . 0 CA--C 1.528 0.13 0 CA-C-O 120.841 0.353 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 21.6 p -64.86 -14.08 58.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.551 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.85 -27.88 28.4 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.813 0.34 . . . . 0.0 110.866 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -96.57 130.53 43.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.956 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 3.5 mtmp? -77.25 93.24 3.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . 0.403 ' CD1' ' NE2' ' A' ' 150' ' ' GLN . 0.8 OUTLIER -82.59 -24.11 34.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.101 -179.904 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -174.4 166.55 2.34 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.06 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -69.0 -40.06 7.06 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.515 2.143 . . . . 0.0 112.312 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -112.93 66.94 0.65 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . 0.403 ' NE2' ' CD1' ' A' ' 146' ' ' LEU . 13.7 tt0 -72.91 120.13 18.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.943 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 1.2 t -115.64 160.96 19.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.01 -43.52 9.27 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.265 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . 0.431 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 2.4 mt-10 -56.73 -50.63 71.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.762 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 54.9 tp -64.46 -39.56 94.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.475 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -60.46 -54.09 49.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.682 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -55.01 -49.57 71.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.55 -33.06 67.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.2 -179.313 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 84.9 t -67.05 -48.88 77.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.873 0.368 . . . . 0.0 110.717 179.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 10.2 mtt -68.46 -40.05 81.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.06 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.56 -52.09 67.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 12.0 mt -63.15 -36.23 82.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.721 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 14.0 t-160 -61.39 -56.56 18.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.706 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 4.8 tttp -67.12 -29.38 69.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.682 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.133 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 5.9 p . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.62 0.248 . . . . 0.0 110.624 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -52.5 -53.46 6.84 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.392 2.062 . . . . 0.0 111.695 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -53.12 -39.8 63.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.437 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -57.77 -43.68 85.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.652 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -66.37 -43.03 87.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.53 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.05 -42.25 94.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.512 179.478 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 12.6 tp -72.48 -32.28 66.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.033 179.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 176' ' ' GLU . . . . . 0.432 ' HB3' ' CE2' ' A' ' 122' ' ' TYR . 7.5 mm-40 -60.44 -54.39 46.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.785 -179.176 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 177' ' ' PHE . . . . . 0.425 ' CD2' HD22 ' A' ' 119' ' ' LEU . 16.6 t80 -68.62 -46.56 68.91 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 121.126 -0.23 . . . . 0.0 110.711 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 19.6 mt -59.27 -38.8 81.02 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.9 0.381 . . . . 0.0 110.438 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -67.7 -34.42 76.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.844 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -73.75 -49.52 25.1 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.504 179.558 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -61.42 -38.07 85.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.641 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 17.2 mtmt -69.6 -35.38 75.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.784 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 4.6 ttmm -77.51 -22.3 51.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.08 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.5 mt -92.36 -3.93 54.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.396 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 2.1 m 62.16 42.87 9.17 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.856 0.36 . . . . 0.0 110.934 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 33.4 mmm -75.7 -14.32 60.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.179 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 187' ' ' TYR . . . . . 0.435 ' CE1' HD11 ' A' ' 100' ' ' LEU . 8.9 m-85 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.876 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.796 0.332 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -71.42 -48.58 48.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.349 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 15.6 mt -67.64 -46.35 83.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.266 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.402 ' CG2' ' N ' ' A' ' 93' ' ' ARG . 12.0 t -56.09 -52.49 64.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.546 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.402 ' N ' ' CG2' ' A' ' 92' ' ' THR . 2.9 tmt_? -55.0 -46.47 75.18 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 120.689 0.28 . . . . 0.0 110.804 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -53.17 -56.68 14.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.984 0.421 . . . . 0.0 110.593 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -63.81 -28.26 69.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.825 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.1 tp -66.25 -55.3 16.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.925 0.393 . . . . 0.0 110.547 179.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.3 t -55.75 -40.36 72.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.636 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 70.8 mt -59.53 -43.72 93.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.734 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -67.58 -47.53 69.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.9 mt -60.26 -45.78 92.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.698 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 52.2 ttp180 -66.29 -28.73 68.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.091 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -71.22 -40.9 70.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.018 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.83 -42.32 70.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.108 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 9.3 mt -62.46 -53.35 48.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.339 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 29.3 m -59.43 -32.41 48.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.427 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -79.78 -2.58 43.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.545 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 68.2 34.9 81.92 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.353 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.63 4.04 52.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.552 0.215 . . . . 0.0 111.385 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -158.1 115.33 1.79 Allowed Pre-proline 0 C--N 1.332 -0.193 0 CA-C-N 116.709 -0.223 . . . . 0.0 110.661 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -50.43 125.58 15.66 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.435 2.09 . . . . 0.0 112.53 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -139.74 136.86 34.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.717 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.59 160.12 33.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.047 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -57.34 -48.4 79.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.857 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.28 -40.82 74.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.62 -179.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 74.0 m -71.35 -39.27 71.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.825 0.345 . . . . 0.0 110.374 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 21.1 mt -59.58 -46.72 88.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.174 179.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -71.88 -35.26 69.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.412 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 7.3 tt -67.36 -51.72 48.8 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.895 0.378 . . . . 0.0 110.73 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.412 HD21 ' CD2' ' A' ' 177' ' ' PHE . 67.4 mt -62.96 -34.35 77.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.357 179.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . 0.402 ' O ' HG12 ' A' ' 124' ' ' ILE . . . -71.33 -52.47 13.09 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.075 179.387 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 36.2 t -54.17 -34.11 59.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.688 0.28 . . . . 0.0 111.231 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -71.71 -46.9 57.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.766 0.317 . . . . 0.0 110.616 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 11.3 m -59.79 -37.9 80.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.637 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.409 HD11 HG23 ' A' ' 124' ' ' ILE . 29.4 mm -63.23 -49.83 81.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.346 179.479 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . 0.426 ' HA ' ' CE1' ' A' ' 162' ' ' HIS . 4.7 tp60 -57.01 -38.35 72.98 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.718 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 41.3 t -78.77 -23.63 45.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.264 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.69 -43.05 19.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.979 0.419 . . . . 0.0 111.183 -179.147 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.423 HD13 ' CE1' ' A' ' 144' ' ' PHE . 1.3 mp -111.49 1.01 16.7 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.293 -178.2 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.244 0 C-N-CA 120.376 -0.916 . . . . 0.0 112.554 179.768 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . 0.422 ' CG1' ' CD1' ' A' ' 146' ' ' LEU . 12.1 t . . . . . 0 CA--C 1.528 0.114 0 CA-C-O 120.853 0.358 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 20.2 p -62.44 -14.11 37.19 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.652 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.29 -26.65 19.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.771 0.32 . . . . 0.0 110.926 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' PHE . . . . . 0.423 ' CE1' HD13 ' A' ' 128' ' ' LEU . 82.9 m-85 -94.14 123.53 37.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.018 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.36 93.0 4.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.072 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . 0.422 ' CD1' ' CG1' ' A' ' 141' ' ' VAL . 6.9 mt -86.67 -24.11 25.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.156 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -169.23 165.36 6.62 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.147 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -72.02 -30.55 13.5 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.583 2.189 . . . . 0.0 112.351 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -121.95 63.91 0.92 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -69.45 117.92 11.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 7.6 t -113.36 163.59 14.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.18 -43.68 10.26 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.317 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -54.27 48.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.846 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 42.6 tp -61.55 -40.73 95.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.524 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.65 -53.93 52.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.737 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -55.66 -49.21 73.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.073 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.52 -34.13 68.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.514 -178.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 49.8 t -67.01 -51.03 58.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.882 0.372 . . . . 0.0 111.062 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 14.2 mtm -67.62 -43.05 81.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.092 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -59.71 -53.4 58.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 30.4 mt -56.76 -40.14 75.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.812 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 162' ' ' HIS . . . . . 0.426 ' CE1' ' HA ' ' A' ' 125' ' ' GLN . 3.4 t-160 -56.55 -56.1 25.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.927 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 2.8 mtpm? -69.02 -29.14 67.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.035 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 3.6 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.25 -179.788 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 16.6 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.687 0.28 . . . . 0.0 110.666 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.71 -52.54 8.27 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.408 2.072 . . . . 0.0 111.782 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -51.77 -39.66 58.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.343 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.81 -43.02 85.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.702 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -68.67 -46.93 67.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.82 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -57.33 -42.6 82.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.704 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 175' ' ' LEU . . . . . 0.411 ' HG ' ' HG3' ' A' ' 179' ' ' GLU . 13.3 tp -72.33 -28.12 62.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.238 179.603 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -64.67 -54.16 36.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.888 -179.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 177' ' ' PHE . . . . . 0.412 ' CD2' HD21 ' A' ' 119' ' ' LEU . 14.2 t80 -70.57 -43.06 70.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.616 -0.265 . . . . 0.0 110.9 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 24.3 mt -59.88 -42.19 93.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.85 0.357 . . . . 0.0 110.611 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 179' ' ' GLU . . . . . 0.411 ' HG3' ' HG ' ' A' ' 175' ' ' LEU . 3.4 mm-40 -68.51 -32.7 72.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.648 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -72.34 -49.77 31.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.49 179.552 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -62.36 -37.92 87.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.026 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -69.34 -35.01 75.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.712 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.52 -18.23 63.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 179.536 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.3 mp -104.93 -17.24 14.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.591 -179.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.76 38.84 6.59 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.85 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 13.0 ptm -94.57 17.7 12.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.25 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 187' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.884 179.952 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.917 0.389 . . . . 0.0 110.664 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.54 -47.85 30.4 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.001 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 46.5 mm -61.29 -47.44 93.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.898 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 8.4 t -61.86 -50.4 72.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.736 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -54.84 -51.11 66.9 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.372 -179.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -51.89 -53.29 42.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.842 0.353 . . . . 0.0 110.982 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -63.16 -41.24 99.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.747 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.41 HD23 ' CE2' ' A' ' 187' ' ' TYR . 5.5 tp -56.56 -55.42 34.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.101 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.2 m -55.87 -42.62 76.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.994 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 82.5 mt -59.72 -37.85 80.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.958 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -72.2 -40.97 67.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.019 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.421 HD11 ' CD1' ' A' ' 187' ' ' TYR . 6.5 mt -70.18 -39.52 75.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.263 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.47 -34.8 70.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.696 -179.345 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -71.74 -38.84 70.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.865 0.364 . . . . 0.0 110.872 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -67.5 -41.98 83.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.061 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 20.4 mt -63.4 -50.26 79.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.183 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 30.9 m -58.5 -32.51 45.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.494 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -82.23 -2.87 53.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.654 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 68.0 33.63 79.69 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.386 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -83.41 2.29 37.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.53 0.205 . . . . 0.0 111.453 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -152.07 134.59 8.8 Favored Pre-proline 0 C--N 1.332 -0.166 0 CA-C-O 120.533 0.206 . . . . 0.0 110.666 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.79 124.8 10.99 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.478 2.118 . . . . 0.0 112.375 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 76.3 m -139.49 168.25 20.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.701 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.6 m -102.58 166.71 10.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.086 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -58.37 -49.58 76.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.14 -49.9 72.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.629 -178.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 85.7 m -62.83 -44.7 95.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.851 0.357 . . . . 0.0 110.542 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 33.9 mt -53.25 -45.33 68.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.416 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -72.77 -34.31 66.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.657 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 7.5 tt -68.86 -52.14 32.91 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.839 0.352 . . . . 0.0 111.072 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 24.6 mt -64.37 -34.11 77.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.084 0.469 . . . . 0.0 110.371 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -71.16 -51.79 16.45 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.741 -0.742 . . . . 0.0 111.825 179.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 19.2 p -55.2 -33.27 62.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.712 0.292 . . . . 0.0 111.135 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.406 ' CE1' ' OE1' ' A' ' 176' ' ' GLU . 8.6 m-85 -71.62 -47.05 57.17 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.832 0.348 . . . . 0.0 110.67 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 23.3 m -57.86 -40.2 79.57 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.615 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.405 HD13 HG21 ' A' ' 124' ' ' ILE . 32.0 mm -62.52 -48.59 87.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.159 179.346 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . 0.415 ' HA ' ' CE1' ' A' ' 162' ' ' HIS . 5.0 tp-100 -56.8 -40.19 75.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.607 179.592 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.75 -24.18 44.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.495 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.37 -41.47 21.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.935 0.398 . . . . 0.0 111.421 -178.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.1 mp -114.61 2.14 14.44 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.356 -178.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.507 0 C-N-CA 120.397 -0.906 . . . . 0.0 112.443 179.8 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 12.2 t . . . . . 0 CA--C 1.529 0.17 0 CA-C-O 120.645 0.259 . . . . 0.0 111.563 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 17.0 p -61.88 -14.16 31.31 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.652 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.76 -25.99 17.93 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.802 0.334 . . . . 0.0 110.875 179.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -93.05 124.67 37.19 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.33 91.57 6.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.16 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 4.7 mt -82.54 -22.23 35.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.059 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -175.85 166.02 1.8 Allowed Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.995 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.45 -47.47 3.06 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.515 2.143 . . . . 0.0 112.244 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 -105.58 69.56 0.84 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.811 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -76.13 119.55 20.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.963 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 1.6 t -116.07 163.19 16.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 12.3 pttt -45.52 -42.64 11.04 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.379 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -58.07 -52.4 65.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.798 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 57.1 tp -63.21 -38.97 93.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.474 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -61.48 -54.22 46.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.652 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -55.94 -48.26 76.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.056 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 12.9 tptt -57.7 -36.75 72.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.537 -179.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 55.7 t -66.99 -52.4 44.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.789 0.328 . . . . 0.0 111.228 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 60.0 mtm -66.42 -40.49 89.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.197 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -63.76 -47.04 82.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.002 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 55.8 mt -60.34 -41.15 92.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.968 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 162' ' ' HIS . . . . . 0.415 ' CE1' ' HA ' ' A' ' 125' ' ' GLN . 3.3 t-160 -58.86 -56.79 17.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.024 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 11.0 tttt -67.34 -31.61 71.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.081 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 20.5 t . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.294 -179.836 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 1.9 p . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.64 0.257 . . . . 0.0 110.637 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -51.24 -52.38 9.18 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.521 2.147 . . . . 0.0 111.845 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -52.26 -40.96 62.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.362 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -57.82 -42.19 83.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.624 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -71.51 -39.84 70.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.58 179.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -61.26 -43.29 99.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.456 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 14.4 tp -72.51 -37.29 68.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.568 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 176' ' ' GLU . . . . . 0.406 ' OE1' ' CE1' ' A' ' 122' ' ' TYR . 31.2 mt-10 -59.91 -53.84 53.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 0.0 112.174 -178.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -69.21 -46.74 66.68 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.976 -0.29 . . . . 0.0 110.581 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 27.9 mt -58.14 -38.71 77.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.027 0.441 . . . . 0.0 110.27 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -68.76 -33.01 73.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.769 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -73.66 -49.72 24.53 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.431 179.512 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -62.99 -38.14 89.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.663 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 6.0 tttt -66.09 -39.11 89.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.637 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -16.99 63.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.011 179.662 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.1 mp -109.07 -12.05 14.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.67 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 1.3 t 65.25 74.21 0.39 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.912 0.387 . . . . 0.0 110.974 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 31.7 mtp -102.48 -27.23 12.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.841 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 187' ' ' TYR . . . . . 0.421 ' CD1' HD11 ' A' ' 100' ' ' LEU . 2.5 p90 . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 . . . . . 0 N--CA 1.46 0.071 0 CA-C-O 120.995 0.426 . . . . 0.0 110.724 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.6 -47.5 47.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.768 179.22 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 40.7 mm -62.36 -49.31 84.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.196 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 12.4 t -57.87 -50.99 71.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.278 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.47 -47.81 72.52 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.559 0.219 . . . . 0.0 111.498 -179.005 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -55.24 -53.38 56.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.9 0.381 . . . . 0.0 110.715 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -65.65 -28.22 68.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.023 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.415 HD23 ' CE2' ' A' ' 187' ' ' TYR . 6.0 tp -68.91 -55.3 11.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.655 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -56.74 -37.45 71.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.709 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 41.9 mt -61.44 -49.58 76.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.749 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -64.91 -48.58 73.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.406 HD13 ' CE1' ' A' ' 187' ' ' TYR . 1.0 OUTLIER -59.61 -46.37 89.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.2 -28.66 69.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.087 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -71.18 -44.24 65.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.022 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.47 -36.63 79.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.108 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 9.7 mt -68.69 -54.35 21.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.302 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 29.4 m -61.01 -32.23 52.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.477 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.77 -3.06 42.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.585 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 64.82 45.9 91.2 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.332 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 16.8 mtt180 -104.07 7.62 36.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.555 0.217 . . . . 0.0 111.338 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -155.9 110.65 2.14 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.679 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -49.56 132.63 30.67 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.513 2.142 . . . . 0.0 112.573 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -145.64 168.29 21.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.739 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.41 159.48 14.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.082 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -56.42 -47.91 78.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.968 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.23 -42.48 77.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.621 -179.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 74.9 m -69.12 -40.04 78.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.859 0.361 . . . . 0.0 110.357 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 38.4 mt -59.22 -48.82 80.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.298 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -68.59 -36.27 78.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.362 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.419 ' HG ' ' CE2' ' A' ' 122' ' ' TYR . 6.2 tt -66.57 -51.74 53.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.929 0.395 . . . . 0.0 110.738 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.452 ' CD2' ' CD2' ' A' ' 177' ' ' PHE . 62.3 mt -60.24 -34.27 73.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.409 179.682 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . 0.414 ' O ' HG12 ' A' ' 124' ' ' ILE . . . -71.52 -52.33 13.17 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.367 179.442 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 9.2 m -53.45 -35.46 60.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.596 0.236 . . . . 0.0 111.552 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.435 ' CE2' ' HB3' ' A' ' 176' ' ' GLU . 17.3 m-85 -74.43 -44.4 52.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.741 0.305 . . . . 0.0 110.826 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 30.2 m -61.74 -40.6 95.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.459 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.414 HG12 ' O ' ' A' ' 120' ' ' GLY . 28.3 mm -63.09 -48.89 85.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.344 179.548 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . 0.417 ' OE1' ' CD2' ' A' ' 162' ' ' HIS . 4.0 tp60 -57.98 -37.21 73.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.708 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 16.8 m -78.72 -24.51 44.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.209 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.32 -43.11 19.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.196 -179.227 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -110.3 0.74 18.17 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.967 -0.56 . . . . 0.0 112.197 -178.385 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 C-N-CA 120.34 -0.933 . . . . 0.0 112.59 179.838 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 5.0 t . . . . . 0 CA--C 1.528 0.129 0 CA-C-O 120.689 0.281 . . . . 0.0 111.337 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.36 -14.61 41.72 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.414 179.673 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.91 -28.63 24.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.871 0.367 . . . . 0.0 110.782 179.697 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -109.12 119.36 39.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.75 99.18 8.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.059 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 1.4 mt -92.04 -15.38 27.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.209 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -162.47 155.67 17.17 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 120.738 0.304 . . . . 0.0 111.138 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.49 -49.45 1.75 Allowed 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.531 2.154 . . . . 0.0 112.232 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -104.07 68.91 0.92 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.718 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -72.6 116.88 13.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.102 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -113.21 161.98 16.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.776 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -44.85 -42.16 7.72 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.312 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -57.81 -52.1 66.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 28.3 tp -61.58 -46.71 88.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.479 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.74 -52.5 64.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.754 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -53.1 -53.6 47.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.94 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -57.37 -29.18 63.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.139 -179.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 58.9 t -67.03 -51.66 51.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.945 0.402 . . . . 0.0 110.616 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 8.3 mtt -68.24 -42.84 79.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.808 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -57.61 -51.12 70.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.82 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 28.4 mt -60.59 -38.67 85.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.684 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 162' ' ' HIS . . . . . 0.417 ' CD2' ' OE1' ' A' ' 125' ' ' GLN . 5.0 t-160 -62.63 -56.66 15.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.702 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 12.4 ttmt -61.64 -33.91 74.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.763 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 7.1 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.23 -179.803 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 18.2 p . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.675 0.274 . . . . 0.0 110.625 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_endo -50.31 -53.97 6.22 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.534 2.156 . . . . 0.0 111.823 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -52.95 -39.92 63.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.231 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.67 -39.55 77.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.567 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -74.2 -43.26 57.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.649 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.46 -42.85 92.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.518 179.534 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 14.6 tp -72.34 -31.82 65.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.179 179.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 176' ' ' GLU . . . . . 0.435 ' HB3' ' CE2' ' A' ' 122' ' ' TYR . 18.0 mm-40 -60.63 -53.67 54.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.839 -179.182 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 177' ' ' PHE . . . . . 0.452 ' CD2' ' CD2' ' A' ' 119' ' ' LEU . 14.1 t80 -70.59 -46.51 63.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.669 0.271 . . . . 0.0 110.764 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 42.4 mt -58.65 -41.92 87.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.829 0.347 . . . . 0.0 110.638 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -68.14 -32.57 72.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.647 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.03 -49.78 41.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.154 179.279 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -61.18 -38.03 85.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.723 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.93 -34.39 76.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.614 179.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.87 -19.98 65.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.014 179.628 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.2 mp -104.56 14.26 30.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.676 -179.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 53.58 34.35 18.39 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.816 0.341 . . . . 0.0 111.084 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 6.6 mmm -59.1 -36.22 74.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.963 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 187' ' ' TYR . . . . . 0.415 ' CE2' HD23 ' A' ' 96' ' ' LEU . 11.8 p90 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.255 -0.878 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.401 ' O ' HG22 ' A' ' 92' ' ' THR . 3.3 mt-10 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.843 0.354 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -74.38 -47.8 31.92 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 46.8 mm -59.19 -45.1 93.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.065 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.423 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 7.8 t -65.28 -49.94 67.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.074 -179.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 34.9 ttm180 -54.45 -51.13 65.96 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.552 -178.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -56.26 -54.59 43.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.903 0.382 . . . . 0.0 110.818 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -61.37 -28.52 69.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.987 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.423 ' HB2' ' O ' ' A' ' 92' ' ' THR . 5.5 tp -68.1 -55.45 12.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.892 0.377 . . . . 0.0 110.669 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 2.6 t -53.8 -40.4 66.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.772 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 95.6 mt -61.07 -46.99 88.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.672 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -64.8 -47.43 78.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.412 HD13 ' CE2' ' A' ' 187' ' ' TYR . 6.0 mt -58.24 -45.78 87.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.81 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.2 ttm-85 -66.48 -28.51 68.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.259 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -71.19 -44.28 65.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.235 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -70.96 -45.75 63.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.293 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 16.3 mt -58.36 -54.19 36.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.423 -179.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 29.1 m -56.24 -32.41 34.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.639 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -84.3 -1.95 56.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.559 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 69.43 32.88 71.91 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.602 -0.808 . . . . 0.0 112.339 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -83.26 1.35 41.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.55 0.214 . . . . 0.0 111.467 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.1 tt -151.26 130.09 6.31 Favored Pre-proline 0 C--N 1.332 -0.187 0 CA-C-O 120.509 0.195 . . . . 0.0 110.656 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.94 125.98 12.68 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.401 2.068 . . . . 0.0 112.425 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 1.6 m -138.75 168.34 20.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.565 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.5 p -100.21 164.38 11.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.127 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -57.4 -50.69 72.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.857 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.26 -45.02 80.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.641 -179.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 94.6 m -66.28 -42.64 88.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.836 0.351 . . . . 0.0 110.623 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 38.5 mt -56.52 -48.28 77.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.291 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.01 -35.82 77.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.446 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 5.9 tt -66.42 -51.73 53.96 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.882 0.372 . . . . 0.0 110.762 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.419 HD22 ' CE2' ' A' ' 177' ' ' PHE . 55.5 mt -60.99 -34.05 74.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.386 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -71.14 -52.49 13.49 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.044 179.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 10.0 t -53.57 -33.39 54.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.641 0.258 . . . . 0.0 111.295 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.411 ' CE1' ' OE1' ' A' ' 176' ' ' GLU . 9.7 m-85 -72.91 -47.58 44.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.81 0.338 . . . . 0.0 110.725 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 79.7 m -59.85 -35.32 74.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.568 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.417 HG21 ' CE1' ' A' ' 162' ' ' HIS . 32.0 mm -66.38 -51.09 62.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.492 179.573 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -57.97 -36.17 72.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.778 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.12 -23.55 47.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.025 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.15 -46.51 12.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.287 -179.356 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -106.93 1.38 24.49 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.045 -0.525 . . . . 0.0 112.227 -178.555 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 0.249 0 C-N-CA 120.374 -0.917 . . . . 0.0 112.769 179.732 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 3.2 t . . . . . 0 CA--C 1.529 0.148 0 CA-C-O 120.631 0.253 . . . . 0.0 111.565 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.3 m -61.57 -14.17 27.81 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.767 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 32.5 p30 -95.27 -24.5 16.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.765 0.317 . . . . 0.0 110.841 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -87.5 128.0 35.24 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.928 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.87 88.49 7.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 4.1 mt -90.04 -22.06 22.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.207 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -170.17 163.08 6.37 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.211 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.56 -40.1 3.16 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.625 2.217 . . . . 0.0 112.265 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -108.61 70.42 0.75 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.753 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -80.91 114.99 20.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.211 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 2.2 p -114.99 168.35 9.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.645 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -47.94 -36.57 12.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.633 179.616 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -61.75 -57.02 13.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.723 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 26.6 tp -60.69 -42.37 97.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.422 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -59.66 -53.84 53.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.632 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -54.15 -51.27 64.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.008 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -57.54 -31.95 66.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.229 -179.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 90.2 t -67.13 -50.36 64.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.825 0.345 . . . . 0.0 110.713 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 11.5 mtt -68.17 -40.67 82.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -58.08 -55.14 38.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 25.7 mt -60.57 -35.27 75.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.695 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 162' ' ' HIS . . . . . 0.417 ' CE1' HG21 ' A' ' 124' ' ' ILE . 15.8 t-160 -60.27 -53.87 52.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.706 179.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 15.4 tttt -71.67 -29.09 64.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.897 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 18.2 p . . . . . 0 C--N 1.331 -0.222 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 -179.941 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.527 0.094 0 CA-C-O 120.706 0.289 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.99 -47.95 13.81 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.535 2.157 . . . . 0.0 112.089 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -50.4 -41.28 51.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.345 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -57.8 -45.2 86.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.638 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -67.92 -41.96 81.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.613 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -60.66 -42.91 97.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.438 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 15.4 tp -72.59 -32.71 66.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.325 179.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 176' ' ' GLU . . . . . 0.411 ' OE1' ' CE1' ' A' ' 122' ' ' TYR . 28.7 mt-10 -61.13 -52.7 63.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.985 -179.004 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 177' ' ' PHE . . . . . 0.419 ' CE2' HD22 ' A' ' 119' ' ' LEU . 10.0 t80 -71.25 -45.44 63.22 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.973 -0.291 . . . . 0.0 110.541 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 89.3 mt -58.48 -41.97 86.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.01 0.433 . . . . 0.0 110.38 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -68.51 -32.24 72.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.765 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -71.31 -49.9 37.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.13 179.369 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -61.92 -37.9 86.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.801 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.05 -37.85 86.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.645 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.83 -18.25 65.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.008 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.1 mp -107.9 -3.15 19.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.876 -179.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 1.4 m 61.2 38.01 17.03 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.824 0.345 . . . . 0.0 110.947 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 27.6 mmm -63.45 -21.54 66.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 187' ' ' TYR . . . . . 0.412 ' CE2' HD13 ' A' ' 100' ' ' LEU . 9.0 m-85 . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.251 -0.88 . . . . 0.0 110.897 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.907 0.384 . . . . 0.0 110.529 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -75.95 -47.8 23.71 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 178.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 42.1 mm -60.95 -45.11 99.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.058 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.422 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 10.7 t -63.34 -51.44 65.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.27 -179.469 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 5.2 ttm180 -54.41 -50.22 68.1 Favored 'General case' 0 C--O 1.231 0.099 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 -178.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -55.32 -54.64 41.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.936 0.398 . . . . 0.0 110.841 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -63.25 -28.27 69.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.174 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.422 ' HB2' ' O ' ' A' ' 92' ' ' THR . 5.5 tp -67.11 -55.39 14.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.939 0.4 . . . . 0.0 110.87 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 56.3 m -58.26 -35.51 71.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.644 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 23.4 mt -62.45 -46.66 87.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.261 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.429 ' HA ' ' HG2' ' A' ' 102' ' ' GLN . 10.2 pt20 -68.78 -38.14 79.79 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.809 0.338 . . . . 0.0 111.253 -179.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.424 HD12 ' CE2' ' A' ' 187' ' ' TYR . 6.8 mt -70.15 -42.05 73.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.248 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.39 -33.28 69.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.839 -179.178 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.429 ' HG2' ' HA ' ' A' ' 99' ' ' GLN . 6.1 pt20 -71.94 -38.33 69.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.878 0.371 . . . . 0.0 110.786 179.539 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.29 -46.09 68.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.163 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 18.7 mt -60.41 -51.73 69.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.303 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 30.8 m -58.91 -32.16 46.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.754 0.312 . . . . 0.0 111.404 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -77.63 -2.48 36.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.615 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 69.45 32.33 71.58 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.627 -0.796 . . . . 0.0 112.465 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 55.1 mmm-85 -98.7 3.08 47.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.538 0.209 . . . . 0.0 111.411 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -144.0 130.72 10.28 Favored Pre-proline 0 C--N 1.332 -0.181 0 CA-C-N 116.731 -0.213 . . . . 0.0 110.63 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -74.22 121.71 7.05 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.46 2.107 . . . . 0.0 112.482 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -140.16 168.24 20.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.685 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -101.72 164.83 11.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.928 0.394 . . . . 0.0 111.035 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.419 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 52.9 t80 -58.99 -51.05 71.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.828 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.2 -41.55 75.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.534 -179.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 99.6 m -69.57 -39.17 77.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.831 0.348 . . . . 0.0 110.294 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 18.1 mt -59.49 -48.64 80.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.176 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -68.8 -35.92 77.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.514 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.421 ' HG ' ' CE2' ' A' ' 122' ' ' TYR . 7.0 tt -68.28 -51.95 39.2 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.906 0.384 . . . . 0.0 110.931 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.439 ' CD2' ' CD2' ' A' ' 177' ' ' PHE . 21.8 mt -60.03 -34.24 73.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.369 179.637 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -71.33 -50.69 20.41 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.111 179.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 40.0 m -53.56 -36.07 61.48 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.645 0.239 . . . . 0.0 111.645 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.435 ' CE2' ' HB3' ' A' ' 176' ' ' GLU . 22.9 m-85 -74.94 -44.39 48.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.829 0.347 . . . . 0.0 110.89 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 61.5 m -62.44 -42.01 99.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.649 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 25.0 mm -62.67 -49.61 83.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.602 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . 0.409 ' O ' ' CA ' ' A' ' 129' ' ' GLY . 3.3 tm0? -59.29 -36.44 75.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.756 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 5.4 p -78.96 -26.54 43.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.162 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -80.14 -40.9 26.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.146 -179.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.1 mp -111.35 0.35 16.62 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.213 -178.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.409 ' CA ' ' O ' ' A' ' 125' ' ' GLN . . . . . . . . 0 N--CA 1.448 -0.558 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.505 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 22.0 t . . . . . 0 CA--C 1.529 0.172 0 CA-C-O 120.617 0.246 . . . . 0.0 111.45 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 29.9 m -61.56 -14.18 27.76 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.805 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.77 -28.43 21.71 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.785 0.326 . . . . 0.0 110.838 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -93.33 123.19 36.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.94 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 8.8 mtmt -78.43 96.16 5.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.103 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 3.6 mt -86.14 -21.04 27.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.101 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -176.07 166.94 1.65 Allowed Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.033 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -68.46 -46.96 1.68 Allowed 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.52 2.146 . . . . 0.0 112.297 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -103.08 71.37 1.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -78.13 121.22 24.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.948 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 3.4 p -120.1 166.87 12.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.917 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.52 -35.33 12.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.688 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . 0.419 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -62.5 -57.74 10.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.63 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 45.8 tp -59.34 -44.23 92.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.404 179.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -59.22 -53.93 52.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.675 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -54.99 -49.91 70.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.949 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 14.4 tptt -57.49 -32.02 66.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.187 -179.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 57.3 t -67.08 -52.76 40.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.891 0.377 . . . . 0.0 111.022 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 11.0 mtm -67.95 -42.67 80.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.145 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -57.03 -55.16 38.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.053 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 23.4 mt -59.6 -37.56 78.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.821 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -54.49 -53.66 51.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.992 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.37 -25.09 46.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.058 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 10.4 t . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.219 -179.741 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 169' ' ' THR . . . . . 0.4 ' HB ' ' HD2' ' A' ' 170' ' ' PRO . 69.4 p . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.651 0.262 . . . . 0.0 110.617 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . 0.4 ' HD2' ' HB ' ' A' ' 169' ' ' THR . 6.6 Cg_endo -48.85 -52.86 7.88 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.609 2.206 . . . . 0.0 112.174 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -50.41 -41.12 51.81 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.456 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -57.81 -45.57 85.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.719 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -65.18 -43.54 91.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.656 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -60.62 -42.38 96.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.282 0.563 . . . . 0.0 110.64 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 14.7 tp -72.59 -34.48 67.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.419 -0.809 . . . . 0.0 111.411 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 176' ' ' GLU . . . . . 0.435 ' HB3' ' CE2' ' A' ' 122' ' ' TYR . 30.5 mm-40 -60.16 -54.33 47.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.992 -178.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 177' ' ' PHE . . . . . 0.439 ' CD2' ' CD2' ' A' ' 119' ' ' LEU . 16.5 t80 -68.59 -46.89 68.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.611 0.243 . . . . 0.0 110.635 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 35.6 mt -58.43 -38.36 77.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.057 0.456 . . . . 0.0 110.333 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.12 -33.85 75.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.827 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -73.6 -49.74 24.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.446 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -60.81 -37.83 83.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.577 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 10.4 mttm -67.55 -39.03 84.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.046 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 9.6 mtpt -77.76 -22.01 50.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.129 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.3 mt -91.08 -8.53 48.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.359 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 63.57 71.32 0.5 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.885 0.374 . . . . 0.0 110.886 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 28.6 mmm -108.42 -26.69 10.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.956 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 187' ' ' TYR . . . . . 0.424 ' CE2' HD12 ' A' ' 100' ' ' LEU . 11.8 m-85 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.918 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.4 ' O ' HG22 ' A' ' 92' ' ' THR . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.896 0.379 . . . . 0.0 110.947 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -71.86 -48.43 46.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.201 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 17.7 mt -67.3 -46.15 84.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.127 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.407 ' CG2' ' N ' ' A' ' 93' ' ' ARG . 7.1 t -55.86 -51.84 66.13 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 121.036 -0.266 . . . . 0.0 110.674 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.407 ' N ' ' CG2' ' A' ' 92' ' ' THR . 2.9 ttp180 -54.94 -46.44 74.98 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-O 120.778 0.323 . . . . 0.0 110.896 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -52.48 -55.2 23.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.976 0.417 . . . . 0.0 110.868 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -67.98 -28.4 67.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.249 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 7.5 tp -67.9 -52.2 39.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.842 0.353 . . . . 0.0 110.616 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 9.0 m -58.69 -44.05 90.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.678 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 71.9 mt -57.84 -42.08 83.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -67.96 -47.99 67.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.086 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.415 HD13 ' CD1' ' A' ' 187' ' ' TYR . 4.2 mt -61.79 -45.45 93.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.935 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -28.34 68.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.08 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -71.3 -38.39 71.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.932 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -71.03 -40.13 71.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 11.2 mt -64.01 -49.74 80.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.147 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 27.2 m -61.16 -32.21 52.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.497 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -80.93 -4.35 54.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.467 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 69.1 31.57 72.24 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.46 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 5.2 mtm-85 -86.21 2.82 45.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.564 0.221 . . . . 0.0 111.413 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -155.94 118.35 2.3 Favored Pre-proline 0 C--N 1.332 -0.159 0 CA-C-O 120.496 0.189 . . . . 0.0 110.769 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.7 126.85 23.21 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.508 2.139 . . . . 0.0 112.438 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -141.06 168.34 20.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.676 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 7.6 p -101.9 161.2 13.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.103 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -57.33 -47.78 80.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.85 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.25 -40.75 74.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.568 -179.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 78.5 m -71.27 -38.34 71.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.882 0.372 . . . . 0.0 110.344 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 26.3 mt -60.31 -47.55 85.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.168 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -71.12 -35.27 71.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.523 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 6.6 tt -68.76 -51.92 35.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.847 0.356 . . . . 0.0 110.851 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.461 ' CD2' ' CD2' ' A' ' 177' ' ' PHE . 68.1 mt -61.77 -34.12 75.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.269 179.61 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -71.28 -49.79 24.71 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.747 -0.74 . . . . 0.0 111.786 179.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 49.8 m -53.44 -36.84 62.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.623 0.249 . . . . 0.0 111.49 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.444 ' CE2' ' HB3' ' A' ' 176' ' ' GLU . 24.7 m-85 -72.81 -46.0 55.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.744 0.307 . . . . 0.0 110.788 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 70.1 m -59.96 -39.3 85.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.684 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 32.2 mm -63.76 -49.51 81.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.532 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . 0.416 ' HA ' ' CE1' ' A' ' 162' ' ' HIS . 17.5 tm0? -59.48 -36.23 75.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.76 -27.53 44.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.145 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.34 -43.89 22.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.161 -179.373 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.3 mt -107.23 0.89 23.57 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.023 -178.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.414 ' CA ' ' O ' ' A' ' 125' ' ' GLN . . . . . . . . 0 N--CA 1.449 -0.453 0 C-N-CA 120.391 -0.909 . . . . 0.0 112.458 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 6.2 t . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.817 0.341 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.71 -14.39 43.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.506 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -93.09 -25.66 17.8 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.809 0.338 . . . . 0.0 110.825 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -98.81 120.09 38.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 21.2 mttt -78.46 94.57 4.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.006 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 1.3 mt -97.61 -25.73 15.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.104 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -162.34 167.96 11.53 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.218 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -74.43 -69.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.861 2.374 . . . . 0.0 112.33 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -86.4 74.63 9.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -76.43 118.04 18.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.97 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 3.3 p -116.88 170.34 8.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.826 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.29 -35.83 19.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.603 179.639 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -57.59 10.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.706 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 39.1 tp -60.68 -42.08 96.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.342 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -59.88 -53.99 51.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.59 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -55.47 -49.02 73.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 3.4 tptp -57.55 -32.91 67.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.159 -179.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 60.9 t -67.04 -49.6 71.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.857 0.36 . . . . 0.0 110.851 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 11.9 mtt -68.33 -41.01 81.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.057 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -61.38 -52.76 63.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.959 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 13.5 mt -57.62 -42.3 83.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.082 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 162' ' ' HIS . . . . . 0.416 ' CE1' ' HA ' ' A' ' 125' ' ' GLN . 3.4 t-160 -54.61 -56.71 16.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.101 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 6.6 mtpp -71.32 -25.09 62.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 45.5 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.27 -179.763 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 23.5 p . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.656 0.265 . . . . 0.0 110.716 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.22 -52.17 9.34 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.42 2.08 . . . . 0.0 111.723 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -49.99 -43.27 50.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.427 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -58.1 -47.8 82.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.697 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -61.34 -44.69 96.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.545 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.43 -39.88 77.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.511 179.458 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 7.9 tp -72.58 -37.11 68.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.5 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 176' ' ' GLU . . . . . 0.444 ' HB3' ' CE2' ' A' ' 122' ' ' TYR . 64.1 mm-40 -58.69 -54.82 42.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.313 -0.403 . . . . 0.0 112.063 -178.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 177' ' ' PHE . . . . . 0.461 ' CD2' ' CD2' ' A' ' 119' ' ' LEU . 11.3 t80 -70.01 -43.89 70.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.62 0.248 . . . . 0.0 110.823 -179.699 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 21.6 mt -60.16 -40.08 88.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.871 0.367 . . . . 0.0 110.62 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -69.43 -33.04 72.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.78 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -72.39 -49.84 30.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.091 179.447 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -61.52 -37.9 85.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.618 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.97 -33.7 74.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.679 179.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -19.64 64.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.041 179.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.2 mp -103.64 -13.55 16.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.765 -179.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 2.6 m 62.89 73.79 0.45 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.83 0.348 . . . . 0.0 110.892 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 20.4 mtp -103.21 -26.98 12.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 187' ' ' TYR . . . . . 0.415 ' CD1' HD13 ' A' ' 100' ' ' LEU . 4.1 p90 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.909 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.409 ' O ' HG22 ' A' ' 92' ' ' THR . 2.5 mp0 . . . . . 0 N--CA 1.46 0.04 0 CA-C-O 120.982 0.42 . . . . 0.0 110.705 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.96 -47.8 42.25 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.072 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 42.1 mm -61.06 -45.32 98.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.285 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.414 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 9.7 t -64.05 -51.13 65.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.241 -179.4 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -54.34 -48.54 71.3 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 120.552 0.215 . . . . 0.0 111.572 -178.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -56.97 -52.51 64.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.928 0.394 . . . . 0.0 110.783 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -65.08 -28.28 69.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.241 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' A' ' 92' ' ' THR . 5.6 tp -70.22 -55.45 9.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.891 0.377 . . . . 0.0 110.838 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.7 m -55.67 -39.14 70.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.752 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 67.8 mt -63.11 -46.22 88.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.819 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -66.71 -48.63 68.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.977 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.0 mt -58.84 -48.08 82.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.75 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 6.3 ttp180 -64.49 -28.57 69.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.088 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.32 -38.5 71.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.963 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -70.94 -37.56 72.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.094 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 10.7 mt -66.58 -52.88 41.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.355 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 27.4 m -60.91 -32.04 51.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.621 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -79.24 -3.07 44.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.596 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 65.31 40.47 96.55 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.475 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.09 6.75 48.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.585 0.231 . . . . 0.0 111.328 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -156.12 138.15 10.03 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-O 120.603 0.239 . . . . 0.0 110.759 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.85 122.84 8.85 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.402 2.068 . . . . 0.0 112.414 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 11.4 m -137.48 168.25 20.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.632 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 88.6 p -104.06 161.23 14.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.092 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.44 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 43.9 t80 -56.82 -48.39 78.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.932 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.24 -44.72 79.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.629 -179.104 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 89.4 m -67.44 -39.94 85.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.836 0.35 . . . . 0.0 110.577 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 16.9 mt -58.43 -48.0 82.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.024 0.44 . . . . 0.0 110.141 179.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.39 -35.26 75.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.549 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.424 ' HG ' ' CE2' ' A' ' 122' ' ' TYR . 6.2 tt -69.14 -52.09 31.68 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.832 0.349 . . . . 0.0 111.027 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.421 HD23 ' CD2' ' A' ' 177' ' ' PHE . 20.7 mt -60.54 -34.15 73.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.324 179.668 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -71.3 -50.05 23.46 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.693 -0.765 . . . . 0.0 111.961 179.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 29.0 m -53.44 -36.36 61.48 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.656 0.243 . . . . 0.0 111.656 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.44 ' CE2' ' HB3' ' A' ' 176' ' ' GLU . 23.5 m-85 -74.23 -46.56 40.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.711 0.291 . . . . 0.0 110.938 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 84.1 m -58.94 -43.26 91.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.608 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 26.8 mm -61.89 -48.41 88.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.229 179.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . 0.43 ' HA ' ' CE1' ' A' ' 162' ' ' HIS . 5.3 tp60 -57.83 -38.48 75.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.771 179.669 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.83 -25.17 44.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.348 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -80.27 -41.47 24.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.219 -179.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.2 mp -113.05 1.63 15.41 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.308 -178.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 C-N-CA 120.368 -0.92 . . . . 0.0 112.554 179.715 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 21.4 t . . . . . 0 CA--C 1.528 0.114 0 CA-C-O 120.726 0.298 . . . . 0.0 111.444 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 28.1 t -64.09 -14.24 53.26 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.639 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -87.32 -26.77 23.24 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.763 0.316 . . . . 0.0 110.971 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -93.44 129.36 39.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.017 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -85.92 92.13 8.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.945 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 2.9 mt -92.6 -19.15 22.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.278 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -171.23 161.62 5.28 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.182 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.15 -41.13 2.78 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.542 2.162 . . . . 0.0 112.285 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -107.08 70.94 0.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.776 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -80.05 121.65 25.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.013 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 5.5 p -120.72 168.15 11.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.812 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.23 -33.41 19.47 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.589 179.758 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . 0.44 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 0.4 OUTLIER -63.51 -55.86 20.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.638 179.907 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 43.4 tp -62.54 -40.34 96.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.289 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -61.83 -53.91 49.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.67 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -54.74 -50.48 68.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.165 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 13.2 tptt -57.65 -34.68 69.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.369 -179.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 91.9 t -67.05 -51.82 50.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.806 0.336 . . . . 0.0 111.211 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 10.4 mtm -68.2 -41.21 81.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.316 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.22 -54.23 43.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.012 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 9.9 mt -56.79 -40.91 76.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.852 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 162' ' ' HIS . . . . . 0.43 ' CE1' ' HA ' ' A' ' 125' ' ' GLN . 3.2 t-160 -57.98 -54.55 45.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.723 179.718 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.12 -31.45 71.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.956 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.417 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 69.8 p . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.684 0.278 . . . . 0.0 110.656 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_exo -51.33 -54.34 5.57 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.4 2.067 . . . . 0.0 111.638 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -51.23 -42.62 61.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.414 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.79 -44.38 86.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.62 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -67.69 -45.06 76.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.606 179.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -58.28 -41.58 84.68 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.561 179.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 12.2 tp -72.47 -33.07 66.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.023 179.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 176' ' ' GLU . . . . . 0.44 ' HB3' ' CE2' ' A' ' 122' ' ' TYR . 23.0 mm-40 -59.43 -54.27 48.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.892 -179.104 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 177' ' ' PHE . . . . . 0.421 ' CD2' HD23 ' A' ' 119' ' ' LEU . 47.1 t80 -70.85 -43.6 68.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.671 -0.24 . . . . 0.0 110.988 -179.728 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 28.4 mt -61.28 -41.23 96.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.858 0.361 . . . . 0.0 110.705 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -69.08 -32.58 72.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.811 179.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -72.82 -49.8 28.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.273 179.416 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -61.81 -37.81 85.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.743 179.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 9.1 mttm -68.75 -35.99 77.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.745 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -77.54 -21.4 52.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.186 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.6 mt -93.03 -1.53 56.52 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.41 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.98 36.72 12.32 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.802 0.334 . . . . 0.0 110.911 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 31.6 mtp -71.01 -29.51 65.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 187' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.93 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.865 0.364 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.49 -47.71 39.12 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 179.178 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 49.6 mm -60.2 -46.46 94.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.979 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 9.3 t -63.87 -50.9 66.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.019 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -54.44 -51.11 66.0 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 120.537 0.208 . . . . 0.0 111.465 -179.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -54.18 -53.05 58.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.916 0.389 . . . . 0.0 110.736 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -64.13 -28.44 69.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.022 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.9 tp -69.28 -55.33 10.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.887 0.375 . . . . 0.0 110.643 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 72.7 m -52.82 -44.38 66.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.706 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 89.3 mt -62.56 -38.75 91.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.643 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.428 ' HA ' ' HG2' ' A' ' 102' ' ' GLN . 0.0 OUTLIER -65.89 -45.86 80.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.059 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -69.51 -33.59 73.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.009 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.29 -34.16 63.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.399 -179.578 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.428 ' HG2' ' HA ' ' A' ' 99' ' ' GLN . 10.5 pt20 -71.75 -38.49 70.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.75 0.31 . . . . 0.0 110.958 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -70.48 -44.31 67.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.216 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 35.3 mt -61.6 -54.31 36.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.425 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 35.1 m -57.1 -32.03 38.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.64 -0.254 . . . . 0.0 111.553 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -82.53 -3.83 56.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.508 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 66.83 38.26 92.86 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.585 -0.816 . . . . 0.0 112.426 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 14.9 ttt180 -91.3 4.1 53.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.557 0.217 . . . . 0.0 111.384 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 30.1 mt -152.16 138.9 12.18 Favored Pre-proline 0 C--N 1.332 -0.194 0 CA-C-O 120.66 0.267 . . . . 0.0 110.768 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.31 123.34 7.64 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.472 2.115 . . . . 0.0 112.409 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 66.7 m -139.94 168.26 20.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.739 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.0 162.72 12.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.083 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -56.84 -48.23 78.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.913 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.2 -47.51 78.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.664 -179.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 92.5 m -65.26 -41.8 93.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.859 0.362 . . . . 0.0 110.534 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 14.1 mt -56.78 -47.13 80.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.273 179.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.2 -35.32 73.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.553 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 8.0 tt -67.73 -51.78 45.25 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.874 0.368 . . . . 0.0 110.946 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.416 HD21 ' CD2' ' A' ' 177' ' ' PHE . 13.4 mt -62.06 -34.02 75.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.409 179.637 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -71.38 -52.02 14.75 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.028 179.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 58.8 p -54.01 -34.36 59.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.606 0.241 . . . . 0.0 111.389 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.432 ' CE1' ' HG3' ' A' ' 176' ' ' GLU . 14.8 m-85 -73.35 -46.66 47.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.797 0.332 . . . . 0.0 110.838 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 16.3 m -59.5 -39.35 83.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.641 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 28.5 mm -64.22 -49.25 82.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.405 179.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . 0.426 ' HA ' ' CE1' ' A' ' 162' ' ' HIS . 2.0 tp60 -59.76 -37.52 79.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.967 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.83 -28.9 44.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.844 0.354 . . . . 0.0 111.319 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -78.63 -41.37 31.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.296 -179.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.412 HD12 ' CE2' ' A' ' 144' ' ' PHE . 1.7 mt -109.77 0.52 18.88 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.04 -178.579 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.411 ' CA ' ' O ' ' A' ' 125' ' ' GLN . . . . . . . . 0 N--CA 1.449 -0.47 0 C-N-CA 120.468 -0.872 . . . . 0.0 112.448 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . 0.403 ' CG1' ' CD1' ' A' ' 146' ' ' LEU . 5.0 t . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.752 0.311 . . . . 0.0 111.234 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.25 -14.47 55.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.476 179.751 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -84.94 -30.56 24.2 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.822 0.344 . . . . 0.0 110.813 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' PHE . . . . . 0.412 ' CE2' HD12 ' A' ' 128' ' ' LEU . 90.7 m-85 -100.4 120.8 40.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.807 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 2.5 mttp -76.29 100.53 5.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.098 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . 0.403 ' CD1' ' CG1' ' A' ' 141' ' ' VAL . 1.0 OUTLIER -91.86 -21.14 20.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.049 179.917 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -170.63 161.81 5.94 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.072 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.1 -41.48 3.81 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.545 2.163 . . . . 0.0 112.385 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -107.64 70.66 0.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.812 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -79.31 120.14 23.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.013 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 2.9 p -118.13 169.25 9.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.815 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -49.53 -36.03 22.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.624 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -61.86 -59.92 4.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.665 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 43.2 tp -59.21 -41.17 87.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.497 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.16 -54.03 50.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.641 179.675 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -56.17 -48.39 76.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 14.1 tptt -57.51 -33.6 68.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 -179.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 60.5 t -67.07 -48.42 79.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.888 0.375 . . . . 0.0 110.842 179.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 8.3 mtt -68.28 -41.68 80.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.969 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.3 -46.28 90.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.824 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 56.4 mt -64.1 -42.34 96.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.828 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 162' ' ' HIS . . . . . 0.426 ' CE1' ' HA ' ' A' ' 125' ' ' GLN . 4.9 t-160 -56.26 -56.7 17.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.009 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.43 -26.96 62.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.973 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.071 -179.89 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.626 0.25 . . . . 0.0 110.716 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -53.42 -51.18 11.53 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.537 2.158 . . . . 0.0 111.967 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -50.71 -46.72 59.12 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.495 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -57.71 -50.76 72.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.806 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -59.91 -43.13 95.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.471 179.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -57.38 -37.93 73.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.322 179.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 1.3 tp -72.5 -37.43 68.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.439 179.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 176' ' ' GLU . . . . . 0.432 ' HG3' ' CE1' ' A' ' 122' ' ' TYR . 6.3 mm-40 -59.76 -54.62 44.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 112.217 -178.699 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 177' ' ' PHE . . . . . 0.416 ' CD2' HD21 ' A' ' 119' ' ' LEU . 15.0 t80 -70.02 -45.8 66.42 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.977 -0.289 . . . . 0.0 111.025 -179.572 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 17.9 mt -60.78 -38.54 85.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.855 0.36 . . . . 0.0 110.692 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -69.67 -32.71 71.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.648 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.68 -49.64 24.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.197 179.389 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -61.8 -37.79 85.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.693 179.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 10.7 ttpp -71.34 -32.62 68.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.702 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 13.3 mtpt -75.53 -20.96 58.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.076 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.5 mt -89.94 -16.44 29.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.225 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 11.9 m 67.25 42.72 2.2 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.902 0.382 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 42.9 mtp -72.39 -30.19 64.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.86 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 187' ' ' TYR . . . . . 0.408 ' CD1' ' N ' ' A' ' 187' ' ' TYR . 3.7 p90 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.926 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.404 ' O ' HG21 ' A' ' 92' ' ' THR . 3.5 tt0 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.725 0.298 . . . . 0.0 111.252 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -75.06 -49.02 21.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.878 0.37 . . . . 0.0 110.165 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 18.5 mt -65.07 -40.02 87.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.074 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.407 ' CG2' ' N ' ' A' ' 93' ' ' ARG . 6.2 t -62.85 -51.84 65.44 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.225 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.407 ' N ' ' CG2' ' A' ' 92' ' ' THR . 2.2 ttm105 -54.6 -49.01 71.46 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.735 0.303 . . . . 0.0 110.831 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -50.41 -58.98 4.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.958 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -59.43 -43.66 93.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.748 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.6 tp -51.67 -55.25 20.53 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.13 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.6 m -57.43 -39.79 76.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.864 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 64.5 mt -62.98 -46.74 86.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.07 -48.2 77.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.008 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.415 HD11 ' CE1' ' A' ' 187' ' ' TYR . 6.9 mt -56.24 -50.82 70.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.955 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 5.0 ttm180 -63.79 -28.57 69.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.162 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -71.34 -39.74 71.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.182 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -70.93 -35.48 72.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.229 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 9.2 mt -68.02 -52.39 39.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.444 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.403 HG23 ' N ' ' A' ' 106' ' ' ALA . 28.3 m -59.48 -31.96 47.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.667 -179.574 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.403 ' N ' HG23 ' A' ' 105' ' ' VAL . . . -81.95 -2.1 50.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.588 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 68.57 34.26 78.41 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.583 -0.817 . . . . 0.0 112.331 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.68 2.52 54.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.492 0.186 . . . . 0.0 111.411 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -154.11 134.08 7.81 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-O 120.564 0.221 . . . . 0.0 110.67 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.31 124.28 10.29 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.49 2.127 . . . . 0.0 112.46 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 14.7 m -140.01 144.48 36.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.727 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 41.2 m -80.56 161.59 24.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.109 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -54.31 -47.08 72.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.94 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -55.96 -52.36 64.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.583 -178.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 97.4 m -59.79 -46.06 90.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.802 0.334 . . . . 0.0 110.686 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 30.2 mt -52.82 -48.76 66.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.009 0.433 . . . . 0.0 110.408 179.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -68.05 -35.63 78.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.686 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 8.3 tt -68.22 -52.08 38.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.784 0.326 . . . . 0.0 111.185 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.428 HD22 ' CE1' ' A' ' 177' ' ' PHE . 8.7 mt -60.45 -34.73 74.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.995 0.426 . . . . 0.0 110.475 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -71.24 -51.05 19.26 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.112 179.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 40.7 m -53.39 -35.36 60.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.594 0.235 . . . . 0.0 111.602 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.425 ' CE1' ' HG3' ' A' ' 176' ' ' GLU . 21.1 m-85 -75.65 -42.07 52.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.748 0.309 . . . . 0.0 111.025 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 22.2 m -65.89 -40.09 91.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.77 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.421 HG23 ' CE1' ' A' ' 162' ' ' HIS . 20.7 mm -64.65 -50.97 73.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.736 179.731 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . 0.401 ' O ' ' CA ' ' A' ' 129' ' ' GLY . 4.1 tm0? -59.58 -35.31 74.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.855 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.72 -26.4 44.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.174 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -80.67 -43.58 20.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.059 -179.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -106.65 -0.76 23.45 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.881 -0.599 . . . . 0.0 112.123 -178.624 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.401 ' CA ' ' O ' ' A' ' 125' ' ' GLN . . . . . . . . 0 N--CA 1.448 -0.557 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.503 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 3.7 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.77 0.319 . . . . 0.0 111.251 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.7 m -63.04 -14.26 45.87 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.654 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -87.34 -28.72 22.06 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.824 0.345 . . . . 0.0 110.829 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -97.19 121.0 38.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.87 97.55 2.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.063 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.78 -24.74 28.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.085 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -175.74 166.68 1.78 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.129 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -68.89 -37.72 10.99 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.559 2.173 . . . . 0.0 112.275 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -112.98 68.03 0.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.804 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -73.65 122.39 22.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.982 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 2.8 t -118.49 160.6 21.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.899 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 31.3 mttt -45.5 -38.38 6.2 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.295 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -61.15 -52.85 63.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.682 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 50.4 tp -60.84 -45.73 93.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.473 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -58.6 -54.02 51.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.716 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -53.35 -50.33 65.25 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.841 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 7.7 tptt -57.74 -31.38 66.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.179 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 58.5 t -67.03 -52.75 40.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.956 0.408 . . . . 0.0 110.896 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 7.7 mtt -68.21 -39.0 82.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.076 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -57.11 -55.07 39.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.045 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 10.2 mt -64.75 -32.41 74.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 162' ' ' HIS . . . . . 0.421 ' CE1' HG23 ' A' ' 124' ' ' ILE . 7.1 t-160 -60.75 -56.76 17.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.76 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -73.18 -28.16 62.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.901 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 38.2 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.458 -179.766 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 32.4 p . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.732 0.301 . . . . 0.0 110.77 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.11 -54.2 5.44 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.415 2.077 . . . . 0.0 111.765 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -52.6 -40.19 62.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.303 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -45.5 85.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.585 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -65.83 -42.23 90.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.586 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.29 -41.79 89.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.223 0.535 . . . . 0.0 110.358 179.492 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 10.9 tp -72.46 -32.31 66.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.079 179.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 176' ' ' GLU . . . . . 0.425 ' HG3' ' CE1' ' A' ' 122' ' ' TYR . 6.1 mm-40 -60.59 -54.1 49.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.908 -179.116 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 177' ' ' PHE . . . . . 0.428 ' CE1' HD22 ' A' ' 119' ' ' LEU . 65.1 t80 -71.48 -40.64 70.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.572 0.225 . . . . 0.0 110.831 -179.719 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 23.5 mt -63.08 -41.88 99.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.893 0.378 . . . . 0.0 110.551 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -69.49 -32.41 71.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.914 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.83 -49.97 22.64 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.46 179.614 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -66.12 -38.27 87.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.058 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 4.6 ttmt -64.67 -44.9 88.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.829 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 24.4 mtpt -77.91 -18.7 55.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.909 179.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.3 -13.2 61.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.312 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 4.0 p 66.21 39.25 4.27 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.874 0.369 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 12.2 mmm -82.51 -32.13 28.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.829 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 187' ' ' TYR . . . . . 0.415 ' CE1' HD11 ' A' ' 100' ' ' LEU . 3.0 p90 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.236 -0.887 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 . . . . . 0 CA--C 1.527 0.068 0 CA-C-O 120.925 0.393 . . . . 0.0 110.621 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.48 -47.8 38.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.723 179.107 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 43.0 mm -62.63 -48.46 88.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.144 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.408 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 11.9 t -58.4 -51.75 68.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.315 -179.428 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -54.4 -47.28 72.92 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 111.632 0.234 . . . . 0.0 111.632 -178.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -55.25 -53.86 50.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.929 0.395 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -66.88 -28.25 68.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.201 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.408 ' HB2' ' O ' ' A' ' 92' ' ' THR . 5.9 tp -67.99 -55.29 13.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.936 0.398 . . . . 0.0 110.675 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 4.0 m -56.01 -44.54 78.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.812 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 46.6 mt -57.24 -45.24 84.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.065 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.4 ' HA ' ' HG2' ' A' ' 102' ' ' GLN . 0.0 OUTLIER -62.21 -45.15 94.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.236 -179.881 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.419 HD23 ' CD1' ' A' ' 187' ' ' TYR . 3.6 mp -70.0 -36.09 74.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.309 -179.64 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.51 -33.61 64.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.471 -179.57 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.4 ' HG2' ' HA ' ' A' ' 99' ' ' GLN . 5.2 pt20 -71.88 -37.83 70.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.804 0.335 . . . . 0.0 110.802 179.587 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.83 -46.99 61.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.175 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 27.2 mt -59.73 -52.78 57.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.399 -179.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 28.0 m -59.57 -32.26 48.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.737 0.303 . . . . 0.0 111.428 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.36 -3.18 41.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.582 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 69.96 28.26 72.02 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.459 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.21 1.74 39.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.559 0.219 . . . . 0.0 111.411 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -152.52 117.88 2.99 Favored Pre-proline 0 C--N 1.332 -0.187 0 CA-C-O 120.548 0.213 . . . . 0.0 110.739 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.82 126.56 22.89 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.424 2.083 . . . . 0.0 112.401 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 93.1 m -140.82 168.3 20.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.75 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.1 t -102.08 167.22 10.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.11 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -60.66 -50.24 74.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.859 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.35 -42.15 77.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.591 -179.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 93.0 m -71.22 -37.65 72.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.88 0.371 . . . . 0.0 110.34 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 17.8 mt -59.95 -45.35 92.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.086 179.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.99 -34.15 64.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.57 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 8.0 tt -69.71 -52.04 29.01 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.841 0.353 . . . . 0.0 110.923 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 58.1 mt -65.11 -33.88 77.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.104 0.478 . . . . 0.0 110.203 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . 0.413 ' O ' HG12 ' A' ' 124' ' ' ILE . . . -71.14 -50.49 22.26 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.647 179.122 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 41.7 m -56.43 -32.43 64.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.728 0.299 . . . . 0.0 111.118 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.411 ' CE1' ' HG3' ' A' ' 176' ' ' GLU . 10.3 m-85 -71.36 -46.12 61.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.852 0.358 . . . . 0.0 110.352 179.475 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 72.1 m -60.16 -37.76 81.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.566 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.413 HG12 ' O ' ' A' ' 120' ' ' GLY . 28.0 mm -62.91 -49.17 84.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.109 179.349 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -56.33 -40.63 74.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.668 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.87 -24.38 44.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.712 -179.683 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.83 -41.86 20.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.946 0.403 . . . . 0.0 111.492 -178.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.422 HD12 ' CE2' ' A' ' 144' ' ' PHE . 1.1 mp -113.66 1.46 14.92 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.313 -178.098 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.585 0 C-N-CA 120.451 -0.881 . . . . 0.0 112.286 -179.945 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 37.1 t . . . . . 0 CA--C 1.528 0.1 0 CA-C-O 120.853 0.359 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.6 m -65.4 -14.27 60.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.375 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -83.96 -26.5 29.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.717 0.294 . . . . 0.0 111.021 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' PHE . . . . . 0.422 ' CE2' HD12 ' A' ' 128' ' ' LEU . 99.2 m-85 -101.81 129.08 47.93 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.107 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -81.49 95.1 6.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.137 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.46 -20.2 24.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.227 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -166.3 162.14 12.14 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.11 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -69.66 -48.56 0.71 Allowed 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.509 2.139 . . . . 0.0 112.327 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -104.19 70.61 0.98 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.714 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -71.28 118.01 13.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.283 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 5.1 t -116.03 162.03 17.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.647 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -44.82 -44.18 9.26 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.211 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -57.01 -48.24 78.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.91 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.406 ' O ' ' CG2' ' A' ' 158' ' ' VAL . 60.2 tp -67.7 -36.8 81.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.391 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -62.47 -53.95 47.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.606 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -57.6 -48.49 79.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.912 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.48 -34.19 68.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.304 -179.15 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . 0.406 ' CG2' ' O ' ' A' ' 154' ' ' LEU . 88.2 t -67.09 -48.52 78.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.874 0.369 . . . . 0.0 110.848 179.719 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 14.2 mtt -68.47 -42.63 78.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.308 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.15 -55.29 36.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.267 -179.524 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 71.0 mt -64.26 -36.91 85.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.889 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 18.2 t-160 -57.03 -52.95 63.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.668 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -74.09 -26.46 60.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.737 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 29.8 m . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.191 -179.955 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 169' ' ' THR . . . . . 0.416 ' HB ' ' HD2' ' A' ' 170' ' ' PRO . 17.0 p . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.692 0.282 . . . . 0.0 110.791 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . 0.416 ' HD2' ' HB ' ' A' ' 169' ' ' THR . 9.0 Cg_endo -50.32 -48.46 19.98 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.728 2.286 . . . . 0.0 112.264 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -49.16 -40.98 34.98 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.234 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -44.21 95.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.675 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -67.4 -45.15 77.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.748 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.28 -40.92 78.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.619 179.592 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 175' ' ' LEU . . . . . 0.43 ' HG ' ' HG3' ' A' ' 179' ' ' GLU . 10.9 tp -72.28 -36.45 68.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.245 179.609 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 176' ' ' GLU . . . . . 0.411 ' HG3' ' CE1' ' A' ' 122' ' ' TYR . 34.7 mm-40 -57.62 -54.28 48.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.077 -0.51 . . . . 0.0 112.1 -179.078 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -71.26 -43.81 66.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.603 0.239 . . . . 0.0 110.898 -179.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 20.4 mt -59.47 -42.09 91.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.831 0.348 . . . . 0.0 110.756 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 179' ' ' GLU . . . . . 0.43 ' HG3' ' HG ' ' A' ' 175' ' ' LEU . 2.4 mt-10 -69.5 -32.55 71.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.805 179.61 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -70.83 -50.0 40.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.208 179.348 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -62.92 -37.86 88.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.081 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.91 -36.23 81.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.526 179.731 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.57 -18.38 64.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.0 179.686 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -107.89 -4.45 17.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.788 -179.42 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.16 81.9 0.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.861 0.362 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 16.8 mmm -108.63 -30.06 8.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 187' ' ' TYR . . . . . 0.433 ' CD1' ' N ' ' A' ' 187' ' ' TYR . 2.2 p90 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.837 0.351 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -72.58 -48.64 38.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.183 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 14.8 mt -66.81 -44.64 89.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.271 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.401 ' CG2' ' N ' ' A' ' 93' ' ' ARG . 10.2 t -58.38 -52.05 67.26 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.524 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.401 ' N ' ' CG2' ' A' ' 92' ' ' THR . 7.0 ttm105 -54.75 -45.79 74.24 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-O 120.715 0.293 . . . . 0.0 110.942 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -52.42 -59.13 4.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.915 0.388 . . . . 0.0 110.823 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -59.87 -43.99 94.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.694 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.4 tp -51.55 -55.42 19.19 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 2.9 t -56.41 -41.06 75.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.743 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 29.1 mt -62.74 -32.72 73.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.415 ' HA ' ' HG2' ' A' ' 102' ' ' GLN . 0.0 OUTLIER -72.61 -43.63 63.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.44 HD12 ' CZ ' ' A' ' 187' ' ' TYR . 7.3 mt -69.98 -35.18 74.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.038 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.97 -35.25 66.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.442 -179.577 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.415 ' HG2' ' HA ' ' A' ' 99' ' ' GLN . 11.7 pt20 -71.79 -37.07 70.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.843 0.354 . . . . 0.0 110.922 179.658 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -70.88 -46.02 63.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.214 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 27.0 mt -60.37 -53.28 51.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.356 -179.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 34.6 m -58.6 -32.16 45.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.513 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -79.93 -2.16 42.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.58 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 69.66 29.78 71.11 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.363 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 1.9 mtm180 -82.83 1.62 38.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.539 0.209 . . . . 0.0 111.437 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -153.88 134.73 8.36 Favored Pre-proline 0 C--N 1.332 -0.177 0 CA-C-N 116.73 -0.214 . . . . 0.0 110.589 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.04 123.0 9.58 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.401 2.068 . . . . 0.0 112.462 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -140.56 168.25 20.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.653 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.33 163.15 12.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.053 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.415 ' CZ ' ' HA ' ' A' ' 154' ' ' LEU . 16.5 t80 -57.91 -45.08 87.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.831 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.22 -43.81 78.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.681 -179.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 99.3 m -70.05 -38.01 75.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.904 0.383 . . . . 0.0 110.365 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 18.9 mt -59.84 -45.9 90.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.118 179.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.25 -34.43 65.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.539 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 7.4 tt -69.54 -52.03 30.11 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.841 0.353 . . . . 0.0 110.896 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.411 HD22 ' CD2' ' A' ' 177' ' ' PHE . 91.1 mt -64.07 -34.65 78.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.074 0.464 . . . . 0.0 110.434 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -71.35 -50.92 19.29 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.732 -0.747 . . . . 0.0 111.904 179.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 19.1 m -55.25 -34.44 64.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.651 0.262 . . . . 0.0 111.491 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.421 ' CE2' ' HB3' ' A' ' 176' ' ' GLU . 9.7 m-85 -73.29 -44.72 58.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.797 0.332 . . . . 0.0 110.71 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 69.4 m -62.36 -38.05 88.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.594 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.429 HG22 ' CE1' ' A' ' 162' ' ' HIS . 23.9 mm -64.14 -49.25 82.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.594 179.557 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . 0.412 ' O ' ' CA ' ' A' ' 129' ' ' GLY . 2.8 tp60 -59.9 -36.81 77.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.87 -29.24 44.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.235 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -78.6 -39.89 36.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.305 -179.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.5 mt -110.93 -0.2 16.87 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.077 -178.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . 0.412 ' CA ' ' O ' ' A' ' 125' ' ' GLN . . . . . . . . 0 N--CA 1.448 -0.517 0 C-N-CA 120.552 -0.833 . . . . 0.0 112.421 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 13.3 t . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.872 0.367 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 42.0 t -65.82 -14.31 61.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.428 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -85.23 -30.61 23.71 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.868 0.366 . . . . 0.0 110.787 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -97.01 125.38 41.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.843 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 4.4 mtmp? -78.25 96.97 5.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -97.95 -23.6 15.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.104 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -157.65 153.73 23.51 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.236 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.85 -50.0 1.3 Allowed 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.563 2.175 . . . . 0.0 112.324 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -105.5 66.7 0.75 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.543 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -59.23 123.3 16.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.209 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 2.8 p -112.57 149.55 32.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.607 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.76 -39.33 5.12 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.915 0.388 . . . . 0.0 110.666 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -63.87 -41.19 97.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.491 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.415 ' HA ' ' CZ ' ' A' ' 113' ' ' PHE . 51.5 tp -70.28 -45.96 65.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.07 0.462 . . . . 0.0 109.994 179.28 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -58.75 -53.74 54.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.457 179.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -54.28 -50.48 67.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.826 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 14.9 tptt -57.52 -30.15 64.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.928 -179.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 62.6 t -67.04 -50.43 64.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.0 0.428 . . . . 0.0 110.526 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 7.9 mtt -68.35 -40.52 81.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.94 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -57.03 -55.3 36.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.052 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 15.0 mt -62.03 -34.81 76.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.811 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 162' ' ' HIS . . . . . 0.429 ' CE1' HG22 ' A' ' 124' ' ' ILE . 7.8 t-160 -56.69 -55.67 31.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.753 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 28.2 mttt -72.85 -27.31 61.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.98 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 19.5 p . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.204 -179.852 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.528 0.111 0 CA-C-O 120.642 0.258 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -58.92 -45.57 27.85 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.566 2.177 . . . . 0.0 112.152 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -51.74 -43.08 62.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.273 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.91 -46.95 84.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.727 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -65.55 -44.57 86.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.669 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -57.29 -39.48 75.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.291 0.567 . . . . 0.0 110.526 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 12.8 tp -72.64 -33.28 66.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.266 179.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 176' ' ' GLU . . . . . 0.421 ' HB3' ' CE2' ' A' ' 122' ' ' TYR . 50.1 mm-40 -61.39 -54.54 42.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 112.027 -178.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 177' ' ' PHE . . . . . 0.411 ' CD2' HD22 ' A' ' 119' ' ' LEU . 15.1 t80 -68.76 -45.74 70.62 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.628 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 34.7 mt -59.98 -38.59 82.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.882 0.372 . . . . 0.0 110.431 179.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -67.68 -33.34 74.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.833 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -71.2 -49.66 41.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.183 179.476 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -60.97 -38.55 86.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.712 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.41 -35.05 78.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.772 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.02 -19.73 65.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.949 179.582 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.2 mp -104.07 14.1 31.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.762 -179.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 6.3 m 53.26 32.7 13.96 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.823 0.344 . . . . 0.0 111.219 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 6.2 mmm -64.35 -33.75 76.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.84 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 187' ' ' TYR . . . . . 0.44 ' CZ ' HD12 ' A' ' 100' ' ' LEU . 35.5 m-85 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.917 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.433 ' O ' HG23 ' A' ' 92' ' ' THR . 2.7 pt-20 . . . . . 0 N--CA 1.461 0.082 0 CA-C-O 120.953 0.406 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.93 -46.73 88.46 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.221 179.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 48.1 mm -60.75 -47.59 92.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.799 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.433 HG23 ' O ' ' A' ' 89' ' ' GLU . 10.1 t -67.01 -48.84 67.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.543 -0.298 . . . . 0.0 111.016 -179.603 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.423 ' HB2' ' O ' ' A' ' 89' ' ' GLU . 3.6 ttp180 -54.41 -50.03 68.55 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.299 -179.127 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -57.28 -52.96 63.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.958 0.409 . . . . 0.0 110.739 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -61.94 -28.42 69.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.959 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.9 tp -66.16 -55.22 17.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 75.1 m -57.23 -40.28 77.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 30.1 mt -59.48 -50.98 71.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.991 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -66.01 -46.4 78.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.004 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.413 HD13 ' CE1' ' A' ' 187' ' ' TYR . 2.8 mt -59.72 -46.44 89.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -66.39 -28.46 68.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.159 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.15 -39.43 71.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -70.68 -39.82 73.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 14.7 mt -64.13 -52.12 60.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.229 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 27.3 m -58.07 -32.35 43.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.561 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -82.83 -3.71 57.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.54 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 69.08 32.85 73.27 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.297 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -84.62 2.65 40.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.533 0.206 . . . . 0.0 111.392 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.1 tt -156.62 118.78 2.2 Favored Pre-proline 0 C--N 1.332 -0.171 0 CA-C-O 120.537 0.208 . . . . 0.0 110.711 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.87 129.44 35.22 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.462 2.108 . . . . 0.0 112.422 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 61.1 m -141.92 157.58 44.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.704 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 17.7 p -88.76 160.47 17.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.035 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -58.56 -49.76 76.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.852 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.39 -39.49 73.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.493 -179.165 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 92.1 m -71.91 -40.03 69.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.881 0.372 . . . . 0.0 110.347 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 19.7 mt -58.74 -47.11 85.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.287 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -71.43 -35.9 71.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.461 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 9.0 tt -67.18 -51.81 49.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.917 0.389 . . . . 0.0 110.844 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.422 HD22 ' CD2' ' A' ' 177' ' ' PHE . 54.0 mt -62.2 -33.77 75.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.187 179.491 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -71.32 -51.8 15.84 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.216 179.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 14.1 m -53.68 -36.42 62.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.645 0.26 . . . . 0.0 111.436 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.453 ' CG ' ' OE2' ' A' ' 176' ' ' GLU . 26.0 m-85 -72.69 -44.7 61.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.724 0.297 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 18.2 m -58.84 -41.03 85.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.887 0.375 . . . . 0.0 110.373 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 23.1 mm -62.39 -47.69 91.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.261 179.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -57.76 -38.15 74.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.64 179.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 21.6 t -78.81 -24.62 44.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.194 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.91 -40.64 24.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.335 -179.088 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.5 mp -114.74 1.41 14.14 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.351 -178.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.211 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.565 179.827 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . 0.403 ' CG1' ' CD1' ' A' ' 146' ' ' LEU . 25.5 t . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.718 0.294 . . . . 0.0 111.221 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.1 m -63.98 -14.15 51.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.621 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.51 -28.34 22.08 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.777 0.322 . . . . 0.0 110.89 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -94.29 128.5 40.82 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.992 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 15.3 mtmt -83.0 93.36 7.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.013 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . 0.403 ' CD1' ' CG1' ' A' ' 141' ' ' VAL . 2.9 mt -87.44 -19.83 27.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.255 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -171.24 163.04 5.18 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 120.745 0.307 . . . . 0.0 111.181 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -68.14 -46.63 2.12 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.57 2.18 . . . . 0.0 112.195 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 -104.78 70.49 0.93 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.789 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -75.7 118.77 18.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.026 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 1.9 t -115.79 161.5 18.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.741 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.9 -39.22 5.23 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.242 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -60.4 -49.31 78.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.697 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 41.4 tp -64.23 -43.57 94.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.386 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -60.01 -54.02 50.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.636 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -53.54 -51.34 63.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 2.2 tptm -57.47 -31.8 66.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.082 -179.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 93.3 t -67.09 -51.41 54.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.836 0.35 . . . . 0.0 110.887 179.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 8.8 mtt -68.16 -41.46 81.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.113 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -59.41 -53.63 55.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 26.3 mt -61.23 -37.85 84.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -56.8 -56.6 19.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.699 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.86 -26.79 63.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.762 179.686 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 47.2 t . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.143 179.959 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 40.2 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.618 0.247 . . . . 0.0 110.722 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -51.44 -47.52 25.69 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.639 2.226 . . . . 0.0 112.135 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -49.07 -42.9 40.28 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.434 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.09 -42.13 84.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.873 0.368 . . . . 0.0 110.462 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 173' ' ' ALA . . . . . 0.451 ' O ' ' HG3' ' A' ' 176' ' ' GLU . . . -71.06 -34.24 71.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.471 179.507 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.1 -44.77 79.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.348 179.38 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 14.2 tp -72.31 -43.86 63.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.199 -0.909 . . . . 0.0 112.246 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 176' ' ' GLU . . . . . 0.453 ' OE2' ' CG ' ' A' ' 122' ' ' TYR . 3.0 pp20? -60.17 -49.09 79.01 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -178.368 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 177' ' ' PHE . . . . . 0.422 ' CD2' HD22 ' A' ' 119' ' ' LEU . 5.5 t80 -71.14 -45.38 63.67 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.474 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 178' ' ' LEU . . . . . 0.4 ' CD1' ' CG ' ' A' ' 93' ' ' ARG . 59.0 mt -59.83 -37.98 80.72 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.004 0.431 . . . . 0.0 110.14 179.332 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.39 -32.04 70.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.546 179.326 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -71.27 -49.88 38.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.001 179.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -61.46 -37.48 83.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.822 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.45 -38.67 87.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.781 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 11.7 mtpt -77.85 -20.92 52.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.176 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.3 mt -88.96 -5.93 57.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.349 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 5.0 t 62.54 32.34 16.56 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.861 0.362 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 14.7 mmm -64.92 -37.72 88.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 187' ' ' TYR . . . . . 0.413 ' CE1' HD13 ' A' ' 100' ' ' LEU . 4.7 p90 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.171 -0.919 . . . . 0.0 110.928 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.966 0.412 . . . . 0.0 110.621 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.52 -48.01 29.61 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 44.7 mm -60.69 -46.28 96.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.877 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.413 ' CG2' ' N ' ' A' ' 93' ' ' ARG . 7.5 t -63.98 -52.66 58.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.872 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.413 ' N ' ' CG2' ' A' ' 92' ' ' THR . 1.6 tmm_? -54.65 -51.14 66.37 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-O 120.621 0.248 . . . . 0.0 111.443 -179.283 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -52.06 -55.97 17.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.865 0.364 . . . . 0.0 111.042 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -60.6 -43.19 97.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.824 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.4 tp -51.79 -55.5 19.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.1 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 57.3 m -56.54 -43.46 79.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.877 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 43.7 mt -59.93 -46.97 87.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -65.0 -48.6 73.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.941 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.2 mt -57.94 -49.77 75.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -28.78 70.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.988 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -71.24 -40.26 71.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.841 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -70.81 -40.89 72.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.092 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 10.4 mt -63.82 -53.36 45.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.2 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 27.2 m -58.86 -32.47 47.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.318 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -84.0 -1.16 54.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.56 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 68.7 29.43 72.74 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.505 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.05 -0.08 42.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.558 0.218 . . . . 0.0 111.402 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.7 mt -149.59 136.96 11.27 Favored Pre-proline 0 C--N 1.332 -0.186 0 CA-C-O 120.628 0.251 . . . . 0.0 110.684 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.18 120.49 6.6 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.505 2.137 . . . . 0.0 112.256 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 53.4 m -138.97 168.25 20.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.71 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 58.5 m -102.21 160.87 14.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.019 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -54.45 -46.78 73.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.043 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.03 -49.15 74.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.693 -178.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 80.9 m -63.97 -41.29 97.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.786 0.327 . . . . 0.0 110.561 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 47.6 mt -56.96 -49.7 74.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.08 0.467 . . . . 0.0 110.142 179.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -67.29 -35.86 80.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.417 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.42 ' HG ' ' CE2' ' A' ' 122' ' ' TYR . 7.4 tt -67.11 -51.97 47.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.886 0.374 . . . . 0.0 110.99 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.446 ' CD2' ' CD2' ' A' ' 177' ' ' PHE . 17.7 mt -59.92 -33.9 72.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.49 179.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -71.34 -50.81 19.85 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.173 179.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 8.9 m -53.5 -36.9 62.21 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 111.692 0.256 . . . . 0.0 111.692 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.452 ' CE2' ' HB3' ' A' ' 176' ' ' GLU . 23.1 m-85 -74.38 -44.65 51.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.743 0.306 . . . . 0.0 111.023 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 90.3 m -60.47 -43.56 96.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.487 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 17.6 mm -61.26 -48.64 88.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.258 179.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . 0.421 ' HA ' ' CE1' ' A' ' 162' ' ' HIS . 3.0 tm0? -58.54 -38.32 77.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.996 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 29.8 t -78.66 -25.56 44.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.377 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -81.02 -43.82 19.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.282 -179.277 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.1 mt -108.5 0.56 20.99 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.074 -0.512 . . . . 0.0 112.126 -178.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 0.283 0 C-N-CA 120.347 -0.93 . . . . 0.0 112.737 179.714 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 2.7 t . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.636 0.255 . . . . 0.0 111.471 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.63 -14.26 29.32 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.677 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -90.27 -27.79 19.22 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.843 0.354 . . . . 0.0 110.724 179.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -93.95 121.16 35.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 12.3 mttm -74.27 94.59 2.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.096 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 3.9 mt -82.76 -24.1 33.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.989 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -175.86 165.98 1.81 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.968 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -63.97 -49.28 4.08 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.499 2.133 . . . . 0.0 112.222 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -104.6 69.8 0.91 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.789 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -75.49 121.78 22.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.02 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 4.9 p -120.43 165.94 14.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.827 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 20.9 mttt -49.04 -33.67 11.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.662 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -63.76 -56.16 17.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.531 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 40.6 tp -59.42 -46.46 88.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.337 179.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -58.0 -54.2 49.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.539 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -53.14 -49.23 67.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.826 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 10.7 tptt -57.84 -31.1 66.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 44.2 t -66.76 -50.6 64.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.901 0.382 . . . . 0.0 110.72 179.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 9.9 mtt -68.33 -37.82 80.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.984 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.96 -55.31 34.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.15 -179.697 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 11.8 mt -61.17 -36.44 79.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 162' ' ' HIS . . . . . 0.421 ' CE1' ' HA ' ' A' ' 125' ' ' GLN . 3.5 t-160 -55.76 -50.35 70.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.047 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 9.5 mtpt -81.38 -22.68 38.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.165 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 25.2 p . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.232 -179.845 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.655 0.264 . . . . 0.0 110.805 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -52.77 -52.26 9.26 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.491 2.127 . . . . 0.0 111.732 179.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -49.94 -42.65 48.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.311 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -57.9 -46.35 85.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.605 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -67.06 -39.72 86.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.59 179.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.77 -44.57 95.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.493 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 17.6 tp -72.42 -35.33 68.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.268 179.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 176' ' ' GLU . . . . . 0.452 ' HB3' ' CE2' ' A' ' 122' ' ' TYR . 7.6 mm-40 -59.33 -54.66 44.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.96 -178.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 177' ' ' PHE . . . . . 0.446 ' CD2' ' CD2' ' A' ' 119' ' ' LEU . 14.8 t80 -69.4 -47.28 64.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.653 0.263 . . . . 0.0 110.888 -179.659 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 25.5 mt -58.84 -39.39 81.13 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.861 0.362 . . . . 0.0 110.64 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.08 -32.94 72.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.766 179.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -73.17 -49.87 25.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.214 179.502 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -61.32 -37.95 85.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.549 179.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 26.6 tttt -68.83 -34.46 75.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.603 179.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -19.66 65.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.013 179.598 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.2 mp -104.16 -12.58 16.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.696 -179.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 4.3 m 64.27 34.97 10.31 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.829 0.347 . . . . 0.0 110.871 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 2.6 mmm -60.15 -30.6 69.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 187' ' ' TYR . . . . . . . . . . . . . 4.4 p90 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.249 -0.882 . . . . 0.0 110.899 -179.991 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.96 0.41 . . . . 0.0 110.631 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.56 -47.91 44.29 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 179.014 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 47.6 mm -60.53 -44.17 95.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.087 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.427 ' CG2' ' N ' ' A' ' 93' ' ' ARG . 5.8 t -68.8 -51.24 42.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.487 -179.416 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.441 ' HG3' ' N ' ' A' ' 94' ' ' TYR . 0.0 OUTLIER -54.56 -38.34 66.54 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 -178.479 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.441 ' N ' ' HG3' ' A' ' 93' ' ' ARG . 18.7 t80 -69.63 -51.25 36.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.897 0.379 . . . . 0.0 110.449 179.583 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -61.87 -28.31 69.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.808 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.8 tp -67.9 -55.3 13.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.786 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 39.0 t -55.22 -40.14 70.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.928 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 16.1 mt -60.88 -47.73 85.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.723 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -64.71 -47.84 76.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.416 HD12 ' CE1' ' A' ' 187' ' ' TYR . 8.6 mt -60.38 -46.93 88.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.848 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.22 -28.89 70.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -71.1 -39.36 72.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.114 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -70.95 -34.32 71.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.063 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 10.0 mt -69.36 -54.47 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.363 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 26.9 m -58.73 -32.07 45.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.504 -179.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -82.74 -3.24 56.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.625 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 65.8 41.93 95.38 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.37 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -92.68 5.69 50.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.599 0.238 . . . . 0.0 111.442 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -156.21 134.8 7.48 Favored Pre-proline 0 CA--C 1.53 0.178 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.623 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.38 125.83 12.82 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.375 2.05 . . . . 0.0 112.389 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 60.0 m -138.15 168.27 20.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.648 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 41.7 t -101.6 161.74 13.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.916 0.389 . . . . 0.0 111.143 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.428 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 14.2 t80 -56.08 -49.65 73.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.964 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.18 -46.0 79.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.66 -178.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 90.0 m -64.44 -44.09 92.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.823 0.344 . . . . 0.0 110.623 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 20.5 mt -54.91 -49.39 71.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.343 179.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -67.11 -36.36 81.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.478 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.412 ' HG ' ' CE2' ' A' ' 122' ' ' TYR . 5.8 tt -66.33 -51.77 53.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.917 0.389 . . . . 0.0 110.888 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.417 HD22 ' CD2' ' A' ' 177' ' ' PHE . 43.3 mt -59.92 -33.89 72.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.435 179.669 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -71.36 -51.81 15.66 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.184 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 69.1 m -53.55 -34.91 59.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.57 0.224 . . . . 0.0 111.42 -179.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.417 ' CE1' ' HG3' ' A' ' 176' ' ' GLU . 15.4 m-85 -74.26 -44.19 53.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.841 0.353 . . . . 0.0 110.743 179.775 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 34.0 m -62.2 -41.63 98.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.634 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 12.2 mm -62.28 -50.08 81.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.526 179.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . 0.417 ' HA ' ' CE1' ' A' ' 162' ' ' HIS . 12.5 tp60 -59.28 -36.92 76.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.081 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 53.3 p -78.65 -26.53 45.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.356 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.402 ' OE1' ' CD1' ' A' ' 144' ' ' PHE . 2.1 mt-10 -80.97 -44.46 18.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.28 -179.3 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.413 HD11 ' CE2' ' A' ' 144' ' ' PHE . 1.3 mt -106.91 0.16 23.64 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.052 -0.522 . . . . 0.0 112.13 -178.564 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 0.243 0 C-N-CA 120.422 -0.894 . . . . 0.0 112.758 179.726 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 20.4 t . . . . . 0 CA--C 1.53 0.184 0 CA-C-O 120.709 0.29 . . . . 0.0 111.347 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 7.0 t -63.13 -14.04 43.92 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.737 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -90.76 -24.35 20.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.706 0.289 . . . . 0.0 111.034 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' PHE . . . . . 0.413 ' CE2' HD11 ' A' ' 128' ' ' LEU . 91.8 m-85 -101.18 118.41 36.92 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.11 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.84 97.32 5.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.002 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 2.6 mt -86.11 -20.85 28.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.2 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -172.11 155.92 3.71 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.103 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -63.97 -25.71 66.66 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.535 2.156 . . . . 0.0 112.333 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -125.13 63.49 1.15 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.844 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -69.52 120.67 15.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.965 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 5.4 t -115.78 161.6 18.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.928 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.76 -43.54 8.61 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.31 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . 0.428 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -56.7 -53.42 57.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.751 179.881 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 53.4 tp -61.36 -41.85 97.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.539 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -59.36 -53.97 52.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.829 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -54.44 -51.33 65.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.948 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 3.6 tptp -57.46 -30.94 65.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.136 -179.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 84.5 t -66.98 -49.56 72.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.902 0.382 . . . . 0.0 110.71 179.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 28.1 mtm -68.35 -41.26 80.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.117 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.94 -51.26 70.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.135 -179.716 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 11.5 mt -65.39 -36.45 84.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.086 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 162' ' ' HIS . . . . . 0.417 ' CE1' ' HA ' ' A' ' 125' ' ' GLN . 3.9 t60 -64.89 -56.66 12.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.96 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -31.65 69.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.606 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.406 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 19.9 p . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.635 0.255 . . . . 0.0 110.76 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -51.16 -55.22 4.25 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.596 2.197 . . . . 0.0 111.84 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -51.67 -37.29 49.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.135 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.9 -43.59 86.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.467 179.653 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -67.46 -45.38 76.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.663 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.35 -43.36 83.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.537 179.606 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 12.5 tp -72.25 -29.38 63.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.06 179.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 176' ' ' GLU . . . . . 0.417 ' HG3' ' CE1' ' A' ' 122' ' ' TYR . 5.7 mm-40 -61.62 -52.49 64.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.684 -179.298 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 177' ' ' PHE . . . . . 0.417 ' CD2' HD22 ' A' ' 119' ' ' LEU . 18.3 t80 -71.62 -43.82 65.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.633 0.254 . . . . 0.0 110.861 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 32.0 mt -61.63 -43.08 99.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.916 0.388 . . . . 0.0 110.614 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -68.0 -32.32 72.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.876 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -73.5 -49.65 25.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.36 179.57 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -61.29 -37.85 84.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.789 179.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 8.1 tptt -71.11 -33.88 70.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.866 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -77.47 -22.24 51.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.111 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.6 mt -89.6 -0.33 57.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.357 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 20.9 m 63.49 36.73 11.04 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.895 0.379 . . . . 0.0 110.928 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 11.7 mtp -64.61 -41.59 96.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.924 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 187' ' ' TYR . . . . . 0.416 ' CE1' HD12 ' A' ' 100' ' ' LEU . 7.6 p90 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.967 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.443 ' O ' HG23 ' A' ' 92' ' ' THR . 0.7 OUTLIER . . . . . 0 C--O 1.227 -0.088 0 CA-C-O 120.953 0.406 . . . . 0.0 110.916 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -54.94 -46.33 74.95 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.052 0.453 . . . . 0.0 110.544 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 40.6 mm -62.25 -49.29 84.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.915 -179.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.443 HG23 ' O ' ' A' ' 89' ' ' GLU . 7.6 t -65.69 -50.68 64.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.278 -179.34 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.422 ' N ' HG22 ' A' ' 92' ' ' THR . 0.0 OUTLIER -54.44 -46.07 73.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.599 0.238 . . . . 0.0 111.438 -179.126 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -58.93 -54.54 45.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.922 0.391 . . . . 0.0 110.638 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -62.46 -28.49 69.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.907 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.0 tp -66.15 -55.17 17.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.903 0.382 . . . . 0.0 110.643 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 35.4 m -55.23 -41.11 71.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.634 179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 48.5 mt -58.93 -44.68 91.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.776 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.493 ' O ' ' HG3' ' A' ' 102' ' ' GLN . 0.9 OUTLIER -64.6 -40.74 96.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 179.91 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.429 HD11 ' CZ ' ' A' ' 187' ' ' TYR . 11.1 mt -70.61 -36.79 73.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.98 -35.45 59.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.9 -179.172 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.493 ' HG3' ' O ' ' A' ' 99' ' ' GLN . 0.1 OUTLIER -71.99 -36.37 69.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.894 0.378 . . . . 0.0 110.81 179.526 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -71.11 -49.87 39.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.077 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 41.0 mt -57.11 -50.19 77.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.21 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 27.6 m -60.03 -32.25 49.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.778 0.323 . . . . 0.0 111.298 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -77.72 -2.7 37.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.617 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 71.45 28.21 70.02 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.502 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 10.8 tpt180 -85.77 2.66 44.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.522 0.201 . . . . 0.0 111.43 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -155.97 136.79 9.07 Favored Pre-proline 0 C--N 1.332 -0.191 0 CA-C-O 120.594 0.235 . . . . 0.0 110.647 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -72.08 127.21 12.57 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.45 2.1 . . . . 0.0 112.375 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 6.4 p -138.44 168.26 20.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.731 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.16 162.1 13.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.027 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.435 ' CZ ' ' HB3' ' A' ' 153' ' ' GLU . 15.6 t80 -57.91 -48.78 78.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.923 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.25 -50.63 70.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.7 -178.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 69.2 m -63.54 -40.6 97.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.821 0.343 . . . . 0.0 110.531 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 13.6 mt -57.65 -46.81 83.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.185 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.76 -35.23 74.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.373 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 7.6 tt -67.44 -51.78 47.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.898 0.38 . . . . 0.0 110.786 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.449 ' CD2' ' CD2' ' A' ' 177' ' ' PHE . 13.8 mt -60.56 -35.44 76.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.549 179.689 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -71.31 -52.32 13.77 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.344 179.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 28.1 t -53.53 -34.41 58.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.704 0.287 . . . . 0.0 111.457 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.427 ' CE2' ' HB3' ' A' ' 176' ' ' GLU . 16.3 m-85 -74.5 -43.73 54.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.722 0.296 . . . . 0.0 110.814 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -60.82 -40.27 92.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.393 179.777 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 27.8 mm -64.02 -47.93 88.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.23 179.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . 0.435 ' HA ' ' CE1' ' A' ' 162' ' ' HIS . 15.5 tp60 -58.21 -37.79 75.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.814 179.724 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 13.7 p -78.83 -26.54 44.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.311 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.85 -43.03 23.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.289 -179.245 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.2 mt -110.3 1.96 18.85 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.149 -178.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 0.255 0 C-N-CA 120.311 -0.947 . . . . 0.0 112.535 179.771 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . 0.417 ' CG1' ' CD1' ' A' ' 146' ' ' LEU . 3.0 t . . . . . 0 CA--C 1.528 0.112 0 CA-C-O 120.757 0.313 . . . . 0.0 111.129 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 9.4 t -67.21 -13.96 62.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.394 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.41 -28.81 20.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.836 0.35 . . . . 0.0 110.814 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -80.58 145.37 31.78 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.94 82.79 6.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.068 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . 0.417 ' CD1' ' CG1' ' A' ' 141' ' ' VAL . 0.6 OUTLIER -89.93 -24.3 21.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -169.54 165.02 6.47 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.133 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.81 -44.41 1.38 Allowed 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.523 2.149 . . . . 0.0 112.283 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -108.33 68.75 0.7 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.827 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . 0.401 ' NE2' ' CD1' ' A' ' 146' ' ' LEU . 15.5 tt0 -75.48 119.9 20.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.983 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 59.7 p -113.66 164.15 14.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.745 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 2.7 pttm -49.34 -34.06 14.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.461 179.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . 0.435 ' HB3' ' CZ ' ' A' ' 113' ' ' PHE . 27.3 mm-40 -62.75 -55.99 21.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.543 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 29.0 tp -59.21 -47.24 86.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.321 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -57.61 -53.89 53.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.731 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -57.18 -48.99 77.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 8.1 tptt -57.26 -33.97 68.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.279 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 49.8 t -67.03 -46.63 84.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.924 0.392 . . . . 0.0 110.627 179.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 11.2 mtt -68.2 -42.43 79.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.836 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.29 -54.9 41.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.772 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 52.8 mt -57.62 -38.48 75.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.656 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 162' ' ' HIS . . . . . 0.435 ' CE1' ' HA ' ' A' ' 125' ' ' GLN . 3.1 t-160 -60.28 -56.61 19.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.882 179.779 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 18.0 mtpp -66.25 -33.2 75.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.077 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 10.9 p . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.441 -179.654 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 169' ' ' THR . . . . . 0.41 ' HB ' ' HD2' ' A' ' 170' ' ' PRO . 75.3 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.618 0.247 . . . . 0.0 110.623 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . 0.41 ' HD2' ' HB ' ' A' ' 169' ' ' THR . 6.5 Cg_endo -48.67 -52.04 9.28 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.742 2.295 . . . . 0.0 112.225 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -48.97 -44.32 40.82 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.339 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.97 -44.42 87.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.492 179.741 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -64.98 -45.99 83.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.56 179.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.83 -41.32 82.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.556 179.518 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 9.7 tp -72.34 -37.73 68.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.542 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 176' ' ' GLU . . . . . 0.427 ' HB3' ' CE2' ' A' ' 122' ' ' TYR . 10.3 mm-40 -57.56 -54.55 45.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.271 -0.422 . . . . 0.0 112.102 -178.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 177' ' ' PHE . . . . . 0.449 ' CD2' ' CD2' ' A' ' 119' ' ' LEU . 9.3 t80 -70.46 -43.56 69.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.142 -179.55 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 87.1 mt -61.52 -40.99 96.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.776 0.322 . . . . 0.0 110.953 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -69.54 -32.81 71.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.755 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -72.9 -49.98 26.44 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.333 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -62.05 -37.62 85.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.855 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 19.4 ttpp -68.13 -37.92 81.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.898 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.67 -21.01 52.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.228 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.3 mt -89.49 -0.61 57.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.428 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 11.2 p 59.03 35.29 23.93 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.878 0.37 . . . . 0.0 110.95 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 35.2 mmm -67.37 -15.04 63.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.211 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 187' ' ' TYR . . . . . 0.429 ' CZ ' HD11 ' A' ' 100' ' ' LEU . 5.4 m-85 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.918 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.405 ' O ' HG23 ' A' ' 92' ' ' THR . 14.9 mt-10 . . . . . 0 N--CA 1.46 0.072 0 CA-C-O 120.924 0.392 . . . . 0.0 110.682 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.27 -47.61 48.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.853 179.28 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 46.4 mm -60.77 -46.59 95.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.25 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.425 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 10.9 t -62.56 -49.89 73.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.318 -179.576 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -54.16 -48.18 71.18 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 111.628 0.233 . . . . 0.0 111.628 -178.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -57.78 -54.1 50.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.93 0.395 . . . . 0.0 110.877 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -63.55 -28.39 69.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.281 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' A' ' 92' ' ' THR . 5.8 tp -68.46 -55.41 11.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.903 0.382 . . . . 0.0 110.768 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 60.7 m -54.59 -43.17 71.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.829 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 85.8 mt -59.61 -45.16 92.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -66.36 -48.57 69.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.032 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.6 mt -61.18 -43.13 99.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.763 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.98 -28.46 68.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.21 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -71.37 -41.92 69.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.231 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -70.42 -41.55 72.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.26 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 11.6 mt -62.89 -52.9 53.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.403 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.403 ' CG1' ' O ' ' A' ' 145' ' ' LYS . 34.0 m -57.82 -32.46 43.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.66 -179.698 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -79.99 -2.01 42.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.608 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 68.26 37.81 86.92 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.541 -0.837 . . . . 0.0 112.166 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 8.2 ttt-85 -93.93 4.18 54.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.485 0.183 . . . . 0.0 111.457 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -153.68 109.03 2.54 Favored Pre-proline 0 C--N 1.332 -0.19 0 CA-C-O 120.592 0.234 . . . . 0.0 110.607 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -50.66 128.59 24.38 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.519 2.146 . . . . 0.0 112.56 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 72.0 m -143.64 168.29 20.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.676 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.95 160.22 14.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.036 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.419 ' CZ ' ' HA ' ' A' ' 154' ' ' LEU . 14.6 t80 -58.31 -46.6 85.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.805 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.52 -42.04 77.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.588 -179.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 96.5 m -71.55 -37.52 71.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.928 0.394 . . . . 0.0 110.335 179.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 15.8 mt -61.16 -44.78 96.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.179 179.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.91 -34.77 64.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.321 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 8.2 tt -68.76 -51.92 35.99 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.866 0.365 . . . . 0.0 110.757 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.423 HD23 ' CD2' ' A' ' 177' ' ' PHE . 50.2 mt -65.57 -34.47 78.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.235 179.531 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -71.28 -49.93 24.05 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.156 179.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 11.4 t -57.84 -34.26 69.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.731 0.301 . . . . 0.0 111.212 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.406 ' CE2' ' CD ' ' A' ' 176' ' ' GLU . 15.6 m-85 -72.7 -42.09 64.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.702 179.768 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 19.4 m -60.16 -42.13 94.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.277 179.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 17.2 mm -62.55 -45.53 98.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.156 179.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . 0.428 ' HA ' ' CE1' ' A' ' 162' ' ' HIS . 7.8 tm0? -57.88 -36.62 72.65 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.589 179.536 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 19.4 m -78.37 -25.47 46.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.905 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -81.4 -40.6 23.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.629 -179.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.422 HD11 ' CE2' ' A' ' 144' ' ' PHE . 1.9 mt -114.35 0.29 14.07 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -178.247 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 C-N-CA 120.482 -0.866 . . . . 0.0 112.693 179.866 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . 0.409 ' CG1' ' CD1' ' A' ' 146' ' ' LEU . 6.0 t . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.867 0.365 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 31.8 t -63.75 -14.37 51.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.474 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.46 -25.84 17.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.794 0.331 . . . . 0.0 110.723 179.63 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' PHE . . . . . 0.422 ' CE2' HD11 ' A' ' 128' ' ' LEU . 90.0 m-85 -95.2 124.18 39.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.803 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . 0.403 ' O ' ' CG1' ' A' ' 105' ' ' VAL . 0.0 OUTLIER -81.34 91.87 6.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.178 -179.829 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . 0.409 ' CD1' ' CG1' ' A' ' 141' ' ' VAL . 2.2 mt -89.43 -23.41 22.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.057 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -164.24 160.56 16.38 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.111 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.33 -49.5 1.84 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.565 2.177 . . . . 0.0 112.263 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -105.35 69.1 0.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.789 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -67.47 117.16 9.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.006 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 3.3 p -104.21 149.2 25.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.691 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -44.88 -41.68 7.34 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.879 0.371 . . . . 0.0 110.427 179.575 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -60.55 -41.17 94.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.343 179.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.419 ' HA ' ' CZ ' ' A' ' 113' ' ' PHE . 52.7 tp -69.22 -47.72 64.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.019 179.232 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -56.38 -52.57 64.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.731 179.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -53.44 -52.48 59.3 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 2.4 tptt -57.17 -29.31 63.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.969 -179.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 49.1 t -67.02 -49.76 70.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.899 0.381 . . . . 0.0 110.434 179.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 11.3 mtt -68.34 -42.88 78.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.75 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -59.21 -51.28 70.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.774 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 22.3 mt -59.83 -38.13 81.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.776 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 162' ' ' HIS . . . . . 0.428 ' CE1' ' HA ' ' A' ' 125' ' ' GLN . 3.2 t-160 -58.64 -56.63 19.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.82 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 12.6 tttp -65.13 -30.83 71.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 6.3 p . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.18 -179.978 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 27.2 p . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.701 0.286 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -57.96 -50.4 10.3 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.603 2.202 . . . . 0.0 111.999 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -49.8 -42.42 46.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.424 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.86 -42.86 85.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.668 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -68.78 -42.37 77.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.746 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.37 -42.68 96.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.233 0.54 . . . . 0.0 110.722 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 12.4 tp -72.67 -27.41 62.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.814 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 176' ' ' GLU . . . . . 0.505 ' HG3' ' N ' ' A' ' 177' ' ' PHE . 0.0 OUTLIER -70.14 -51.05 34.45 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -178.575 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 177' ' ' PHE . . . . . 0.505 ' N ' ' HG3' ' A' ' 176' ' ' GLU . 7.2 t80 -72.09 -40.4 68.25 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.459 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 178' ' ' LEU . . . . . 0.407 ' O ' ' HB2' ' A' ' 182' ' ' LYS . 35.7 mt -61.23 -41.14 96.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.307 179.503 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.05 -32.31 70.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.757 179.444 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -70.88 -49.92 40.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.922 179.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -61.72 -37.59 84.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.749 179.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 182' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 178' ' ' LEU . 0.0 OUTLIER -66.33 -35.89 81.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.37 179.529 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 10.0 ttmt -70.35 -19.16 63.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.045 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -106.66 9.47 31.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.822 -179.437 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 1.5 m 56.39 52.25 10.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.817 0.341 . . . . 0.0 111.263 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 61.4 mtp -99.65 27.32 5.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.782 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 187' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.281 -0.866 . . . . 0.0 110.868 -179.821 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.2 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.5 m 61.13 112.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.793 0.33 . . . . 0.0 110.928 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 -110.8 -40.87 4.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 75.4 mmm -76.11 147.15 38.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.849 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -147.91 107.87 3.72 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.984 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.71 -9.58 26.46 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.436 2.091 . . . . 0.0 112.531 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -94.99 -13.38 25.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.46 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -90.65 47.32 1.41 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.849 0.357 . . . . 0.0 110.948 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -94.39 -28.26 15.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.973 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -57.67 -51.39 69.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.128 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.401 ' O ' HG22 ' A' ' 92' ' ' THR . 1.3 mt-10 -53.97 -29.93 44.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.873 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -72.55 -47.83 45.08 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 49.9 mm -59.03 -46.39 91.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.022 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.401 HG22 ' O ' ' A' ' 89' ' ' GLU . 8.3 t -64.52 -50.83 65.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.745 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -54.5 -51.19 65.88 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.544 0.211 . . . . 0.0 111.344 -179.077 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -53.56 -55.24 27.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.845 0.355 . . . . 0.0 111.048 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -59.63 -43.25 93.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.409 HD21 ' CE2' ' A' ' 187' ' ' TYR . 5.2 tp -51.63 -55.57 18.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.293 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 2.2 t -57.94 -41.23 82.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.923 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 34.7 mt -60.98 -48.89 79.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.012 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -66.72 -48.7 68.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.4 mt -57.43 -52.04 67.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.05 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 19.5 ttp-105 -63.25 -28.84 70.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.029 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -71.19 -39.35 71.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.851 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -69.38 -35.57 75.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 10.5 mt -67.73 -52.97 34.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.346 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 31.6 m -57.89 -32.37 43.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.643 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -85.91 -3.33 58.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.648 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 67.27 34.36 85.38 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.327 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -82.23 0.95 38.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.574 0.226 . . . . 0.0 111.417 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.9 tt -151.31 132.72 7.78 Favored Pre-proline 0 C--N 1.331 -0.207 0 CA-C-O 120.557 0.218 . . . . 0.0 110.714 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -67.95 121.64 8.68 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.393 2.062 . . . . 0.0 112.244 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 58.8 m -138.63 168.28 20.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.677 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 72.9 m -102.74 163.36 12.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.07 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -55.92 -46.99 78.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.957 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.05 -48.25 76.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.686 -178.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 74.9 m -65.35 -39.98 93.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.842 0.353 . . . . 0.0 110.578 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 14.6 mt -57.79 -47.16 83.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.048 0.452 . . . . 0.0 110.124 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.83 -35.1 72.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.657 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 7.7 tt -69.73 -52.28 26.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.795 0.331 . . . . 0.0 111.086 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.411 HD21 ' CD2' ' A' ' 177' ' ' PHE . 43.7 mt -62.02 -34.95 77.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.042 0.448 . . . . 0.0 110.415 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -71.17 -50.65 21.43 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.666 -0.778 . . . . 0.0 111.929 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 35.0 m -53.56 -34.61 58.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.655 0.264 . . . . 0.0 111.325 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.418 ' CE1' ' HG3' ' A' ' 176' ' ' GLU . 14.6 m-85 -73.8 -46.53 44.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.807 0.337 . . . . 0.0 110.834 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 83.3 m -61.28 -39.8 91.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.679 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.418 HG22 ' CD1' ' A' ' 128' ' ' LEU . 29.3 mm -63.55 -50.84 76.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.694 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . 0.409 ' O ' ' CA ' ' A' ' 129' ' ' GLY . 0.0 OUTLIER -59.19 -35.23 73.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 12.8 t -78.83 -25.31 44.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.05 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.91 -41.96 22.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.056 -179.326 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.418 ' CD1' HG22 ' A' ' 124' ' ' ILE . 1.2 mp -110.01 -0.23 18.19 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.218 -178.416 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.409 ' CA ' ' O ' ' A' ' 125' ' ' GLN . . . 70.38 -157.67 53.54 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.515 -0.85 . . . . 0.0 112.384 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.21 152.74 19.92 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.845 0.355 . . . . 0.0 110.839 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . 0.416 ' CE2' ' HD2' ' A' ' 163' ' ' LYS . 34.6 t80 -74.44 159.0 32.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.958 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -144.67 90.65 6.36 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -59.54 -21.39 61.83 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.618 2.212 . . . . 0.0 112.432 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.2 -29.65 70.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.993 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 81.7 mt -96.83 -29.08 13.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.036 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 8.5 m170 61.99 176.87 0.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.828 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . 0.43 ' O ' ' HB ' ' A' ' 138' ' ' VAL . . . -179.33 -57.88 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.48 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.43 ' HB ' ' O ' ' A' ' 137' ' ' GLY . 38.9 t 67.12 -67.7 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.731 0.3 . . . . 0.0 111.081 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -97.18 30.17 2.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.177 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . 0.416 ' CZ ' ' HG2' ' A' ' 159' ' ' MET . 43.7 p90 -73.67 -30.81 63.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.878 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . 0.423 ' CG1' ' CD1' ' A' ' 146' ' ' LEU . 21.0 t -61.96 -19.08 20.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.288 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.4 m -63.01 -14.28 45.9 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.649 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -83.92 -22.33 31.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.692 0.282 . . . . 0.0 111.183 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' PHE . . . . . 0.41 ' CE2' HD13 ' A' ' 128' ' ' LEU . 78.1 m-85 -114.12 119.77 38.26 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.949 0.405 . . . . 0.0 111.206 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 12.2 mtmt -75.52 102.42 5.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.104 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . 0.423 ' CD1' ' CG1' ' A' ' 141' ' ' VAL . 0.6 OUTLIER -88.1 -19.26 27.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.297 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -175.17 165.78 2.07 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-O 120.766 0.317 . . . . 0.0 111.115 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.62 -42.36 1.82 Allowed 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.562 2.174 . . . . 0.0 112.324 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -106.57 70.86 0.84 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.807 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -80.8 120.92 25.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.033 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 2.9 p -120.0 167.95 11.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.845 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -48.17 -35.74 12.25 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.606 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.69 -58.72 6.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.657 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 51.9 tp -59.41 -43.33 93.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.404 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -59.14 -54.03 51.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.57 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -52.97 -51.19 62.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.94 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 16.6 tptt -57.75 -31.24 66.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.15 -179.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 63.1 t -67.01 -52.84 39.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.863 0.363 . . . . 0.0 110.927 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' MET . . . . . 0.416 ' HG2' ' CZ ' ' A' ' 140' ' ' TYR . 7.7 mtt -68.33 -39.75 81.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.17 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.93 -55.12 38.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.064 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 10.0 mt -59.47 -38.91 82.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.987 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -55.76 -54.87 39.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.979 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . 0.416 ' HD2' ' CE2' ' A' ' 131' ' ' TYR . 11.4 mtpp -74.47 -26.28 59.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.948 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 36.6 t -62.93 -24.92 68.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.284 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -77.22 124.59 28.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.924 0.392 . . . . 0.0 111.043 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 7.9 mtt-85 -65.61 -154.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.697 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 3.4 m -66.86 73.11 0.1 Allowed 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 120.93 0.395 . . . . 0.0 110.818 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 1.9 ttp -89.04 146.62 24.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.961 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 23.7 p -92.12 157.75 40.43 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.739 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -53.28 -52.95 7.53 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.646 2.23 . . . . 0.0 111.944 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -50.97 -38.55 51.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.291 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.91 -44.72 86.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.581 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -65.91 -46.06 79.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.656 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -57.31 -42.62 82.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.178 0.513 . . . . 0.0 110.6 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 14.1 tp -72.39 -30.84 65.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.128 179.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . 0.418 ' HG3' ' CE1' ' A' ' 122' ' ' TYR . 8.0 mm-40 -61.27 -52.81 63.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.879 -179.158 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . 0.411 ' CD2' HD21 ' A' ' 119' ' ' LEU . 28.4 t80 -71.6 -44.4 64.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.606 0.241 . . . . 0.0 110.828 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 40.0 mt -61.01 -42.78 99.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.894 0.378 . . . . 0.0 110.573 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -68.04 -32.22 72.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.766 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.55 -49.52 32.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.24 179.478 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -61.69 -37.87 85.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.888 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 2.3 mtpm? -71.64 -32.4 67.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.766 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 14.9 mtmt -74.95 -21.35 59.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.052 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.8 mt -95.91 -13.0 24.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.353 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 14.0 m 66.54 44.72 2.24 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.912 0.386 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 35.5 mtp -68.9 -32.46 72.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 187' ' ' TYR . . . . . 0.409 ' CE2' HD21 ' A' ' 96' ' ' LEU . 5.0 p90 . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.148 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -112.48 -35.28 5.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.849 0.357 . . . . 0.0 110.937 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 16.7 p80 -90.31 52.13 2.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.8 122.6 48.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.848 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.19 111.27 5.14 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -73.32 -11.14 24.68 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.502 2.135 . . . . 0.0 112.585 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -77.33 -26.18 51.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.375 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -86.37 6.47 29.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.556 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -60.24 -52.89 63.36 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.875 0.369 . . . . 0.0 110.782 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.26 -48.36 73.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.796 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.415 ' O ' HG22 ' A' ' 92' ' ' THR . 11.0 mt-10 -54.37 -30.03 50.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.904 0.383 . . . . 0.0 110.712 179.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -71.96 -47.68 50.47 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.892 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 47.2 mm -60.76 -46.38 96.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.324 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.416 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 9.3 t -62.61 -50.26 71.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.243 -179.515 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.405 ' HB2' ' O ' ' A' ' 89' ' ' GLU . 0.0 OUTLIER -54.39 -50.95 66.34 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.612 0.244 . . . . 0.0 111.566 -178.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -54.59 -52.41 62.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.939 0.4 . . . . 0.0 111.023 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -66.11 -28.39 68.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.284 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.416 ' HB2' ' O ' ' A' ' 92' ' ' THR . 6.0 tp -68.95 -55.26 11.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.892 0.377 . . . . 0.0 110.848 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 57.1 m -55.46 -44.38 76.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.868 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 78.7 mt -57.27 -49.91 74.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.015 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -63.05 -46.37 87.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.113 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.4 mt -60.58 -46.2 91.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.973 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.78 -28.29 69.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.205 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.31 -41.33 70.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.159 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.91 -41.41 71.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.301 -179.607 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 12.0 mt -63.25 -49.97 80.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.391 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 34.0 m -60.6 -32.49 51.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.582 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -80.91 -1.75 44.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.587 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 69.12 33.06 73.3 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.29 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 36.1 mtp85 -83.5 2.38 37.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.497 0.189 . . . . 0.0 111.447 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -155.73 134.88 7.76 Favored Pre-proline 0 C--N 1.332 -0.194 0 CA-C-O 120.517 0.199 . . . . 0.0 110.637 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.28 125.97 12.46 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.39 2.06 . . . . 0.0 112.406 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 13.4 m -139.49 168.27 20.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.698 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 21.0 t -102.37 162.26 13.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.1 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -56.76 -46.95 81.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.996 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.26 -48.58 76.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.647 -178.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 88.1 m -64.97 -40.22 94.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.806 0.336 . . . . 0.0 110.518 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 28.1 mt -57.9 -46.81 84.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.121 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.5 -35.05 73.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.363 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 6.9 tt -68.15 -51.99 39.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.821 0.343 . . . . 0.0 110.934 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.42 HD21 ' CD2' ' A' ' 177' ' ' PHE . 16.8 mt -61.57 -35.0 76.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.094 0.473 . . . . 0.0 110.467 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -71.26 -51.67 16.6 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.151 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 50.2 m -53.72 -35.34 61.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.645 0.26 . . . . 0.0 111.509 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.419 ' CE2' ' HB3' ' A' ' 176' ' ' GLU . 14.6 m-85 -73.85 -44.61 55.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.754 0.311 . . . . 0.0 110.874 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 90.0 m -59.63 -42.76 93.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.551 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 19.7 mm -62.55 -47.64 92.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.281 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . 0.416 ' HA ' ' CE1' ' A' ' 162' ' ' HIS . 9.0 tp60 -58.52 -37.82 76.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.776 179.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.65 -26.28 45.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.115 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.24 -41.32 25.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.353 -179.183 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.5 mt -112.22 1.19 16.07 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -178.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 80.75 -104.43 2.31 Favored Glycine 0 CA--C 1.517 0.212 0 C-N-CA 120.414 -0.898 . . . . 0.0 112.748 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.39 -179.01 3.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.869 0.366 . . . . 0.0 110.938 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . 0.429 ' CD2' ' HB2' ' A' ' 163' ' ' LYS . 1.2 t80 -99.08 126.18 44.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.969 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -146.43 93.88 4.91 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -63.72 -33.44 65.99 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.702 2.268 . . . . 0.0 112.5 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -75.56 -29.64 59.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.205 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -82.35 -45.56 14.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.103 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -114.43 -80.24 0.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.967 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 169.53 -143.21 7.79 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.667 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 17.0 t -139.83 -34.69 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.607 0.241 . . . . 0.0 111.64 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -92.59 29.67 1.69 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.576 -0.283 . . . . 0.0 111.507 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . 0.418 ' OH ' ' CZ ' ' A' ' 131' ' ' TYR . 0.2 OUTLIER -83.27 -10.78 58.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.628 0.252 . . . . 0.0 111.239 179.634 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . 0.411 ' CG1' ' CD1' ' A' ' 146' ' ' LEU . 10.5 t -69.53 -23.41 26.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 120.787 0.327 . . . . 0.0 111.093 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 25.6 t -63.14 -14.22 46.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.517 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.94 -27.26 18.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.856 0.36 . . . . 0.0 110.777 179.651 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -90.59 126.91 36.1 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.5 91.87 6.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.049 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . 0.411 ' CD1' ' CG1' ' A' ' 141' ' ' VAL . 1.4 mt -88.28 -21.82 24.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.239 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -165.28 165.12 11.95 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.044 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -69.14 -46.71 1.36 Allowed 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.454 2.102 . . . . 0.0 112.282 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -107.75 65.89 0.65 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.803 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -65.32 116.6 6.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.97 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 3.0 t -112.46 158.29 20.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.896 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 17.1 mttm -44.75 -42.16 7.48 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.405 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -57.8 -47.08 83.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.73 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 42.6 tp -65.82 -42.34 90.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.351 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -59.64 -53.9 52.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.663 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -54.94 -51.31 66.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.025 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.5 -30.97 65.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.171 -179.139 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 89.7 t -67.04 -49.88 69.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.881 0.372 . . . . 0.0 110.587 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 10.0 mtt -68.45 -41.39 80.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.069 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -61.72 -55.2 32.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.099 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 61.4 mt -57.03 -41.55 78.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.974 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . 0.416 ' CE1' ' HA ' ' A' ' 125' ' ' GLN . 3.5 t-160 -57.57 -56.83 16.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.02 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . 0.429 ' HB2' ' CD2' ' A' ' 131' ' ' TYR . 8.1 tttm -67.52 -30.17 69.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.05 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 41.6 p -66.28 -21.71 66.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.318 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -73.97 126.05 29.6 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.938 0.399 . . . . 0.0 111.055 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -64.8 -159.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.749 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 19.5 m -66.8 72.88 0.09 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.965 0.412 . . . . 0.0 110.917 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 3.3 tpp -87.35 147.58 25.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.012 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.41 164.61 19.53 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.73 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -56.49 -50.77 10.87 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.439 2.093 . . . . 0.0 111.79 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -55.95 -38.18 69.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.217 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -57.81 -42.94 85.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.603 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -68.7 -45.05 72.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.591 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -57.47 -41.11 79.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.56 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 13.8 tp -72.47 -32.36 66.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.264 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . 0.419 ' HB3' ' CE2' ' A' ' 122' ' ' TYR . 8.6 mm-40 -61.16 -54.54 43.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.944 -179.077 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . 0.42 ' CD2' HD21 ' A' ' 119' ' ' LEU . 10.3 t80 -70.95 -40.09 72.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.639 0.257 . . . . 0.0 110.665 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 21.4 mt -62.82 -42.73 99.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.796 0.332 . . . . 0.0 110.584 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -67.73 -32.6 73.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.726 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -72.68 -49.5 31.08 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.319 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -62.37 -37.96 87.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.153 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -70.21 -35.14 73.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.861 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 3.8 mtmm -74.11 -20.48 60.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.047 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.8 mt -94.5 -10.19 33.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.314 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 28.9 t 61.85 79.33 0.26 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.81 0.338 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 24.2 mtp -113.91 -36.26 4.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 187' ' ' TYR . . . . . . . . . . . . . 9.8 p90 . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.899 -179.941 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.203 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 69.74 -64.92 0.33 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.81 0.338 . . . . 0.0 111.065 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -91.64 45.75 1.25 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.082 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 7.1 tpt -177.06 129.45 0.17 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.908 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -117.89 100.7 52.2 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.815 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -77.17 -23.68 10.17 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.517 2.144 . . . . 0.0 112.63 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -93.81 -34.69 13.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.158 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 58.06 67.07 1.0 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.766 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -87.98 10.51 18.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.641 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 37.3 p -55.66 -49.49 72.76 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.74 0.305 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -55.57 -31.02 61.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.009 0.433 . . . . 0.0 110.588 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -71.98 -47.84 49.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.527 179.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 40.2 mm -62.98 -47.11 94.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.149 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 11.1 t -62.5 -51.12 68.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.1 ttp-105 -54.51 -44.52 72.8 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.601 0.239 . . . . 0.0 111.607 -179.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -59.0 -53.15 61.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.927 0.394 . . . . 0.0 110.688 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -65.32 -28.31 69.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.12 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.9 tp -68.07 -55.24 13.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.762 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.37 -41.54 76.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.745 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 85.1 mt -60.89 -41.94 97.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.836 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -68.6 -48.05 65.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.96 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.414 HD13 ' CZ ' ' A' ' 187' ' ' TYR . 2.3 mt -61.7 -44.93 95.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.738 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -66.94 -28.61 68.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.141 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -71.32 -39.0 71.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.966 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -70.95 -39.35 72.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.107 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 9.3 mt -65.24 -53.1 44.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.392 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 23.6 m -60.52 -32.32 51.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.56 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.02 -3.42 42.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.64 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 68.81 32.88 74.4 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.37 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.7 mtp180 -92.47 4.35 53.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.571 0.224 . . . . 0.0 111.386 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -153.67 113.83 2.6 Favored Pre-proline 0 C--N 1.332 -0.174 0 CA-C-O 120.565 0.222 . . . . 0.0 110.712 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -53.16 130.17 36.89 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.484 2.123 . . . . 0.0 112.425 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 39.2 m -143.32 168.25 20.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.727 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.53 164.62 11.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.071 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -59.32 -49.58 77.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.878 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.12 -46.05 79.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.579 -179.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 98.2 m -67.42 -38.98 85.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.88 0.371 . . . . 0.0 110.332 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 22.4 mt -58.98 -46.12 88.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.157 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -71.8 -34.78 69.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.446 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 8.2 tt -68.64 -51.9 37.09 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.875 0.369 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.413 HD23 ' CD2' ' A' ' 177' ' ' PHE . 19.7 mt -62.58 -34.46 77.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.307 179.566 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -71.51 -52.34 13.18 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.03 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 49.6 m -53.67 -34.48 58.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.624 0.25 . . . . 0.0 111.425 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.423 ' CE1' ' HG3' ' A' ' 176' ' ' GLU . 17.1 m-85 -73.5 -47.18 43.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.795 0.331 . . . . 0.0 110.86 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 77.0 m -59.96 -39.91 87.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.736 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 29.2 mm -63.85 -49.53 81.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.521 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . 0.4 ' HA ' ' CE1' ' A' ' 162' ' ' HIS . 2.1 tp60 -58.43 -37.48 75.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.656 179.709 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 10.7 p -78.84 -25.83 44.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.082 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.3 -38.73 30.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.296 -179.088 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.436 ' CD2' ' CE1' ' A' ' 136' ' ' HIS . 1.3 mp -115.22 0.49 13.55 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.011 -0.54 . . . . 0.0 112.374 -178.089 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 61.15 -144.51 48.65 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.37 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.43 147.43 0.57 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.861 0.362 . . . . 0.0 111.336 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . 0.415 ' CE2' ' HG3' ' A' ' 133' ' ' PRO . 46.7 t80 -57.58 151.95 15.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.044 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -135.11 90.48 21.28 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.812 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . 0.415 ' HG3' ' CE2' ' A' ' 131' ' ' TYR . 22.3 Cg_exo -64.67 -66.01 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.669 2.246 . . . . 0.0 112.266 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.72 -30.07 21.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.04 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -57.09 -31.22 65.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.944 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . 0.436 ' CE1' ' CD2' ' A' ' 128' ' ' LEU . 10.2 m-70 -118.91 -77.39 0.57 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.788 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 147.81 -133.83 4.84 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.438 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 6.9 m -122.69 -33.86 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.734 0.302 . . . . 0.0 111.32 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -96.41 32.86 1.9 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.087 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . 0.419 ' CE1' HG21 ' A' ' 141' ' ' VAL . 48.6 p90 -76.87 -34.08 57.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.807 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . 0.419 HG21 ' CE1' ' A' ' 140' ' ' TYR . 23.7 t -64.42 -21.99 30.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.082 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 16.8 t -63.12 -14.26 46.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.667 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -87.29 -27.8 22.68 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.766 0.317 . . . . 0.0 110.872 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -96.99 122.7 40.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.977 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -76.32 96.5 3.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.05 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . 0.402 ' CD1' ' CG1' ' A' ' 141' ' ' VAL . 5.7 mt -85.09 -22.48 28.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.193 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -170.73 165.45 5.08 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.181 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -68.56 -38.39 11.06 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.565 2.177 . . . . 0.0 112.215 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -115.39 65.84 0.69 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.772 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -68.83 119.87 13.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 7.3 t -115.02 161.31 18.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.906 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -45.07 -43.59 9.61 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.298 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -56.49 -47.63 78.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.751 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 48.2 tp -66.85 -39.13 87.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.362 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -60.83 -53.98 50.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.65 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -54.59 -50.93 66.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.064 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 12.2 tptt -57.59 -33.11 67.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.37 -179.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 98.8 t -67.05 -51.55 53.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.798 0.332 . . . . 0.0 110.975 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' MET . . . . . 0.412 ' HG2' ' CZ ' ' A' ' 140' ' ' TYR . 9.3 mtt -68.25 -42.25 79.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.267 -179.762 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -62.38 -49.05 77.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.107 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 63.9 mt -61.41 -42.19 98.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.012 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . 0.4 ' CE1' ' HA ' ' A' ' 125' ' ' GLN . 8.0 t-160 -57.61 -56.71 18.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.063 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . 0.404 ' HG3' ' CD2' ' A' ' 131' ' ' TYR . 9.5 tttt -69.13 -29.59 67.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.006 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 41.7 t -68.16 -23.84 64.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.207 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -72.37 127.87 33.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.837 0.351 . . . . 0.0 111.051 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 9.6 mtp-105 -65.47 -161.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.863 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 29.0 m -67.31 72.87 0.12 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.942 0.401 . . . . 0.0 110.918 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 56.4 ttm -86.93 149.94 24.44 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.801 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -97.44 163.46 19.71 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.758 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -55.31 -51.62 9.63 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.508 2.139 . . . . 0.0 111.718 179.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -53.66 -40.29 65.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.307 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -57.84 -45.62 85.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.621 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -65.32 -44.08 88.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.503 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -58.13 -40.47 81.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.48 179.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 9.2 tp -72.47 -33.34 66.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.381 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . 0.423 ' HG3' ' CE1' ' A' ' 122' ' ' TYR . 8.6 mm-40 -61.07 -54.58 42.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 112.019 -179.011 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . 0.413 ' CD2' HD23 ' A' ' 119' ' ' LEU . 13.1 t80 -70.44 -44.3 68.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.648 0.261 . . . . 0.0 110.784 -179.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 36.8 mt -60.46 -41.38 94.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.893 0.378 . . . . 0.0 110.567 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -68.17 -32.56 72.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.698 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -73.31 -49.61 26.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.458 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -61.09 -37.72 83.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.047 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . 0.427 ' HG3' ' CE1' ' A' ' 187' ' ' TYR . 26.7 mttt -74.04 -31.04 62.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.038 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 8.1 ttpt -77.47 -22.82 50.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.134 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.5 mt -87.96 -10.2 51.21 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.287 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.2 34.05 11.24 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.815 0.34 . . . . 0.0 110.83 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 19.5 ptm -101.83 27.57 6.38 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 187' ' ' TYR . . . . . 0.427 ' CE1' ' HG3' ' A' ' 182' ' ' LYS . 2.7 m-85 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.229 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -152.94 114.55 4.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.794 0.33 . . . . 0.0 110.922 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -78.96 -58.93 2.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 3.9 mtp -64.01 161.96 14.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.8 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -72.56 131.06 84.9 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.841 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -73.31 -26.42 14.53 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.46 2.107 . . . . 0.0 112.32 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -96.92 -27.57 14.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.204 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 61.24 42.65 11.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.929 0.395 . . . . 0.0 110.67 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 39.0 mt -60.62 -61.75 2.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.205 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 30.4 p -57.54 -49.56 75.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.288 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -56.03 -30.32 61.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.927 0.394 . . . . 0.0 110.662 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -70.49 -47.72 59.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.63 179.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 39.5 mm -63.29 -48.6 86.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.235 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 11.6 t -60.48 -50.89 71.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.205 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 37.3 ttp180 -54.71 -46.31 74.17 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.646 0.26 . . . . 0.0 111.624 -179.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -56.98 -52.33 65.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.934 0.397 . . . . 0.0 110.901 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -67.21 -28.42 68.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.192 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.1 tp -68.08 -55.23 13.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.817 0.342 . . . . 0.0 110.791 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 4.9 t -58.12 -41.34 83.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.841 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 19.7 mt -58.81 -46.38 87.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -66.31 -43.21 86.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.944 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.435 HD11 ' CE1' ' A' ' 187' ' ' TYR . 7.3 mt -64.1 -42.53 96.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.793 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.14 -28.52 67.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.095 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -71.39 -40.27 70.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.95 0.405 . . . . 0.0 110.851 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -71.05 -37.12 72.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.306 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 10.7 mt -68.14 -52.54 37.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.461 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 31.2 m -60.02 -32.07 49.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.488 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -79.01 -2.97 42.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.54 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 71.26 25.71 74.96 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.506 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 2.2 tpt85 -83.81 1.6 42.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.548 0.213 . . . . 0.0 111.393 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -151.74 132.91 7.75 Favored Pre-proline 0 C--N 1.332 -0.171 0 CA-C-O 120.563 0.22 . . . . 0.0 110.675 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.43 127.9 13.86 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.426 2.084 . . . . 0.0 112.379 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 12.8 m -140.17 168.36 19.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.707 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.5 p -102.08 165.45 11.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.092 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.431 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 18.1 t80 -59.84 -51.57 69.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.844 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.27 -45.17 80.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.573 -179.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 88.7 m -67.21 -39.81 86.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.831 0.348 . . . . 0.0 110.379 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 17.1 mt -58.35 -47.65 83.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.102 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.69 -35.17 74.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.371 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.424 ' HG ' ' CE2' ' A' ' 122' ' ' TYR . 7.3 tt -67.49 -51.89 45.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.827 0.346 . . . . 0.0 110.782 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.425 HD22 ' CD2' ' A' ' 177' ' ' PHE . 15.4 mt -61.19 -33.83 74.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.307 179.531 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.406 ' O ' HG12 ' A' ' 124' ' ' ILE . . . -71.32 -51.9 15.45 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.125 179.356 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 19.7 p -53.54 -35.23 60.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.573 0.225 . . . . 0.0 111.499 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.432 ' CE2' ' HB3' ' A' ' 176' ' ' GLU . 19.1 m-85 -74.19 -43.13 58.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.721 0.296 . . . . 0.0 110.676 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 64.6 m -63.28 -40.14 96.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.501 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.406 HG12 ' O ' ' A' ' 120' ' ' GLY . 27.2 mm -62.95 -49.73 82.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.386 179.492 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -57.93 -36.82 73.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.826 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.59 -23.42 46.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.07 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -82.28 -43.94 16.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.151 -179.305 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.4 mp -110.38 1.22 18.28 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.359 -178.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 81.41 -110.45 3.16 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.438 -0.887 . . . . 0.0 112.766 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -102.44 168.33 9.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.88 0.371 . . . . 0.0 110.964 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . 0.428 ' CD2' ' HG3' ' A' ' 163' ' ' LYS . 77.7 t80 -75.21 126.66 31.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.829 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -132.52 94.63 21.99 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . 0.423 ' HD3' ' CD2' ' A' ' 131' ' ' TYR . 59.6 Cg_endo -72.24 -31.01 12.33 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.514 2.143 . . . . 0.0 112.323 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -66.67 -31.6 72.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 35.5 mt -97.81 -42.98 7.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 50.2 m80 -93.27 173.94 7.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.83 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -119.71 -132.39 4.38 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.568 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 14.7 m -113.13 -30.16 2.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.814 0.34 . . . . 0.0 111.278 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.12 30.8 3.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.974 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . 0.438 ' CE2' HG21 ' A' ' 141' ' ' VAL . 52.6 p90 -76.14 -30.72 58.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.828 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . 0.438 HG21 ' CE2' ' A' ' 140' ' ' TYR . 13.9 t -74.02 -21.17 17.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.969 179.698 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 21.6 p -64.86 -14.08 58.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.551 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.85 -27.88 28.4 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.813 0.34 . . . . 0.0 110.866 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -96.57 130.53 43.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.956 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 3.5 mtmp? -77.25 93.24 3.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . 0.403 ' CD1' ' NE2' ' A' ' 150' ' ' GLN . 0.8 OUTLIER -82.59 -24.11 34.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.101 -179.904 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -174.4 166.55 2.34 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.06 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -69.0 -40.06 7.06 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.515 2.143 . . . . 0.0 112.312 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -112.93 66.94 0.65 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . 0.403 ' NE2' ' CD1' ' A' ' 146' ' ' LEU . 13.7 tt0 -72.91 120.13 18.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.943 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 1.2 t -115.64 160.96 19.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.01 -43.52 9.27 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.265 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . 0.431 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 2.4 mt-10 -56.73 -50.63 71.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.762 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 54.9 tp -64.46 -39.56 94.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.475 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -60.46 -54.09 49.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.682 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -55.01 -49.57 71.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.55 -33.06 67.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.2 -179.313 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 84.9 t -67.05 -48.88 77.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.873 0.368 . . . . 0.0 110.717 179.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' MET . . . . . 0.431 ' HG2' ' CZ ' ' A' ' 140' ' ' TYR . 10.2 mtt -68.46 -40.05 81.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.06 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.56 -52.09 67.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 12.0 mt -63.15 -36.23 82.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.721 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 14.0 t-160 -61.39 -56.56 18.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.706 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . 0.428 ' HG3' ' CD2' ' A' ' 131' ' ' TYR . 4.8 tttp -67.12 -29.38 69.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.682 179.74 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.61 -25.05 24.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.133 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' TYR . . . . . 0.417 ' CD1' ' HE2' ' A' ' 168' ' ' MET . 18.9 m-85 -95.75 133.27 40.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.647 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 26.3 mtp180 -134.23 -3.33 2.76 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 1.6 m -139.28 5.2 2.26 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 168' ' ' MET . . . . . 0.417 ' HE2' ' CD1' ' A' ' 165' ' ' TYR . 6.9 tpp -68.57 136.5 53.16 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.884 0.373 . . . . 0.0 111.11 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 5.9 p -92.9 159.88 35.02 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.624 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -52.5 -53.46 6.84 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.392 2.062 . . . . 0.0 111.695 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -53.12 -39.8 63.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.437 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -57.77 -43.68 85.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.652 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -66.37 -43.03 87.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.53 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.05 -42.25 94.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.512 179.478 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 12.6 tp -72.48 -32.28 66.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.033 179.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . 0.432 ' HB3' ' CE2' ' A' ' 122' ' ' TYR . 7.5 mm-40 -60.44 -54.39 46.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.785 -179.176 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . 0.425 ' CD2' HD22 ' A' ' 119' ' ' LEU . 16.6 t80 -68.62 -46.56 68.91 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 121.126 -0.23 . . . . 0.0 110.711 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 19.6 mt -59.27 -38.8 81.02 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.9 0.381 . . . . 0.0 110.438 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -67.7 -34.42 76.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.844 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -73.75 -49.52 25.1 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.504 179.558 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -61.42 -38.07 85.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.641 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 17.2 mtmt -69.6 -35.38 75.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.784 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 4.6 ttmm -77.51 -22.3 51.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.08 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.5 mt -92.36 -3.93 54.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.396 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 2.1 m 62.16 42.87 9.17 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.856 0.36 . . . . 0.0 110.934 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 33.4 mmm -75.7 -14.32 60.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.179 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 187' ' ' TYR . . . . . 0.435 ' CE1' HD11 ' A' ' 100' ' ' LEU . 8.9 m-85 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.876 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.211 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 45.4 m -141.94 -48.41 0.37 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.789 0.328 . . . . 0.0 110.952 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 23.5 t-160 -76.2 82.08 3.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -168.81 -175.53 2.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.15 145.3 30.41 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.64 -3.73 14.28 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.56 2.173 . . . . 0.0 112.728 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -109.54 30.65 6.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.819 0.342 . . . . 0.0 111.133 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -70.71 -21.71 62.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.168 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.15 -18.2 65.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.362 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 3.4 m -57.43 -51.3 69.96 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.78 0.324 . . . . 0.0 111.129 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -57.39 -34.36 68.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.986 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -71.42 -48.58 48.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.349 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 15.6 mt -67.64 -46.35 83.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.266 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.402 ' CG2' ' N ' ' A' ' 93' ' ' ARG . 12.0 t -56.09 -52.49 64.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.546 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.402 ' N ' ' CG2' ' A' ' 92' ' ' THR . 2.9 tmt_? -55.0 -46.47 75.18 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 120.689 0.28 . . . . 0.0 110.804 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -53.17 -56.68 14.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.984 0.421 . . . . 0.0 110.593 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -63.81 -28.26 69.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.825 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.1 tp -66.25 -55.3 16.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.925 0.393 . . . . 0.0 110.547 179.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.3 t -55.75 -40.36 72.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.636 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 70.8 mt -59.53 -43.72 93.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.734 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -67.58 -47.53 69.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.9 mt -60.26 -45.78 92.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.698 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 52.2 ttp180 -66.29 -28.73 68.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.091 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -71.22 -40.9 70.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.018 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.83 -42.32 70.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.108 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 9.3 mt -62.46 -53.35 48.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.339 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 29.3 m -59.43 -32.41 48.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.427 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -79.78 -2.58 43.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.545 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 68.2 34.9 81.92 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.353 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.63 4.04 52.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.552 0.215 . . . . 0.0 111.385 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -158.1 115.33 1.79 Allowed Pre-proline 0 C--N 1.332 -0.193 0 CA-C-N 116.709 -0.223 . . . . 0.0 110.661 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -50.43 125.58 15.66 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.435 2.09 . . . . 0.0 112.53 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -139.74 136.86 34.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.717 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.59 160.12 33.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.047 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -57.34 -48.4 79.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.857 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.28 -40.82 74.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.62 -179.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 74.0 m -71.35 -39.27 71.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.825 0.345 . . . . 0.0 110.374 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 21.1 mt -59.58 -46.72 88.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.174 179.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -71.88 -35.26 69.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.412 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 7.3 tt -67.36 -51.72 48.8 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.895 0.378 . . . . 0.0 110.73 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.412 HD21 ' CD2' ' A' ' 177' ' ' PHE . 67.4 mt -62.96 -34.35 77.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.357 179.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.402 ' O ' HG12 ' A' ' 124' ' ' ILE . . . -71.33 -52.47 13.09 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.075 179.387 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 36.2 t -54.17 -34.11 59.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.688 0.28 . . . . 0.0 111.231 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -71.71 -46.9 57.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.766 0.317 . . . . 0.0 110.616 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 11.3 m -59.79 -37.9 80.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.637 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.409 HD11 HG23 ' A' ' 124' ' ' ILE . 29.4 mm -63.23 -49.83 81.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.346 179.479 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . 0.426 ' HA ' ' CE1' ' A' ' 162' ' ' HIS . 4.7 tp60 -57.01 -38.35 72.98 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.718 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 41.3 t -78.77 -23.63 45.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.264 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.69 -43.05 19.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.979 0.419 . . . . 0.0 111.183 -179.147 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.423 HD13 ' CE1' ' A' ' 144' ' ' PHE . 1.3 mp -111.49 1.01 16.7 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.293 -178.2 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 79.95 -101.97 1.99 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.376 -0.916 . . . . 0.0 112.554 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -123.13 167.65 13.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.823 0.344 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . 0.42 ' CE1' ' HD2' ' A' ' 163' ' ' LYS . 42.7 t80 -62.53 141.52 58.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -132.62 90.46 32.93 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -59.91 -28.77 87.9 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.625 2.217 . . . . 0.0 112.282 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.36 -31.61 72.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.955 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 59.5 mt -85.42 -42.02 14.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 20.0 m170 60.26 176.0 0.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.842 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . 0.455 ' O ' ' HB ' ' A' ' 138' ' ' VAL . . . 158.94 -45.46 0.45 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.575 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.455 ' HB ' ' O ' ' A' ' 137' ' ' GLY . 40.7 t 68.38 -65.82 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.78 0.324 . . . . 0.0 110.987 -179.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -93.87 40.91 1.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.122 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 33.4 p90 -75.59 -31.69 60.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.883 0.373 . . . . 0.0 110.765 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . 0.422 ' CG1' ' CD1' ' A' ' 146' ' ' LEU . 12.1 t -62.9 -18.18 20.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.025 179.609 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 20.2 p -62.44 -14.11 37.19 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.652 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.29 -26.65 19.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.771 0.32 . . . . 0.0 110.926 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' PHE . . . . . 0.423 ' CE1' HD13 ' A' ' 128' ' ' LEU . 82.9 m-85 -94.14 123.53 37.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.018 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.36 93.0 4.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.072 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . 0.422 ' CD1' ' CG1' ' A' ' 141' ' ' VAL . 6.9 mt -86.67 -24.11 25.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.156 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -169.23 165.36 6.62 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.147 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -72.02 -30.55 13.5 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.583 2.189 . . . . 0.0 112.351 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -121.95 63.91 0.92 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -69.45 117.92 11.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 7.6 t -113.36 163.59 14.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.18 -43.68 10.26 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.317 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -54.27 48.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.846 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 42.6 tp -61.55 -40.73 95.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.524 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.65 -53.93 52.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.737 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -55.66 -49.21 73.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.073 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.52 -34.13 68.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.514 -178.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 49.8 t -67.01 -51.03 58.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.882 0.372 . . . . 0.0 111.062 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 14.2 mtm -67.62 -43.05 81.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.092 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -59.71 -53.4 58.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . 0.407 ' O ' ' CD2' ' A' ' 165' ' ' TYR . 30.4 mt -56.76 -40.14 75.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.812 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . 0.426 ' CE1' ' HA ' ' A' ' 125' ' ' GLN . 3.4 t-160 -56.55 -56.1 25.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.927 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . 0.42 ' HD2' ' CE1' ' A' ' 131' ' ' TYR . 2.8 mtpm? -69.02 -29.14 67.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.035 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 3.6 t -64.97 -25.09 67.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.25 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' TYR . . . . . 0.407 ' CD2' ' O ' ' A' ' 161' ' ' LEU . 24.5 m-85 -75.7 125.29 28.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.842 0.353 . . . . 0.0 111.112 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 15.7 mmt85 -65.35 -156.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.557 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.79 72.47 0.09 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.945 0.402 . . . . 0.0 110.997 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 30.0 ttm -86.51 147.25 26.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.772 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 16.6 p -95.87 162.52 23.79 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.666 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.71 -52.54 8.27 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.408 2.072 . . . . 0.0 111.782 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -51.77 -39.66 58.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.343 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.81 -43.02 85.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.702 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -68.67 -46.93 67.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.82 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -57.33 -42.6 82.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.704 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . 0.411 ' HG ' ' HG3' ' A' ' 179' ' ' GLU . 13.3 tp -72.33 -28.12 62.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.238 179.603 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -64.67 -54.16 36.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.888 -179.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . 0.412 ' CD2' HD21 ' A' ' 119' ' ' LEU . 14.2 t80 -70.57 -43.06 70.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.616 -0.265 . . . . 0.0 110.9 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 24.3 mt -59.88 -42.19 93.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.85 0.357 . . . . 0.0 110.611 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . 0.411 ' HG3' ' HG ' ' A' ' 175' ' ' LEU . 3.4 mm-40 -68.51 -32.7 72.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.648 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -72.34 -49.77 31.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.49 179.552 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -62.36 -37.92 87.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.026 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -69.34 -35.01 75.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.712 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.52 -18.23 63.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 179.536 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.3 mp -104.93 -17.24 14.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.591 -179.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.76 38.84 6.59 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.85 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 13.0 ptm -94.57 17.7 12.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.25 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 187' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.884 179.952 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.232 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.0 m -112.18 139.2 47.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.824 0.345 . . . . 0.0 110.914 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -149.29 143.88 26.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -173.03 154.66 2.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.834 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -110.36 134.2 20.88 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -74.72 -28.94 9.27 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.452 2.102 . . . . 0.0 112.269 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.76 -60.72 2.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.102 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 62.45 17.98 9.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.338 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -104.89 -27.78 11.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.822 0.344 . . . . 0.0 110.917 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 40.2 p -53.96 -49.48 68.66 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.0 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -55.33 -30.44 60.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.917 0.389 . . . . 0.0 110.664 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.54 -47.85 30.4 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.001 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 46.5 mm -61.29 -47.44 93.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.898 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 8.4 t -61.86 -50.4 72.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.736 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -54.84 -51.11 66.9 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.372 -179.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -51.89 -53.29 42.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.842 0.353 . . . . 0.0 110.982 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -63.16 -41.24 99.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.747 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.41 HD23 ' CE2' ' A' ' 187' ' ' TYR . 5.5 tp -56.56 -55.42 34.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.101 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.2 m -55.87 -42.62 76.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.994 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 82.5 mt -59.72 -37.85 80.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.958 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -72.2 -40.97 67.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.019 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.421 HD11 ' CD1' ' A' ' 187' ' ' TYR . 6.5 mt -70.18 -39.52 75.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.263 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.47 -34.8 70.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.696 -179.345 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -71.74 -38.84 70.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.865 0.364 . . . . 0.0 110.872 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -67.5 -41.98 83.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.061 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 20.4 mt -63.4 -50.26 79.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.183 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 30.9 m -58.5 -32.51 45.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.494 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -82.23 -2.87 53.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.654 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 68.0 33.63 79.69 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.386 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -83.41 2.29 37.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.53 0.205 . . . . 0.0 111.453 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -152.07 134.59 8.8 Favored Pre-proline 0 C--N 1.332 -0.166 0 CA-C-O 120.533 0.206 . . . . 0.0 110.666 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.79 124.8 10.99 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.478 2.118 . . . . 0.0 112.375 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 76.3 m -139.49 168.25 20.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.701 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.6 m -102.58 166.71 10.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.086 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -58.37 -49.58 76.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.14 -49.9 72.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.629 -178.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 85.7 m -62.83 -44.7 95.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.851 0.357 . . . . 0.0 110.542 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 33.9 mt -53.25 -45.33 68.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.416 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -72.77 -34.31 66.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.657 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 7.5 tt -68.86 -52.14 32.91 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.839 0.352 . . . . 0.0 111.072 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 24.6 mt -64.37 -34.11 77.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.084 0.469 . . . . 0.0 110.371 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -71.16 -51.79 16.45 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.741 -0.742 . . . . 0.0 111.825 179.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 19.2 p -55.2 -33.27 62.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.712 0.292 . . . . 0.0 111.135 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.406 ' CE1' ' OE1' ' A' ' 176' ' ' GLU . 8.6 m-85 -71.62 -47.05 57.17 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.832 0.348 . . . . 0.0 110.67 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 23.3 m -57.86 -40.2 79.57 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.615 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.405 HD13 HG21 ' A' ' 124' ' ' ILE . 32.0 mm -62.52 -48.59 87.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.159 179.346 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . 0.415 ' HA ' ' CE1' ' A' ' 162' ' ' HIS . 5.0 tp-100 -56.8 -40.19 75.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.607 179.592 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.75 -24.18 44.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.495 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.37 -41.47 21.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.935 0.398 . . . . 0.0 111.421 -178.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.1 mp -114.61 2.14 14.44 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.356 -178.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 62.44 -147.63 49.4 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.397 -0.906 . . . . 0.0 112.443 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.69 140.57 28.93 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.939 0.4 . . . . 0.0 111.118 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -60.52 147.34 41.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.948 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -146.32 94.87 4.78 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.63 -19.92 53.63 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.409 2.073 . . . . 0.0 112.405 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -66.4 -29.59 69.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.935 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 20.7 mt -90.93 -45.49 8.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 21.4 m80 -122.56 158.29 30.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.989 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -116.55 -89.71 1.5 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.5 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 7.9 m -126.88 149.13 31.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.835 0.35 . . . . 0.0 111.162 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 59.32 20.66 8.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.141 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 24.4 p90 -69.05 -11.98 61.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.41 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 12.2 t -79.8 0.48 3.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 120.645 0.259 . . . . 0.0 111.563 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 17.0 p -61.88 -14.16 31.31 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.652 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.76 -25.99 17.93 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.802 0.334 . . . . 0.0 110.875 179.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -93.05 124.67 37.19 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.33 91.57 6.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.16 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 4.7 mt -82.54 -22.23 35.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.059 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -175.85 166.02 1.8 Allowed Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.995 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.45 -47.47 3.06 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.515 2.143 . . . . 0.0 112.244 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 -105.58 69.56 0.84 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.811 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -76.13 119.55 20.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.963 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 1.6 t -116.07 163.19 16.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 12.3 pttt -45.52 -42.64 11.04 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.379 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -58.07 -52.4 65.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.798 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 57.1 tp -63.21 -38.97 93.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.474 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -61.48 -54.22 46.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.652 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -55.94 -48.26 76.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.056 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 12.9 tptt -57.7 -36.75 72.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.537 -179.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 55.7 t -66.99 -52.4 44.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.789 0.328 . . . . 0.0 111.228 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 60.0 mtm -66.42 -40.49 89.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.197 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -63.76 -47.04 82.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.002 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . 0.415 ' O ' ' CD2' ' A' ' 165' ' ' TYR . 55.8 mt -60.34 -41.15 92.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.968 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . 0.415 ' CE1' ' HA ' ' A' ' 125' ' ' GLN . 3.3 t-160 -58.86 -56.79 17.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.024 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 11.0 tttt -67.34 -31.61 71.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.081 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 20.5 t -69.95 -22.45 63.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.294 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' TYR . . . . . 0.415 ' CD2' ' O ' ' A' ' 161' ' ' LEU . 8.8 m-85 -74.14 129.12 37.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.856 0.36 . . . . 0.0 111.049 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -163.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.812 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 8.3 t -67.57 72.97 0.15 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.906 0.384 . . . . 0.0 110.829 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 7.3 ttm -84.16 147.16 27.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 1.9 p -99.12 161.3 25.22 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.637 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -51.24 -52.38 9.18 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.521 2.147 . . . . 0.0 111.845 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -52.26 -40.96 62.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.362 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -57.82 -42.19 83.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.624 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -71.51 -39.84 70.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.58 179.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -61.26 -43.29 99.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.456 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 14.4 tp -72.51 -37.29 68.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.568 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . 0.406 ' OE1' ' CE1' ' A' ' 122' ' ' TYR . 31.2 mt-10 -59.91 -53.84 53.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 0.0 112.174 -178.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -69.21 -46.74 66.68 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.976 -0.29 . . . . 0.0 110.581 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 27.9 mt -58.14 -38.71 77.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.027 0.441 . . . . 0.0 110.27 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -68.76 -33.01 73.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.769 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -73.66 -49.72 24.53 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.431 179.512 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -62.99 -38.14 89.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.663 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 6.0 tttt -66.09 -39.11 89.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.637 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -16.99 63.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.011 179.662 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.1 mp -109.07 -12.05 14.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.67 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 1.3 t 65.25 74.21 0.39 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.912 0.387 . . . . 0.0 110.974 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 31.7 mtp -102.48 -27.23 12.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.841 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 187' ' ' TYR . . . . . 0.421 ' CD1' HD11 ' A' ' 100' ' ' LEU . 2.5 p90 . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.152 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 60.4 m 60.43 -179.16 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.816 0.341 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 28.0 m80 67.56 -69.82 0.13 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.02 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.2 mmm -100.6 140.53 34.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.81 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -116.92 116.37 38.12 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -73.36 -5.66 17.51 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.472 2.114 . . . . 0.0 112.65 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -85.22 5.74 28.92 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.678 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -98.15 32.12 2.54 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.889 0.376 . . . . 0.0 110.844 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.57 -33.6 58.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.948 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.78 -50.15 74.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.973 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -53.52 -30.01 39.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.995 0.426 . . . . 0.0 110.724 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.6 -47.5 47.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.768 179.22 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 40.7 mm -62.36 -49.31 84.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.196 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 12.4 t -57.87 -50.99 71.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.278 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.47 -47.81 72.52 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.559 0.219 . . . . 0.0 111.498 -179.005 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -55.24 -53.38 56.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.9 0.381 . . . . 0.0 110.715 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -65.65 -28.22 68.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.023 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.415 HD23 ' CE2' ' A' ' 187' ' ' TYR . 6.0 tp -68.91 -55.3 11.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.655 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -56.74 -37.45 71.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.709 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 41.9 mt -61.44 -49.58 76.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.749 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -64.91 -48.58 73.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.406 HD13 ' CE1' ' A' ' 187' ' ' TYR . 1.0 OUTLIER -59.61 -46.37 89.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.2 -28.66 69.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.087 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -71.18 -44.24 65.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.022 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.47 -36.63 79.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.108 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 9.7 mt -68.69 -54.35 21.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.302 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 29.4 m -61.01 -32.23 52.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.477 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.77 -3.06 42.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.585 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 64.82 45.9 91.2 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.332 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 16.8 mtt180 -104.07 7.62 36.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.555 0.217 . . . . 0.0 111.338 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -155.9 110.65 2.14 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.679 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -49.56 132.63 30.67 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.513 2.142 . . . . 0.0 112.573 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -145.64 168.29 21.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.739 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.41 159.48 14.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.082 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -56.42 -47.91 78.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.968 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.23 -42.48 77.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.621 -179.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 74.9 m -69.12 -40.04 78.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.859 0.361 . . . . 0.0 110.357 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 38.4 mt -59.22 -48.82 80.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.298 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -68.59 -36.27 78.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.362 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.419 ' HG ' ' CE2' ' A' ' 122' ' ' TYR . 6.2 tt -66.57 -51.74 53.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.929 0.395 . . . . 0.0 110.738 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.452 ' CD2' ' CD2' ' A' ' 177' ' ' PHE . 62.3 mt -60.24 -34.27 73.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.409 179.682 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.414 ' O ' HG12 ' A' ' 124' ' ' ILE . . . -71.52 -52.33 13.17 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.367 179.442 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 9.2 m -53.45 -35.46 60.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.596 0.236 . . . . 0.0 111.552 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.435 ' CE2' ' HB3' ' A' ' 176' ' ' GLU . 17.3 m-85 -74.43 -44.4 52.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.741 0.305 . . . . 0.0 110.826 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 30.2 m -61.74 -40.6 95.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.459 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.414 HG12 ' O ' ' A' ' 120' ' ' GLY . 28.3 mm -63.09 -48.89 85.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.344 179.548 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . 0.417 ' OE1' ' CD2' ' A' ' 162' ' ' HIS . 4.0 tp60 -57.98 -37.21 73.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.708 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 16.8 m -78.72 -24.51 44.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.209 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.32 -43.11 19.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.196 -179.227 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -110.3 0.74 18.17 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.967 -0.56 . . . . 0.0 112.197 -178.385 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 80.07 -101.66 1.98 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.34 -0.933 . . . . 0.0 112.59 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.42 -176.31 2.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.749 0.309 . . . . 0.0 110.781 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . 0.417 ' CZ ' ' HE3' ' A' ' 163' ' ' LYS . 28.6 t80 -77.77 116.38 18.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.916 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -116.77 90.39 31.69 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -77.85 -42.77 0.24 Allowed 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.661 2.241 . . . . 0.0 112.629 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -65.58 -22.99 66.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.204 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -75.36 -45.17 40.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.031 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -130.14 -83.32 0.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.01 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 161.21 -102.41 0.21 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.537 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 6.0 m -146.54 166.44 7.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.835 0.35 . . . . 0.0 111.18 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 63.38 25.43 14.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.189 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -77.26 -7.16 55.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.304 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 5.0 t -64.66 -14.51 16.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.689 0.281 . . . . 0.0 111.337 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.36 -14.61 41.72 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.414 179.673 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.91 -28.63 24.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.871 0.367 . . . . 0.0 110.782 179.697 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -109.12 119.36 39.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.75 99.18 8.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.059 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 1.4 mt -92.04 -15.38 27.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.209 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -162.47 155.67 17.17 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 120.738 0.304 . . . . 0.0 111.138 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.49 -49.45 1.75 Allowed 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.531 2.154 . . . . 0.0 112.232 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -104.07 68.91 0.92 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.718 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -72.6 116.88 13.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.102 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -113.21 161.98 16.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.776 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -44.85 -42.16 7.72 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.312 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -57.81 -52.1 66.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 28.3 tp -61.58 -46.71 88.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.479 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.74 -52.5 64.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.754 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -53.1 -53.6 47.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.94 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 6.1 tptt -57.37 -29.18 63.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.139 -179.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 58.9 t -67.03 -51.66 51.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.945 0.402 . . . . 0.0 110.616 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 8.3 mtt -68.24 -42.84 79.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.808 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -57.61 -51.12 70.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.82 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . 0.404 ' O ' ' CD2' ' A' ' 165' ' ' TYR . 28.4 mt -60.59 -38.67 85.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.684 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . 0.417 ' CD2' ' OE1' ' A' ' 125' ' ' GLN . 5.0 t-160 -62.63 -56.66 15.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.702 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . 0.417 ' HE3' ' CZ ' ' A' ' 131' ' ' TYR . 12.4 ttmt -61.64 -33.91 74.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.763 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 7.1 t -54.5 -23.75 17.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.23 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' TYR . . . . . 0.418 ' CD2' ' HE3' ' A' ' 168' ' ' MET . 19.0 m-85 -95.09 133.29 39.06 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.606 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 4.5 mtt85 -132.82 -4.08 3.21 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.076 0.398 . . . . 0.0 112.076 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 26.4 m -141.48 6.57 1.89 Allowed 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 168' ' ' MET . . . . . 0.418 ' HE3' ' CD2' ' A' ' 165' ' ' TYR . 29.8 ttp -66.79 146.57 54.29 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.863 0.363 . . . . 0.0 110.986 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 18.2 p -104.61 158.23 32.43 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.625 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_endo -50.31 -53.97 6.22 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.534 2.156 . . . . 0.0 111.823 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -52.95 -39.92 63.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.231 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.67 -39.55 77.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.567 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -74.2 -43.26 57.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.649 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.46 -42.85 92.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.518 179.534 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 14.6 tp -72.34 -31.82 65.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.179 179.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . 0.435 ' HB3' ' CE2' ' A' ' 122' ' ' TYR . 18.0 mm-40 -60.63 -53.67 54.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.839 -179.182 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . 0.452 ' CD2' ' CD2' ' A' ' 119' ' ' LEU . 14.1 t80 -70.59 -46.51 63.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.669 0.271 . . . . 0.0 110.764 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 42.4 mt -58.65 -41.92 87.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.829 0.347 . . . . 0.0 110.638 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -68.14 -32.57 72.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.647 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.03 -49.78 41.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.154 179.279 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -61.18 -38.03 85.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.723 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.93 -34.39 76.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.614 179.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.87 -19.98 65.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.014 179.628 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.2 mp -104.56 14.26 30.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.676 -179.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 53.58 34.35 18.39 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.816 0.341 . . . . 0.0 111.084 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 6.6 mmm -59.1 -36.22 74.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.963 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 187' ' ' TYR . . . . . 0.415 ' CE2' HD23 ' A' ' 96' ' ' LEU . 11.8 p90 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.255 -0.878 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.214 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 88.6 p -95.4 -39.94 9.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.841 0.353 . . . . 0.0 110.934 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -154.14 31.16 0.44 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.38 171.04 15.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -87.17 111.9 44.08 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.805 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.93 -27.41 20.94 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.379 2.052 . . . . 0.0 112.398 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -86.25 -32.92 20.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.068 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 62.21 66.33 0.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.007 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -90.6 10.59 25.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.19 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 22.8 p -57.58 -49.58 75.94 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.019 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.401 ' O ' HG22 ' A' ' 92' ' ' THR . 3.3 mt-10 -54.92 -30.05 57.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.994 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -74.38 -47.8 31.92 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 46.8 mm -59.19 -45.1 93.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.065 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.423 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 7.8 t -65.28 -49.94 67.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.074 -179.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 34.9 ttm180 -54.45 -51.13 65.96 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.552 -178.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -56.26 -54.59 43.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.903 0.382 . . . . 0.0 110.818 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -61.37 -28.52 69.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.987 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.423 ' HB2' ' O ' ' A' ' 92' ' ' THR . 5.5 tp -68.1 -55.45 12.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.892 0.377 . . . . 0.0 110.669 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 2.6 t -53.8 -40.4 66.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.772 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 95.6 mt -61.07 -46.99 88.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.672 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -64.8 -47.43 78.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.412 HD13 ' CE2' ' A' ' 187' ' ' TYR . 6.0 mt -58.24 -45.78 87.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.81 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.2 ttm-85 -66.48 -28.51 68.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.259 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -71.19 -44.28 65.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.235 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -70.96 -45.75 63.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.293 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 16.3 mt -58.36 -54.19 36.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.423 -179.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 29.1 m -56.24 -32.41 34.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.639 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -84.3 -1.95 56.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.559 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 69.43 32.88 71.91 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.602 -0.808 . . . . 0.0 112.339 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -83.26 1.35 41.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.55 0.214 . . . . 0.0 111.467 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.1 tt -151.26 130.09 6.31 Favored Pre-proline 0 C--N 1.332 -0.187 0 CA-C-O 120.509 0.195 . . . . 0.0 110.656 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.94 125.98 12.68 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.401 2.068 . . . . 0.0 112.425 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 1.6 m -138.75 168.34 20.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.565 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.5 p -100.21 164.38 11.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.127 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -57.4 -50.69 72.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.857 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.26 -45.02 80.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.641 -179.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 94.6 m -66.28 -42.64 88.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.836 0.351 . . . . 0.0 110.623 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 38.5 mt -56.52 -48.28 77.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.291 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.01 -35.82 77.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.446 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 5.9 tt -66.42 -51.73 53.96 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.882 0.372 . . . . 0.0 110.762 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.419 HD22 ' CE2' ' A' ' 177' ' ' PHE . 55.5 mt -60.99 -34.05 74.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.386 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -71.14 -52.49 13.49 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.044 179.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 10.0 t -53.57 -33.39 54.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.641 0.258 . . . . 0.0 111.295 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.411 ' CE1' ' OE1' ' A' ' 176' ' ' GLU . 9.7 m-85 -72.91 -47.58 44.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.81 0.338 . . . . 0.0 110.725 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 79.7 m -59.85 -35.32 74.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.568 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.417 HG21 ' CE1' ' A' ' 162' ' ' HIS . 32.0 mm -66.38 -51.09 62.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.492 179.573 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -57.97 -36.17 72.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.778 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.12 -23.55 47.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.025 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.15 -46.51 12.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.287 -179.356 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -106.93 1.38 24.49 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.045 -0.525 . . . . 0.0 112.227 -178.555 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 81.91 -116.19 4.16 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.374 -0.917 . . . . 0.0 112.769 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.57 154.16 18.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.857 0.36 . . . . 0.0 110.981 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . 0.405 ' CD2' ' HG3' ' A' ' 163' ' ' LYS . 34.7 t80 -66.86 97.91 0.51 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.881 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -104.02 91.71 3.91 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.72 -20.99 34.32 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.522 2.148 . . . . 0.0 112.419 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -72.49 -30.56 64.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.957 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 72.8 mt -101.0 -40.41 7.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.972 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -108.45 158.11 17.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.913 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -97.52 -124.32 4.85 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.552 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 11.2 t -142.64 160.7 18.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.859 0.361 . . . . 0.0 111.067 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 65.53 21.2 11.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.219 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -80.12 -1.71 41.37 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.368 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 3.2 t -74.56 -6.18 8.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.576 -0.283 . . . . 0.0 111.565 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.3 m -61.57 -14.17 27.81 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.767 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 32.5 p30 -95.27 -24.5 16.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.765 0.317 . . . . 0.0 110.841 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -87.5 128.0 35.24 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.928 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.87 88.49 7.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 4.1 mt -90.04 -22.06 22.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.207 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -170.17 163.08 6.37 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.211 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.56 -40.1 3.16 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.625 2.217 . . . . 0.0 112.265 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -108.61 70.42 0.75 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.753 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -80.91 114.99 20.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.211 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 2.2 p -114.99 168.35 9.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.645 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -47.94 -36.57 12.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.633 179.616 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -61.75 -57.02 13.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.723 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 26.6 tp -60.69 -42.37 97.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.422 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -59.66 -53.84 53.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.632 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -54.15 -51.27 64.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.008 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -57.54 -31.95 66.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.229 -179.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 90.2 t -67.13 -50.36 64.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.825 0.345 . . . . 0.0 110.713 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 11.5 mtt -68.17 -40.67 82.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -58.08 -55.14 38.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . 0.416 ' O ' ' CD2' ' A' ' 165' ' ' TYR . 25.7 mt -60.57 -35.27 75.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.695 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . 0.417 ' CE1' HG21 ' A' ' 124' ' ' ILE . 15.8 t-160 -60.27 -53.87 52.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.706 179.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . 0.405 ' HG3' ' CD2' ' A' ' 131' ' ' TYR . 15.4 tttt -71.67 -29.09 64.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.897 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 18.2 p -55.58 -24.91 35.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' TYR . . . . . 0.416 ' CD2' ' O ' ' A' ' 161' ' ' LEU . 18.7 m-85 -92.48 131.09 37.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.746 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' ARG . . . . . 0.435 ' O ' ' CB ' ' A' ' 167' ' ' SER . 20.3 mtm180 -143.97 123.42 13.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.89 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 167' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' A' ' 166' ' ' ARG . 0.8 OUTLIER 82.84 44.23 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.917 -179.838 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 2.1 tpp -119.94 146.21 46.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.585 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -92.51 165.28 19.76 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.857 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.99 -47.95 13.81 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.535 2.157 . . . . 0.0 112.089 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -50.4 -41.28 51.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.345 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -57.8 -45.2 86.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.638 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -67.92 -41.96 81.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.613 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -60.66 -42.91 97.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.438 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 15.4 tp -72.59 -32.71 66.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.325 179.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . 0.411 ' OE1' ' CE1' ' A' ' 122' ' ' TYR . 28.7 mt-10 -61.13 -52.7 63.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.985 -179.004 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . 0.419 ' CE2' HD22 ' A' ' 119' ' ' LEU . 10.0 t80 -71.25 -45.44 63.22 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.973 -0.291 . . . . 0.0 110.541 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 89.3 mt -58.48 -41.97 86.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.01 0.433 . . . . 0.0 110.38 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -68.51 -32.24 72.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.765 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -71.31 -49.9 37.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.13 179.369 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -61.92 -37.9 86.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.801 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.05 -37.85 86.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.645 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.83 -18.25 65.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.008 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.1 mp -107.9 -3.15 19.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.876 -179.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 1.4 m 61.2 38.01 17.03 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.824 0.345 . . . . 0.0 110.947 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 27.6 mmm -63.45 -21.54 66.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 187' ' ' TYR . . . . . 0.412 ' CE2' HD13 ' A' ' 100' ' ' LEU . 9.0 m-85 . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.251 -0.88 . . . . 0.0 110.897 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.203 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.3 m -117.41 97.08 5.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.8 0.333 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 27.7 t60 -101.21 162.48 12.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 4.0 ppp? -149.31 152.8 36.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -61.91 151.15 80.77 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.61 -19.58 27.88 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.598 2.199 . . . . 0.0 112.506 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -102.87 -67.05 0.9 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.868 0.366 . . . . 0.0 111.139 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 60.04 33.02 21.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.64 -26.28 24.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.19 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 45.3 p -52.88 -50.47 63.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.23 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -54.63 -30.59 55.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.907 0.384 . . . . 0.0 110.529 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -75.95 -47.8 23.71 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 178.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 42.1 mm -60.95 -45.11 99.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.058 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.422 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 10.7 t -63.34 -51.44 65.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.27 -179.469 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 5.2 ttm180 -54.41 -50.22 68.1 Favored 'General case' 0 C--O 1.231 0.099 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 -178.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -55.32 -54.64 41.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.936 0.398 . . . . 0.0 110.841 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -63.25 -28.27 69.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.174 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.422 ' HB2' ' O ' ' A' ' 92' ' ' THR . 5.5 tp -67.11 -55.39 14.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.939 0.4 . . . . 0.0 110.87 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 56.3 m -58.26 -35.51 71.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.644 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 23.4 mt -62.45 -46.66 87.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.261 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.429 ' HA ' ' HG2' ' A' ' 102' ' ' GLN . 10.2 pt20 -68.78 -38.14 79.79 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.809 0.338 . . . . 0.0 111.253 -179.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.424 HD12 ' CE2' ' A' ' 187' ' ' TYR . 6.8 mt -70.15 -42.05 73.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.248 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.39 -33.28 69.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.839 -179.178 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.429 ' HG2' ' HA ' ' A' ' 99' ' ' GLN . 6.1 pt20 -71.94 -38.33 69.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.878 0.371 . . . . 0.0 110.786 179.539 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.29 -46.09 68.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.163 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 18.7 mt -60.41 -51.73 69.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.303 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 30.8 m -58.91 -32.16 46.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.754 0.312 . . . . 0.0 111.404 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -77.63 -2.48 36.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.615 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 69.45 32.33 71.58 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.627 -0.796 . . . . 0.0 112.465 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 55.1 mmm-85 -98.7 3.08 47.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.538 0.209 . . . . 0.0 111.411 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -144.0 130.72 10.28 Favored Pre-proline 0 C--N 1.332 -0.181 0 CA-C-N 116.731 -0.213 . . . . 0.0 110.63 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -74.22 121.71 7.05 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.46 2.107 . . . . 0.0 112.482 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -140.16 168.24 20.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.685 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -101.72 164.83 11.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.928 0.394 . . . . 0.0 111.035 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.419 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 52.9 t80 -58.99 -51.05 71.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.828 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.2 -41.55 75.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.534 -179.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 99.6 m -69.57 -39.17 77.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.831 0.348 . . . . 0.0 110.294 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 18.1 mt -59.49 -48.64 80.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.176 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -68.8 -35.92 77.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.514 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.421 ' HG ' ' CE2' ' A' ' 122' ' ' TYR . 7.0 tt -68.28 -51.95 39.2 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.906 0.384 . . . . 0.0 110.931 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.439 ' CD2' ' CD2' ' A' ' 177' ' ' PHE . 21.8 mt -60.03 -34.24 73.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.369 179.637 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -71.33 -50.69 20.41 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.111 179.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 40.0 m -53.56 -36.07 61.48 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.645 0.239 . . . . 0.0 111.645 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.435 ' CE2' ' HB3' ' A' ' 176' ' ' GLU . 22.9 m-85 -74.94 -44.39 48.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.829 0.347 . . . . 0.0 110.89 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 61.5 m -62.44 -42.01 99.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.649 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 25.0 mm -62.67 -49.61 83.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.602 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . 0.409 ' O ' ' CA ' ' A' ' 129' ' ' GLY . 3.3 tm0? -59.29 -36.44 75.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.756 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 5.4 p -78.96 -26.54 43.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.162 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -80.14 -40.9 26.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.146 -179.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.1 mp -111.35 0.35 16.62 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.213 -178.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.409 ' CA ' ' O ' ' A' ' 125' ' ' GLN . . . 73.02 -159.59 53.64 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.505 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -56.28 156.17 6.07 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.83 0.348 . . . . 0.0 110.94 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -60.71 138.18 58.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 27.4 p-10 -140.42 90.61 10.07 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.915 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.56 -24.13 22.47 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.56 2.174 . . . . 0.0 112.45 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -62.81 -30.66 71.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.978 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 75.7 mt -106.72 -38.09 6.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.955 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 22.5 m80 -96.84 178.17 5.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -144.36 -104.58 0.47 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.468 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 2.9 t -138.06 154.62 28.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.8 0.333 . . . . 0.0 111.128 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 61.22 19.81 10.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.194 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 23.7 p90 -73.32 -19.94 60.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.076 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 22.0 t -70.19 -9.5 12.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.45 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 29.9 m -61.56 -14.18 27.76 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.805 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.77 -28.43 21.71 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.785 0.326 . . . . 0.0 110.838 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -93.33 123.19 36.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.94 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 8.8 mtmt -78.43 96.16 5.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.103 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 3.6 mt -86.14 -21.04 27.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.101 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -176.07 166.94 1.65 Allowed Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.033 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -68.46 -46.96 1.68 Allowed 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.52 2.146 . . . . 0.0 112.297 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -103.08 71.37 1.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -78.13 121.22 24.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.948 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 3.4 p -120.1 166.87 12.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.917 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.52 -35.33 12.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.688 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . 0.419 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -62.5 -57.74 10.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.63 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 45.8 tp -59.34 -44.23 92.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.404 179.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -59.22 -53.93 52.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.675 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -54.99 -49.91 70.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.949 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 14.4 tptt -57.49 -32.02 66.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.187 -179.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 57.3 t -67.08 -52.76 40.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.891 0.377 . . . . 0.0 111.022 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 11.0 mtm -67.95 -42.67 80.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.145 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -57.03 -55.16 38.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.053 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 23.4 mt -59.6 -37.56 78.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.821 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -54.49 -53.66 51.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.992 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.37 -25.09 46.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.058 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 10.4 t -68.96 -25.95 64.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.219 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -74.8 128.74 36.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.845 0.355 . . . . 0.0 111.078 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.86 -161.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.739 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 26.5 t -67.18 72.47 0.11 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.958 0.409 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 2.2 tpp -82.66 149.84 27.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.84 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 169' ' ' THR . . . . . 0.4 ' HB ' ' HD2' ' A' ' 170' ' ' PRO . 69.4 p -100.12 157.23 34.23 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.617 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . 0.4 ' HD2' ' HB ' ' A' ' 169' ' ' THR . 6.6 Cg_endo -48.85 -52.86 7.88 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.609 2.206 . . . . 0.0 112.174 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -50.41 -41.12 51.81 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.456 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -57.81 -45.57 85.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.719 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -65.18 -43.54 91.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.656 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -60.62 -42.38 96.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.282 0.563 . . . . 0.0 110.64 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 14.7 tp -72.59 -34.48 67.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.419 -0.809 . . . . 0.0 111.411 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . 0.435 ' HB3' ' CE2' ' A' ' 122' ' ' TYR . 30.5 mm-40 -60.16 -54.33 47.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.992 -178.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . 0.439 ' CD2' ' CD2' ' A' ' 119' ' ' LEU . 16.5 t80 -68.59 -46.89 68.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.611 0.243 . . . . 0.0 110.635 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 35.6 mt -58.43 -38.36 77.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.057 0.456 . . . . 0.0 110.333 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.12 -33.85 75.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.827 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -73.6 -49.74 24.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.446 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -60.81 -37.83 83.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.577 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 10.4 mttm -67.55 -39.03 84.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.046 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 9.6 mtpt -77.76 -22.01 50.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.129 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.3 mt -91.08 -8.53 48.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.359 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 63.57 71.32 0.5 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.885 0.374 . . . . 0.0 110.886 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 28.6 mmm -108.42 -26.69 10.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.956 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 187' ' ' TYR . . . . . 0.424 ' CE2' HD12 ' A' ' 100' ' ' LEU . 11.8 m-85 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.918 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.18 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.5 t -127.95 28.81 5.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.803 0.335 . . . . 0.0 110.945 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 27.6 m170 57.39 30.82 19.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.033 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.37 154.38 22.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -116.36 119.57 36.12 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.16 -2.71 12.94 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.494 2.13 . . . . 0.0 112.764 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -103.68 29.95 5.4 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.819 0.343 . . . . 0.0 111.028 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -94.15 19.53 9.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.041 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.24 -33.87 70.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.954 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.8 p -65.94 -50.95 62.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.4 ' O ' HG22 ' A' ' 92' ' ' THR . 1.0 OUTLIER -57.23 -31.56 65.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.947 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -71.86 -48.43 46.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.201 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 17.7 mt -67.3 -46.15 84.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.127 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.407 ' CG2' ' N ' ' A' ' 93' ' ' ARG . 7.1 t -55.86 -51.84 66.13 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 121.036 -0.266 . . . . 0.0 110.674 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.407 ' N ' ' CG2' ' A' ' 92' ' ' THR . 2.9 ttp180 -54.94 -46.44 74.98 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-O 120.778 0.323 . . . . 0.0 110.896 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -52.48 -55.2 23.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.976 0.417 . . . . 0.0 110.868 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -67.98 -28.4 67.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.249 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 7.5 tp -67.9 -52.2 39.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.842 0.353 . . . . 0.0 110.616 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 9.0 m -58.69 -44.05 90.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.678 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 71.9 mt -57.84 -42.08 83.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -67.96 -47.99 67.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.086 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.415 HD13 ' CD1' ' A' ' 187' ' ' TYR . 4.2 mt -61.79 -45.45 93.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.935 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -28.34 68.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.08 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -71.3 -38.39 71.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.932 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -71.03 -40.13 71.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 11.2 mt -64.01 -49.74 80.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.147 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 27.2 m -61.16 -32.21 52.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.497 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -80.93 -4.35 54.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.467 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 69.1 31.57 72.24 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.46 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 5.2 mtm-85 -86.21 2.82 45.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.564 0.221 . . . . 0.0 111.413 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -155.94 118.35 2.3 Favored Pre-proline 0 C--N 1.332 -0.159 0 CA-C-O 120.496 0.189 . . . . 0.0 110.769 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.7 126.85 23.21 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.508 2.139 . . . . 0.0 112.438 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -141.06 168.34 20.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.676 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 7.6 p -101.9 161.2 13.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.103 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -57.33 -47.78 80.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.85 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.25 -40.75 74.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.568 -179.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 78.5 m -71.27 -38.34 71.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.882 0.372 . . . . 0.0 110.344 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 26.3 mt -60.31 -47.55 85.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.168 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -71.12 -35.27 71.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.523 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 6.6 tt -68.76 -51.92 35.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.847 0.356 . . . . 0.0 110.851 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.461 ' CD2' ' CD2' ' A' ' 177' ' ' PHE . 68.1 mt -61.77 -34.12 75.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.269 179.61 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -71.28 -49.79 24.71 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.747 -0.74 . . . . 0.0 111.786 179.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 49.8 m -53.44 -36.84 62.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.623 0.249 . . . . 0.0 111.49 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.444 ' CE2' ' HB3' ' A' ' 176' ' ' GLU . 24.7 m-85 -72.81 -46.0 55.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.744 0.307 . . . . 0.0 110.788 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 70.1 m -59.96 -39.3 85.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.684 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 32.2 mm -63.76 -49.51 81.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.532 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . 0.416 ' HA ' ' CE1' ' A' ' 162' ' ' HIS . 17.5 tm0? -59.48 -36.23 75.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.76 -27.53 44.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.145 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.34 -43.89 22.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.161 -179.373 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.3 mt -107.23 0.89 23.57 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.023 -178.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.414 ' CA ' ' O ' ' A' ' 125' ' ' GLN . . . 78.49 -166.32 52.27 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.391 -0.909 . . . . 0.0 112.458 179.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.95 156.03 32.48 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.812 0.339 . . . . 0.0 110.764 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . 0.44 ' CD2' ' HG2' ' A' ' 163' ' ' LYS . 67.2 t80 -73.63 147.72 43.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -146.47 98.75 4.21 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.828 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.41 -21.06 61.18 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.383 2.055 . . . . 0.0 112.479 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.12 -30.72 71.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.853 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 70.7 mt -97.16 -19.57 18.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.195 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 15.3 m170 61.94 156.62 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.861 0.362 . . . . 0.0 111.007 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 157.52 121.39 0.66 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.412 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 11.0 m -144.64 167.59 10.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.878 0.371 . . . . 0.0 111.26 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 64.44 15.33 9.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.515 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -79.75 -10.16 59.75 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.586 0.231 . . . . 0.0 111.272 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 6.2 t -66.36 -23.48 31.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.817 0.341 . . . . 0.0 111.069 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.71 -14.39 43.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.506 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -93.09 -25.66 17.8 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.809 0.338 . . . . 0.0 110.825 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -98.81 120.09 38.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 21.2 mttt -78.46 94.57 4.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.006 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 1.3 mt -97.61 -25.73 15.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.104 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -162.34 167.96 11.53 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.218 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -74.43 -69.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.861 2.374 . . . . 0.0 112.33 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -86.4 74.63 9.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -76.43 118.04 18.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.97 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 3.3 p -116.88 170.34 8.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.826 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.29 -35.83 19.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.603 179.639 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -57.59 10.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.706 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 39.1 tp -60.68 -42.08 96.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.342 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -59.88 -53.99 51.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.59 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -55.47 -49.02 73.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 3.4 tptp -57.55 -32.91 67.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.159 -179.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 60.9 t -67.04 -49.6 71.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.857 0.36 . . . . 0.0 110.851 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 11.9 mtt -68.33 -41.01 81.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.057 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -61.38 -52.76 63.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.959 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 13.5 mt -57.62 -42.3 83.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.082 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . 0.416 ' CE1' ' HA ' ' A' ' 125' ' ' GLN . 3.4 t-160 -54.61 -56.71 16.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.101 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . 0.44 ' HG2' ' CD2' ' A' ' 131' ' ' TYR . 6.6 mtpp -71.32 -25.09 62.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 45.5 t -67.19 -26.87 66.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.27 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -77.92 127.18 31.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.931 0.396 . . . . 0.0 111.084 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 5.0 ptt85 -63.99 -157.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.689 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.56 73.18 0.15 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.977 0.418 . . . . 0.0 110.725 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 35.8 ttm -86.67 146.95 26.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.049 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 23.5 p -97.48 162.62 21.92 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.716 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.22 -52.17 9.34 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.42 2.08 . . . . 0.0 111.723 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -49.99 -43.27 50.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.427 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -58.1 -47.8 82.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.697 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -61.34 -44.69 96.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.545 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.43 -39.88 77.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.511 179.458 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 7.9 tp -72.58 -37.11 68.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.5 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . 0.444 ' HB3' ' CE2' ' A' ' 122' ' ' TYR . 64.1 mm-40 -58.69 -54.82 42.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.313 -0.403 . . . . 0.0 112.063 -178.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . 0.461 ' CD2' ' CD2' ' A' ' 119' ' ' LEU . 11.3 t80 -70.01 -43.89 70.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.62 0.248 . . . . 0.0 110.823 -179.699 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 21.6 mt -60.16 -40.08 88.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.871 0.367 . . . . 0.0 110.62 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -69.43 -33.04 72.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.78 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -72.39 -49.84 30.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.091 179.447 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -61.52 -37.9 85.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.618 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.97 -33.7 74.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.679 179.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -19.64 64.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.041 179.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.2 mp -103.64 -13.55 16.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.765 -179.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 2.6 m 62.89 73.79 0.45 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.83 0.348 . . . . 0.0 110.892 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 20.4 mtp -103.21 -26.98 12.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 187' ' ' TYR . . . . . 0.415 ' CD1' HD13 ' A' ' 100' ' ' LEU . 4.1 p90 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.909 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.189 0 N-CA-C 112.558 -0.217 . . . . 0.0 112.558 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.54 152.85 2.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.86 0.362 . . . . 0.0 110.871 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -132.84 -61.78 0.83 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.46 178.22 4.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -125.61 114.69 25.06 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.744 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.67 -24.99 21.14 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.388 2.058 . . . . 0.0 112.386 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -79.47 -42.41 25.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.264 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 60.2 40.65 17.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.737 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 16.8 mt -75.31 -53.52 8.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.12 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 3.3 m -55.92 -51.15 68.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.217 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.409 ' O ' HG22 ' A' ' 92' ' ' THR . 2.5 mp0 -54.87 -29.96 56.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.982 0.42 . . . . 0.0 110.705 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.96 -47.8 42.25 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.072 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 42.1 mm -61.06 -45.32 98.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.285 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.414 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 9.7 t -64.05 -51.13 65.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.241 -179.4 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -54.34 -48.54 71.3 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 120.552 0.215 . . . . 0.0 111.572 -178.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -56.97 -52.51 64.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.928 0.394 . . . . 0.0 110.783 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -65.08 -28.28 69.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.241 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' A' ' 92' ' ' THR . 5.6 tp -70.22 -55.45 9.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.891 0.377 . . . . 0.0 110.838 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.7 m -55.67 -39.14 70.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.752 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 67.8 mt -63.11 -46.22 88.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.819 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -66.71 -48.63 68.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.977 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.0 mt -58.84 -48.08 82.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.75 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 6.3 ttp180 -64.49 -28.57 69.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.088 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.32 -38.5 71.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.963 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -70.94 -37.56 72.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.094 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 10.7 mt -66.58 -52.88 41.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.355 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 27.4 m -60.91 -32.04 51.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.621 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -79.24 -3.07 44.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.596 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 65.31 40.47 96.55 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.475 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.09 6.75 48.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.585 0.231 . . . . 0.0 111.328 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -156.12 138.15 10.03 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-O 120.603 0.239 . . . . 0.0 110.759 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.85 122.84 8.85 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.402 2.068 . . . . 0.0 112.414 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 11.4 m -137.48 168.25 20.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.632 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 88.6 p -104.06 161.23 14.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.092 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.44 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 43.9 t80 -56.82 -48.39 78.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.932 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.24 -44.72 79.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.629 -179.104 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 89.4 m -67.44 -39.94 85.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.836 0.35 . . . . 0.0 110.577 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 16.9 mt -58.43 -48.0 82.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.024 0.44 . . . . 0.0 110.141 179.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.39 -35.26 75.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.549 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.424 ' HG ' ' CE2' ' A' ' 122' ' ' TYR . 6.2 tt -69.14 -52.09 31.68 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.832 0.349 . . . . 0.0 111.027 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.421 HD23 ' CD2' ' A' ' 177' ' ' PHE . 20.7 mt -60.54 -34.15 73.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.324 179.668 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -71.3 -50.05 23.46 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.693 -0.765 . . . . 0.0 111.961 179.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 29.0 m -53.44 -36.36 61.48 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.656 0.243 . . . . 0.0 111.656 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.44 ' CE2' ' HB3' ' A' ' 176' ' ' GLU . 23.5 m-85 -74.23 -46.56 40.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.711 0.291 . . . . 0.0 110.938 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 84.1 m -58.94 -43.26 91.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.608 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 26.8 mm -61.89 -48.41 88.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.229 179.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . 0.43 ' HA ' ' CE1' ' A' ' 162' ' ' HIS . 5.3 tp60 -57.83 -38.48 75.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.771 179.669 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.83 -25.17 44.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.348 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -80.27 -41.47 24.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.219 -179.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.2 mp -113.05 1.63 15.41 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.308 -178.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 78.82 -95.83 1.39 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.368 -0.92 . . . . 0.0 112.554 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -120.82 172.5 7.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.793 0.33 . . . . 0.0 110.78 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -66.16 105.83 1.49 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -114.91 90.69 23.63 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.46 -24.52 69.44 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.601 2.201 . . . . 0.0 112.362 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 6.2 pm0 -64.32 -31.5 72.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.155 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 52.0 mt -83.27 -45.48 13.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.037 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 70.2 m80 -148.95 -175.54 4.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 171.54 131.5 1.36 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.673 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 21.4 t 64.29 113.54 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.91 0.386 . . . . 0.0 111.293 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 58.33 22.8 9.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.342 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . 0.417 ' CZ ' ' HG2' ' A' ' 159' ' ' MET . 51.9 p90 -70.02 -23.37 63.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.007 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 21.4 t -73.71 -8.06 10.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.444 179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 28.1 t -64.09 -14.24 53.26 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.639 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -87.32 -26.77 23.24 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.763 0.316 . . . . 0.0 110.971 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -93.44 129.36 39.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.017 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -85.92 92.13 8.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.945 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 2.9 mt -92.6 -19.15 22.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.278 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -171.23 161.62 5.28 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.182 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.15 -41.13 2.78 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.542 2.162 . . . . 0.0 112.285 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -107.08 70.94 0.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.776 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -80.05 121.65 25.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.013 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 5.5 p -120.72 168.15 11.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.812 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.23 -33.41 19.47 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.589 179.758 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . 0.44 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 0.4 OUTLIER -63.51 -55.86 20.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.638 179.907 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 43.4 tp -62.54 -40.34 96.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.289 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -61.83 -53.91 49.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.67 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -54.74 -50.48 68.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.165 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 13.2 tptt -57.65 -34.68 69.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.369 -179.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 91.9 t -67.05 -51.82 50.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.806 0.336 . . . . 0.0 111.211 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' MET . . . . . 0.417 ' HG2' ' CZ ' ' A' ' 140' ' ' TYR . 10.4 mtm -68.2 -41.21 81.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.316 -179.651 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.22 -54.23 43.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.012 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 9.9 mt -56.79 -40.91 76.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.852 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . 0.43 ' CE1' ' HA ' ' A' ' 125' ' ' GLN . 3.2 t-160 -57.98 -54.55 45.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.723 179.718 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.12 -31.45 71.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.956 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.04 -22.8 29.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.417 -179.691 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 165' ' ' TYR . . . . . 0.432 ' O ' ' HB2' ' A' ' 166' ' ' ARG . 31.9 m-85 -90.83 -87.69 0.19 Allowed 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.096 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 166' ' ' ARG . . . . . 0.432 ' HB2' ' O ' ' A' ' 165' ' ' TYR . 4.3 mmm180 66.68 -0.29 1.64 Allowed 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 35.3 m -134.79 30.99 3.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.9 0.381 . . . . 0.0 110.91 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 2.7 ttp -112.76 151.41 30.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.001 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 69.8 p -99.53 160.26 27.9 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.656 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_exo -51.33 -54.34 5.57 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.4 2.067 . . . . 0.0 111.638 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -51.23 -42.62 61.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.414 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.79 -44.38 86.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.62 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -67.69 -45.06 76.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.606 179.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -58.28 -41.58 84.68 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.561 179.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 12.2 tp -72.47 -33.07 66.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.023 179.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . 0.44 ' HB3' ' CE2' ' A' ' 122' ' ' TYR . 23.0 mm-40 -59.43 -54.27 48.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.892 -179.104 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . 0.421 ' CD2' HD23 ' A' ' 119' ' ' LEU . 47.1 t80 -70.85 -43.6 68.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.671 -0.24 . . . . 0.0 110.988 -179.728 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 28.4 mt -61.28 -41.23 96.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.858 0.361 . . . . 0.0 110.705 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -69.08 -32.58 72.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.811 179.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -72.82 -49.8 28.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.273 179.416 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -61.81 -37.81 85.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.743 179.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 9.1 mttm -68.75 -35.99 77.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.745 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -77.54 -21.4 52.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.186 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.6 mt -93.03 -1.53 56.52 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.41 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.98 36.72 12.32 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.802 0.334 . . . . 0.0 110.911 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 31.6 mtp -71.01 -29.51 65.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 187' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.93 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.167 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.3 t 60.66 103.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.777 0.323 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 42.7 m-70 -118.64 130.56 55.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.18 158.88 15.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -98.28 100.71 9.55 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -69.74 -10.68 29.16 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.429 2.086 . . . . 0.0 112.628 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -99.07 32.1 2.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.851 0.357 . . . . 0.0 111.184 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -89.9 -8.82 50.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.336 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -101.0 -18.35 16.32 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.324 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 39.7 p -55.56 -51.01 68.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.189 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -54.33 -30.03 49.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.865 0.364 . . . . 0.0 110.838 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.49 -47.71 39.12 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 179.178 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 49.6 mm -60.2 -46.46 94.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.979 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 9.3 t -63.87 -50.9 66.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.019 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -54.44 -51.11 66.0 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 120.537 0.208 . . . . 0.0 111.465 -179.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -54.18 -53.05 58.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.916 0.389 . . . . 0.0 110.736 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -64.13 -28.44 69.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.022 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.9 tp -69.28 -55.33 10.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.887 0.375 . . . . 0.0 110.643 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 72.7 m -52.82 -44.38 66.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.706 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 89.3 mt -62.56 -38.75 91.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.643 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.428 ' HA ' ' HG2' ' A' ' 102' ' ' GLN . 0.0 OUTLIER -65.89 -45.86 80.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.059 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -69.51 -33.59 73.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.009 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.29 -34.16 63.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.399 -179.578 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.428 ' HG2' ' HA ' ' A' ' 99' ' ' GLN . 10.5 pt20 -71.75 -38.49 70.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.75 0.31 . . . . 0.0 110.958 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -70.48 -44.31 67.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.216 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 35.3 mt -61.6 -54.31 36.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.425 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 35.1 m -57.1 -32.03 38.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.64 -0.254 . . . . 0.0 111.553 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -82.53 -3.83 56.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.508 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 66.83 38.26 92.86 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.585 -0.816 . . . . 0.0 112.426 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 14.9 ttt180 -91.3 4.1 53.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.557 0.217 . . . . 0.0 111.384 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 30.1 mt -152.16 138.9 12.18 Favored Pre-proline 0 C--N 1.332 -0.194 0 CA-C-O 120.66 0.267 . . . . 0.0 110.768 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.31 123.34 7.64 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.472 2.115 . . . . 0.0 112.409 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 66.7 m -139.94 168.26 20.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.739 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.0 162.72 12.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.083 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -56.84 -48.23 78.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.913 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.2 -47.51 78.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.664 -179.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 92.5 m -65.26 -41.8 93.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.859 0.362 . . . . 0.0 110.534 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 14.1 mt -56.78 -47.13 80.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.273 179.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.2 -35.32 73.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.553 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 8.0 tt -67.73 -51.78 45.25 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.874 0.368 . . . . 0.0 110.946 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.416 HD21 ' CD2' ' A' ' 177' ' ' PHE . 13.4 mt -62.06 -34.02 75.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.409 179.637 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -71.38 -52.02 14.75 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.028 179.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 58.8 p -54.01 -34.36 59.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.606 0.241 . . . . 0.0 111.389 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.432 ' CE1' ' HG3' ' A' ' 176' ' ' GLU . 14.8 m-85 -73.35 -46.66 47.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.797 0.332 . . . . 0.0 110.838 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 16.3 m -59.5 -39.35 83.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.641 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 28.5 mm -64.22 -49.25 82.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.405 179.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . 0.426 ' HA ' ' CE1' ' A' ' 162' ' ' HIS . 2.0 tp60 -59.76 -37.52 79.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.967 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.83 -28.9 44.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.844 0.354 . . . . 0.0 111.319 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -78.63 -41.37 31.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.296 -179.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.412 HD12 ' CE2' ' A' ' 144' ' ' PHE . 1.7 mt -109.77 0.52 18.88 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.04 -178.579 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.411 ' CA ' ' O ' ' A' ' 125' ' ' GLN . . . 77.97 -164.7 51.75 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.468 -0.872 . . . . 0.0 112.448 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -59.79 162.99 4.79 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.779 0.323 . . . . 0.0 110.941 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -75.83 137.9 40.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -124.39 90.63 50.6 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.15 -34.54 98.56 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.619 2.213 . . . . 0.0 112.331 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -61.47 -31.41 71.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 46.0 mt -79.42 -21.52 45.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.126 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 37.7 m80 63.65 81.54 0.2 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -142.92 119.92 1.46 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.298 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 12.3 m -142.25 -35.77 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 111.696 0.258 . . . . 0.0 111.696 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -87.92 17.95 4.53 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -79.97 -3.7 49.41 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.618 0.247 . . . . 0.0 111.303 179.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . 0.403 ' CG1' ' CD1' ' A' ' 146' ' ' LEU . 5.0 t -70.32 -25.79 27.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.752 0.311 . . . . 0.0 111.234 -179.733 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.25 -14.47 55.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.476 179.751 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -84.94 -30.56 24.2 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.822 0.344 . . . . 0.0 110.813 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' PHE . . . . . 0.412 ' CE2' HD12 ' A' ' 128' ' ' LEU . 90.7 m-85 -100.4 120.8 40.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.807 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 2.5 mttp -76.29 100.53 5.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.098 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . 0.403 ' CD1' ' CG1' ' A' ' 141' ' ' VAL . 1.0 OUTLIER -91.86 -21.14 20.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.049 179.917 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -170.63 161.81 5.94 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.072 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.1 -41.48 3.81 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.545 2.163 . . . . 0.0 112.385 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -107.64 70.66 0.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.812 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -79.31 120.14 23.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.013 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 2.9 p -118.13 169.25 9.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.815 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -49.53 -36.03 22.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.624 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -61.86 -59.92 4.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.665 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 43.2 tp -59.21 -41.17 87.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.497 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.16 -54.03 50.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.641 179.675 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -56.17 -48.39 76.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 14.1 tptt -57.51 -33.6 68.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 -179.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 60.5 t -67.07 -48.42 79.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.888 0.375 . . . . 0.0 110.842 179.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 8.3 mtt -68.28 -41.68 80.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.969 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.3 -46.28 90.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.824 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . 0.411 ' O ' ' CD2' ' A' ' 165' ' ' TYR . 56.4 mt -64.1 -42.34 96.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.828 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . 0.426 ' CE1' ' HA ' ' A' ' 125' ' ' GLN . 4.9 t-160 -56.26 -56.7 17.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.009 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.43 -26.96 62.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.973 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 1.7 m -61.7 -28.28 69.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.071 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 165' ' ' TYR . . . . . 0.411 ' CD2' ' O ' ' A' ' 161' ' ' LEU . 19.8 m-85 -87.18 -91.92 0.1 Allowed 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.913 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 1.4 mtp85 67.32 146.02 0.04 OUTLIER 'General case' 0 C--O 1.232 0.134 0 CA-C-O 120.695 0.283 . . . . 0.0 110.619 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 76.59 25.89 0.89 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.713 -179.476 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 57.2 ttm -109.51 157.85 18.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.83 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 1.2 p -107.72 161.97 21.4 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.716 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -53.42 -51.18 11.53 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.537 2.158 . . . . 0.0 111.967 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -50.71 -46.72 59.12 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.495 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -57.71 -50.76 72.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.806 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -59.91 -43.13 95.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.471 179.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -57.38 -37.93 73.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.322 179.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 1.3 tp -72.5 -37.43 68.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.439 179.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . 0.432 ' HG3' ' CE1' ' A' ' 122' ' ' TYR . 6.3 mm-40 -59.76 -54.62 44.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 112.217 -178.699 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . 0.416 ' CD2' HD21 ' A' ' 119' ' ' LEU . 15.0 t80 -70.02 -45.8 66.42 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.977 -0.289 . . . . 0.0 111.025 -179.572 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 17.9 mt -60.78 -38.54 85.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.855 0.36 . . . . 0.0 110.692 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -69.67 -32.71 71.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.648 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.68 -49.64 24.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.197 179.389 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -61.8 -37.79 85.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.693 179.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 10.7 ttpp -71.34 -32.62 68.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.702 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 13.3 mtpt -75.53 -20.96 58.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.076 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.5 mt -89.94 -16.44 29.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.225 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 11.9 m 67.25 42.72 2.2 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.902 0.382 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 42.9 mtp -72.39 -30.19 64.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.86 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 187' ' ' TYR . . . . . 0.408 ' CD1' ' N ' ' A' ' 187' ' ' TYR . 3.7 p90 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.926 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.206 0 N-CA-C 112.557 -0.217 . . . . 0.0 112.557 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -151.15 86.29 1.36 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.352 . . . . 0.0 110.922 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -99.08 30.67 3.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.838 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -163.54 127.46 2.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.808 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.33 121.77 55.87 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.856 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -71.77 -10.21 26.06 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.492 2.128 . . . . 0.0 112.58 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -104.01 30.43 5.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.818 0.342 . . . . 0.0 111.023 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -93.69 18.44 10.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.125 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.04 -34.13 12.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.841 0.353 . . . . 0.0 110.94 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.9 p -62.04 -53.1 60.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.404 ' O ' HG21 ' A' ' 92' ' ' THR . 3.5 tt0 -57.7 -35.44 70.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.252 -179.703 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -75.06 -49.02 21.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.878 0.37 . . . . 0.0 110.165 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 18.5 mt -65.07 -40.02 87.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.074 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.407 ' CG2' ' N ' ' A' ' 93' ' ' ARG . 6.2 t -62.85 -51.84 65.44 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.225 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.407 ' N ' ' CG2' ' A' ' 92' ' ' THR . 2.2 ttm105 -54.6 -49.01 71.46 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.735 0.303 . . . . 0.0 110.831 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -50.41 -58.98 4.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.958 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -59.43 -43.66 93.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.748 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.6 tp -51.67 -55.25 20.53 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.13 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.6 m -57.43 -39.79 76.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.864 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 64.5 mt -62.98 -46.74 86.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.07 -48.2 77.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.008 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.415 HD11 ' CE1' ' A' ' 187' ' ' TYR . 6.9 mt -56.24 -50.82 70.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.955 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 5.0 ttm180 -63.79 -28.57 69.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.162 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -71.34 -39.74 71.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.182 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -70.93 -35.48 72.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.229 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 9.2 mt -68.02 -52.39 39.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.444 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.403 HG23 ' N ' ' A' ' 106' ' ' ALA . 28.3 m -59.48 -31.96 47.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.667 -179.574 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.403 ' N ' HG23 ' A' ' 105' ' ' VAL . . . -81.95 -2.1 50.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.588 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 68.57 34.26 78.41 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.583 -0.817 . . . . 0.0 112.331 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.68 2.52 54.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.492 0.186 . . . . 0.0 111.411 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -154.11 134.08 7.81 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-O 120.564 0.221 . . . . 0.0 110.67 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.31 124.28 10.29 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.49 2.127 . . . . 0.0 112.46 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 14.7 m -140.01 144.48 36.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.727 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 41.2 m -80.56 161.59 24.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.109 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -54.31 -47.08 72.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.94 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -55.96 -52.36 64.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.583 -178.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 97.4 m -59.79 -46.06 90.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.802 0.334 . . . . 0.0 110.686 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 30.2 mt -52.82 -48.76 66.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.009 0.433 . . . . 0.0 110.408 179.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -68.05 -35.63 78.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.686 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 8.3 tt -68.22 -52.08 38.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.784 0.326 . . . . 0.0 111.185 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.428 HD22 ' CE1' ' A' ' 177' ' ' PHE . 8.7 mt -60.45 -34.73 74.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.995 0.426 . . . . 0.0 110.475 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -71.24 -51.05 19.26 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.112 179.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 40.7 m -53.39 -35.36 60.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.594 0.235 . . . . 0.0 111.602 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.425 ' CE1' ' HG3' ' A' ' 176' ' ' GLU . 21.1 m-85 -75.65 -42.07 52.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.748 0.309 . . . . 0.0 111.025 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 22.2 m -65.89 -40.09 91.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.77 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.421 HG23 ' CE1' ' A' ' 162' ' ' HIS . 20.7 mm -64.65 -50.97 73.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.736 179.731 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . 0.401 ' O ' ' CA ' ' A' ' 129' ' ' GLY . 4.1 tm0? -59.58 -35.31 74.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.855 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.72 -26.4 44.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.174 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -80.67 -43.58 20.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.059 -179.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -106.65 -0.76 23.45 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.881 -0.599 . . . . 0.0 112.123 -178.624 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.401 ' CA ' ' O ' ' A' ' 125' ' ' GLN . . . 74.36 -162.87 54.32 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.503 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -58.71 148.44 29.38 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.816 0.341 . . . . 0.0 111.013 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . 0.431 ' CE2' ' HG3' ' A' ' 133' ' ' PRO . 79.5 t80 -60.7 106.78 0.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -110.69 99.32 41.25 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . 0.431 ' HG3' ' CE2' ' A' ' 131' ' ' TYR . 13.6 Cg_exo -69.02 -16.43 40.65 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.686 2.257 . . . . 0.0 112.48 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 5.2 pm0 -74.39 -30.7 62.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.352 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 66.2 mt -97.39 -45.51 6.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.196 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 67.6 m80 -130.06 -177.7 4.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.907 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -132.56 -93.92 0.56 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.398 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 5.2 m -146.1 176.05 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.898 0.38 . . . . 0.0 111.208 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 71.65 8.35 6.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.572 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -80.54 -11.18 59.69 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.682 0.277 . . . . 0.0 111.254 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 3.7 t -66.14 -19.09 25.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.77 0.319 . . . . 0.0 111.251 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.7 m -63.04 -14.26 45.87 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.654 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -87.34 -28.72 22.06 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.824 0.345 . . . . 0.0 110.829 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -97.19 121.0 38.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.87 97.55 2.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.063 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.78 -24.74 28.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.085 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -175.74 166.68 1.78 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.129 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -68.89 -37.72 10.99 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.559 2.173 . . . . 0.0 112.275 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -112.98 68.03 0.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.804 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -73.65 122.39 22.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.982 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 2.8 t -118.49 160.6 21.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.899 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 31.3 mttt -45.5 -38.38 6.2 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.295 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -61.15 -52.85 63.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.682 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 50.4 tp -60.84 -45.73 93.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.473 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -58.6 -54.02 51.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.716 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -53.35 -50.33 65.25 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.841 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 7.7 tptt -57.74 -31.38 66.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.179 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 58.5 t -67.03 -52.75 40.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.956 0.408 . . . . 0.0 110.896 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 7.7 mtt -68.21 -39.0 82.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.076 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -57.11 -55.07 39.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.045 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . 0.417 ' O ' ' CD2' ' A' ' 165' ' ' TYR . 10.2 mt -64.75 -32.41 74.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . 0.421 ' CE1' HG23 ' A' ' 124' ' ' ILE . 7.1 t-160 -60.75 -56.76 17.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.76 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . 0.42 ' HG3' ' CD2' ' A' ' 131' ' ' TYR . 3.2 tttt -73.18 -28.16 62.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.901 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 38.2 t -54.69 -22.92 15.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.458 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 165' ' ' TYR . . . . . 0.432 ' O ' ' HB2' ' A' ' 166' ' ' ARG . 18.7 m-85 -91.21 -83.1 0.28 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.643 -0.253 . . . . 0.0 110.969 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 166' ' ' ARG . . . . . 0.432 ' HB2' ' O ' ' A' ' 165' ' ' TYR . 1.6 mmm180 66.65 0.16 1.76 Allowed 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.7 31.65 2.78 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.821 0.343 . . . . 0.0 111.016 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 1.7 tpp -112.48 146.07 39.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.777 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 32.4 p -91.71 159.19 38.95 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.77 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.11 -54.2 5.44 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.415 2.077 . . . . 0.0 111.765 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -52.6 -40.19 62.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.303 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -45.5 85.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.585 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -65.83 -42.23 90.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.586 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.29 -41.79 89.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.223 0.535 . . . . 0.0 110.358 179.492 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 10.9 tp -72.46 -32.31 66.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.079 179.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . 0.425 ' HG3' ' CE1' ' A' ' 122' ' ' TYR . 6.1 mm-40 -60.59 -54.1 49.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.908 -179.116 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . 0.428 ' CE1' HD22 ' A' ' 119' ' ' LEU . 65.1 t80 -71.48 -40.64 70.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.572 0.225 . . . . 0.0 110.831 -179.719 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 23.5 mt -63.08 -41.88 99.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.893 0.378 . . . . 0.0 110.551 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -69.49 -32.41 71.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.914 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.83 -49.97 22.64 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.46 179.614 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -66.12 -38.27 87.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.058 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 4.6 ttmt -64.67 -44.9 88.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.829 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 24.4 mtpt -77.91 -18.7 55.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.909 179.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.3 -13.2 61.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.312 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 4.0 p 66.21 39.25 4.27 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.874 0.369 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 12.2 mmm -82.51 -32.13 28.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.829 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 187' ' ' TYR . . . . . 0.415 ' CE1' HD11 ' A' ' 100' ' ' LEU . 3.0 p90 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.236 -0.887 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.186 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.4 m -176.53 -71.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.834 0.349 . . . . 0.0 110.87 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -122.47 32.02 5.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.931 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -165.64 143.87 5.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -114.55 116.65 43.5 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.802 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -73.53 -28.79 11.64 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.444 2.096 . . . . 0.0 112.425 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -94.47 -32.14 13.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.164 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 61.07 50.11 5.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.845 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.92 -31.98 69.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.998 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 27.8 m -55.99 -50.17 71.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.028 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -54.14 -30.7 50.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.621 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.48 -47.8 38.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.723 179.107 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 43.0 mm -62.63 -48.46 88.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.144 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.408 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 11.9 t -58.4 -51.75 68.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.315 -179.428 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -54.4 -47.28 72.92 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 111.632 0.234 . . . . 0.0 111.632 -178.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -55.25 -53.86 50.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.929 0.395 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -66.88 -28.25 68.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.201 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.408 ' HB2' ' O ' ' A' ' 92' ' ' THR . 5.9 tp -67.99 -55.29 13.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.936 0.398 . . . . 0.0 110.675 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 4.0 m -56.01 -44.54 78.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.812 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 46.6 mt -57.24 -45.24 84.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.065 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.4 ' HA ' ' HG2' ' A' ' 102' ' ' GLN . 0.0 OUTLIER -62.21 -45.15 94.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.236 -179.881 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.419 HD23 ' CD1' ' A' ' 187' ' ' TYR . 3.6 mp -70.0 -36.09 74.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.309 -179.64 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.51 -33.61 64.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.471 -179.57 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.4 ' HG2' ' HA ' ' A' ' 99' ' ' GLN . 5.2 pt20 -71.88 -37.83 70.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.804 0.335 . . . . 0.0 110.802 179.587 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.83 -46.99 61.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.175 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 27.2 mt -59.73 -52.78 57.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.399 -179.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 28.0 m -59.57 -32.26 48.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.737 0.303 . . . . 0.0 111.428 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.36 -3.18 41.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.582 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 69.96 28.26 72.02 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.459 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.21 1.74 39.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.559 0.219 . . . . 0.0 111.411 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -152.52 117.88 2.99 Favored Pre-proline 0 C--N 1.332 -0.187 0 CA-C-O 120.548 0.213 . . . . 0.0 110.739 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.82 126.56 22.89 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.424 2.083 . . . . 0.0 112.401 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 93.1 m -140.82 168.3 20.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.75 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.1 t -102.08 167.22 10.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.11 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -60.66 -50.24 74.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.859 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.35 -42.15 77.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.591 -179.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 93.0 m -71.22 -37.65 72.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.88 0.371 . . . . 0.0 110.34 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 17.8 mt -59.95 -45.35 92.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.086 179.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.99 -34.15 64.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.57 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 8.0 tt -69.71 -52.04 29.01 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.841 0.353 . . . . 0.0 110.923 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 58.1 mt -65.11 -33.88 77.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.104 0.478 . . . . 0.0 110.203 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.413 ' O ' HG12 ' A' ' 124' ' ' ILE . . . -71.14 -50.49 22.26 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.647 179.122 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 41.7 m -56.43 -32.43 64.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.728 0.299 . . . . 0.0 111.118 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.411 ' CE1' ' HG3' ' A' ' 176' ' ' GLU . 10.3 m-85 -71.36 -46.12 61.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.852 0.358 . . . . 0.0 110.352 179.475 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 72.1 m -60.16 -37.76 81.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.566 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.413 HG12 ' O ' ' A' ' 120' ' ' GLY . 28.0 mm -62.91 -49.17 84.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.109 179.349 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -56.33 -40.63 74.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.668 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.87 -24.38 44.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.712 -179.683 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.83 -41.86 20.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.946 0.403 . . . . 0.0 111.492 -178.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.422 HD12 ' CE2' ' A' ' 144' ' ' PHE . 1.1 mp -113.66 1.46 14.92 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.313 -178.098 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 68.86 -153.8 53.06 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.451 -0.881 . . . . 0.0 112.286 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -57.24 141.32 46.99 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.818 0.342 . . . . 0.0 110.941 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . 0.428 ' CD2' ' HG3' ' A' ' 163' ' ' LYS . 71.5 t80 -58.74 145.35 40.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -146.33 94.42 4.85 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . 0.418 ' HD3' ' CD2' ' A' ' 131' ' ' TYR . 46.4 Cg_endo -68.64 -27.75 32.0 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.485 2.123 . . . . 0.0 112.304 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -64.27 -31.39 72.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 38.7 mt -100.62 -39.75 7.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.826 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 20.2 m80 -83.84 -177.81 6.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.827 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -129.19 -93.93 0.73 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.583 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 10.9 m -154.19 -43.57 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.769 0.319 . . . . 0.0 111.232 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -95.92 33.21 1.73 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.076 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 43.5 p90 -75.65 -35.19 60.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.753 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 37.1 t -58.49 -22.1 19.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.063 179.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.6 m -65.4 -14.27 60.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.375 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -83.96 -26.5 29.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.717 0.294 . . . . 0.0 111.021 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' PHE . . . . . 0.422 ' CE2' HD12 ' A' ' 128' ' ' LEU . 99.2 m-85 -101.81 129.08 47.93 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.107 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -81.49 95.1 6.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.137 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.46 -20.2 24.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.227 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -166.3 162.14 12.14 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.11 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -69.66 -48.56 0.71 Allowed 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.509 2.139 . . . . 0.0 112.327 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -104.19 70.61 0.98 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.714 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -71.28 118.01 13.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.283 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 5.1 t -116.03 162.03 17.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.647 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -44.82 -44.18 9.26 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.211 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -57.01 -48.24 78.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.91 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.406 ' O ' ' CG2' ' A' ' 158' ' ' VAL . 60.2 tp -67.7 -36.8 81.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.391 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -62.47 -53.95 47.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.606 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -57.6 -48.49 79.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.912 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.48 -34.19 68.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.304 -179.15 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . 0.406 ' CG2' ' O ' ' A' ' 154' ' ' LEU . 88.2 t -67.09 -48.52 78.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.874 0.369 . . . . 0.0 110.848 179.719 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 14.2 mtt -68.47 -42.63 78.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.308 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.15 -55.29 36.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.267 -179.524 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 71.0 mt -64.26 -36.91 85.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.889 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 18.2 t-160 -57.03 -52.95 63.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.668 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . 0.428 ' HG3' ' CD2' ' A' ' 131' ' ' TYR . 12.1 tttt -74.09 -26.46 60.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.737 179.764 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 29.8 m -57.82 -25.59 60.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.191 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 165' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -92.0 134.7 34.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.81 0.338 . . . . 0.0 110.849 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 166' ' ' ARG . . . . . 0.409 ' O ' ' CB ' ' A' ' 167' ' ' SER . 4.9 mmt180 -150.44 131.04 13.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 167' ' ' SER . . . . . 0.409 ' CB ' ' O ' ' A' ' 166' ' ' ARG . 0.2 OUTLIER 79.63 40.51 0.09 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.881 -179.767 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 1.7 ttp -119.68 147.64 44.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.469 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 169' ' ' THR . . . . . 0.416 ' HB ' ' HD2' ' A' ' 170' ' ' PRO . 17.0 p -98.62 156.92 35.12 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.692 0.282 . . . . 0.0 110.791 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . 0.416 ' HD2' ' HB ' ' A' ' 169' ' ' THR . 9.0 Cg_endo -50.32 -48.46 19.98 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.728 2.286 . . . . 0.0 112.264 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -49.16 -40.98 34.98 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.234 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -44.21 95.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.675 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -67.4 -45.15 77.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.748 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.28 -40.92 78.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.619 179.592 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . 0.43 ' HG ' ' HG3' ' A' ' 179' ' ' GLU . 10.9 tp -72.28 -36.45 68.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.245 179.609 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . 0.411 ' HG3' ' CE1' ' A' ' 122' ' ' TYR . 34.7 mm-40 -57.62 -54.28 48.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.077 -0.51 . . . . 0.0 112.1 -179.078 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -71.26 -43.81 66.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.603 0.239 . . . . 0.0 110.898 -179.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 20.4 mt -59.47 -42.09 91.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.831 0.348 . . . . 0.0 110.756 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . 0.43 ' HG3' ' HG ' ' A' ' 175' ' ' LEU . 2.4 mt-10 -69.5 -32.55 71.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.805 179.61 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -70.83 -50.0 40.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.208 179.348 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -62.92 -37.86 88.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.081 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.91 -36.23 81.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.526 179.731 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.57 -18.38 64.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.0 179.686 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -107.89 -4.45 17.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.788 -179.42 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.16 81.9 0.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.861 0.362 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 16.8 mmm -108.63 -30.06 8.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 187' ' ' TYR . . . . . 0.433 ' CD1' ' N ' ' A' ' 187' ' ' TYR . 2.2 p90 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.161 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 44.1 m -147.74 134.64 20.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.799 0.333 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -150.29 -47.01 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.917 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 37.3 mtp -127.74 174.56 9.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.924 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -101.67 106.64 47.76 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -68.53 -10.93 30.48 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.421 2.081 . . . . 0.0 112.655 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -55.98 -39.76 72.3 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.777 0.323 . . . . 0.0 111.235 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 59.56 32.16 21.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.3 -22.84 64.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.63 -51.46 69.42 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.06 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -57.4 -32.2 66.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.941 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -72.58 -48.64 38.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.183 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 14.8 mt -66.81 -44.64 89.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.271 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.401 ' CG2' ' N ' ' A' ' 93' ' ' ARG . 10.2 t -58.38 -52.05 67.26 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.524 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.401 ' N ' ' CG2' ' A' ' 92' ' ' THR . 7.0 ttm105 -54.75 -45.79 74.24 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-O 120.715 0.293 . . . . 0.0 110.942 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -52.42 -59.13 4.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.915 0.388 . . . . 0.0 110.823 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -59.87 -43.99 94.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.694 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.4 tp -51.55 -55.42 19.19 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 2.9 t -56.41 -41.06 75.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.743 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 29.1 mt -62.74 -32.72 73.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.415 ' HA ' ' HG2' ' A' ' 102' ' ' GLN . 0.0 OUTLIER -72.61 -43.63 63.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.44 HD12 ' CZ ' ' A' ' 187' ' ' TYR . 7.3 mt -69.98 -35.18 74.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.038 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.97 -35.25 66.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.442 -179.577 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.415 ' HG2' ' HA ' ' A' ' 99' ' ' GLN . 11.7 pt20 -71.79 -37.07 70.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.843 0.354 . . . . 0.0 110.922 179.658 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -70.88 -46.02 63.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.214 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 27.0 mt -60.37 -53.28 51.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.356 -179.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 34.6 m -58.6 -32.16 45.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.513 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -79.93 -2.16 42.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.58 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 69.66 29.78 71.11 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.363 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 1.9 mtm180 -82.83 1.62 38.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.539 0.209 . . . . 0.0 111.437 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -153.88 134.73 8.36 Favored Pre-proline 0 C--N 1.332 -0.177 0 CA-C-N 116.73 -0.214 . . . . 0.0 110.589 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.04 123.0 9.58 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.401 2.068 . . . . 0.0 112.462 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -140.56 168.25 20.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.653 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.33 163.15 12.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.053 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.415 ' CZ ' ' HA ' ' A' ' 154' ' ' LEU . 16.5 t80 -57.91 -45.08 87.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.831 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.22 -43.81 78.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.681 -179.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 99.3 m -70.05 -38.01 75.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.904 0.383 . . . . 0.0 110.365 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 18.9 mt -59.84 -45.9 90.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.118 179.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.25 -34.43 65.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.539 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 7.4 tt -69.54 -52.03 30.11 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.841 0.353 . . . . 0.0 110.896 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.411 HD22 ' CD2' ' A' ' 177' ' ' PHE . 91.1 mt -64.07 -34.65 78.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.074 0.464 . . . . 0.0 110.434 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -71.35 -50.92 19.29 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.732 -0.747 . . . . 0.0 111.904 179.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 19.1 m -55.25 -34.44 64.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.651 0.262 . . . . 0.0 111.491 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.421 ' CE2' ' HB3' ' A' ' 176' ' ' GLU . 9.7 m-85 -73.29 -44.72 58.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.797 0.332 . . . . 0.0 110.71 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 69.4 m -62.36 -38.05 88.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.594 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.429 HG22 ' CE1' ' A' ' 162' ' ' HIS . 23.9 mm -64.14 -49.25 82.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.594 179.557 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . 0.412 ' O ' ' CA ' ' A' ' 129' ' ' GLY . 2.8 tp60 -59.9 -36.81 77.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.87 -29.24 44.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.235 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -78.6 -39.89 36.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.305 -179.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.5 mt -110.93 -0.2 16.87 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.077 -178.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . 0.412 ' CA ' ' O ' ' A' ' 125' ' ' GLN . . . 69.32 -155.29 53.45 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.552 -0.833 . . . . 0.0 112.421 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -62.01 153.22 30.18 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.816 0.341 . . . . 0.0 110.807 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . 0.423 ' CD1' ' HG2' ' A' ' 163' ' ' LYS . 78.2 t80 -64.79 162.67 15.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.95 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -136.32 90.48 17.78 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.976 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -67.19 -33.89 29.68 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.791 2.327 . . . . 0.0 112.383 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -77.06 -35.95 56.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.244 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 39.1 mt -75.74 -15.17 60.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.389 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 14.5 m170 64.69 141.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.909 0.385 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . 0.415 ' O ' ' CE2' ' A' ' 140' ' ' TYR . . . 152.34 114.2 0.58 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.314 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 23.7 m -137.72 -27.17 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -94.0 26.41 3.23 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.722 -0.217 . . . . 0.0 111.54 -179.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . 0.415 ' CE2' ' O ' ' A' ' 137' ' ' GLY . 0.2 OUTLIER -83.33 -10.82 58.26 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.632 0.253 . . . . 0.0 111.209 179.729 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 13.3 t -69.28 -30.69 46.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.872 0.367 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 42.0 t -65.82 -14.31 61.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.428 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -85.23 -30.61 23.71 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.868 0.366 . . . . 0.0 110.787 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -97.01 125.38 41.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.843 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 4.4 mtmp? -78.25 96.97 5.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -97.95 -23.6 15.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.104 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -157.65 153.73 23.51 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.236 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.85 -50.0 1.3 Allowed 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.563 2.175 . . . . 0.0 112.324 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -105.5 66.7 0.75 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.543 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -59.23 123.3 16.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.209 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 2.8 p -112.57 149.55 32.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.607 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.76 -39.33 5.12 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.915 0.388 . . . . 0.0 110.666 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -63.87 -41.19 97.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.491 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.415 ' HA ' ' CZ ' ' A' ' 113' ' ' PHE . 51.5 tp -70.28 -45.96 65.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.07 0.462 . . . . 0.0 109.994 179.28 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -58.75 -53.74 54.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.457 179.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -54.28 -50.48 67.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.826 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 14.9 tptt -57.52 -30.15 64.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.928 -179.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 62.6 t -67.04 -50.43 64.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.0 0.428 . . . . 0.0 110.526 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 7.9 mtt -68.35 -40.52 81.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.94 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -57.03 -55.3 36.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.052 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 15.0 mt -62.03 -34.81 76.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.811 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . 0.429 ' CE1' HG22 ' A' ' 124' ' ' ILE . 7.8 t-160 -56.69 -55.67 31.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.753 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . 0.423 ' HG2' ' CD1' ' A' ' 131' ' ' TYR . 28.2 mttt -72.85 -27.31 61.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.98 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 19.5 p -62.01 -25.08 67.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.204 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 165' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -91.21 137.37 32.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.86 0.362 . . . . 0.0 110.953 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.54 139.07 14.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.807 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 76.63 37.99 0.29 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.78 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 3.5 ttp -121.57 149.76 42.67 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.417 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -99.7 165.73 14.14 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 120.642 0.258 . . . . 0.0 110.867 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -58.92 -45.57 27.85 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.566 2.177 . . . . 0.0 112.152 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -51.74 -43.08 62.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.273 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.91 -46.95 84.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.727 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -65.55 -44.57 86.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.669 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -57.29 -39.48 75.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.291 0.567 . . . . 0.0 110.526 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 12.8 tp -72.64 -33.28 66.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.266 179.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . 0.421 ' HB3' ' CE2' ' A' ' 122' ' ' TYR . 50.1 mm-40 -61.39 -54.54 42.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 112.027 -178.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . 0.411 ' CD2' HD22 ' A' ' 119' ' ' LEU . 15.1 t80 -68.76 -45.74 70.62 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.628 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 34.7 mt -59.98 -38.59 82.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.882 0.372 . . . . 0.0 110.431 179.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -67.68 -33.34 74.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.833 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -71.2 -49.66 41.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.183 179.476 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -60.97 -38.55 86.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.712 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.41 -35.05 78.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.772 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.02 -19.73 65.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.949 179.582 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.2 mp -104.07 14.1 31.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.762 -179.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 6.3 m 53.26 32.7 13.96 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.823 0.344 . . . . 0.0 111.219 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 6.2 mmm -64.35 -33.75 76.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.84 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 187' ' ' TYR . . . . . 0.44 ' CZ ' HD12 ' A' ' 100' ' ' LEU . 35.5 m-85 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.917 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.192 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.2 m 60.39 99.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.772 0.32 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 41.8 m80 -157.74 33.64 0.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 21.6 mmt 62.01 121.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.004 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -76.3 125.13 88.11 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.846 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -73.49 -9.58 23.01 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.451 2.1 . . . . 0.0 112.646 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -93.09 17.04 11.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.551 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.87 -21.72 64.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.849 0.357 . . . . 0.0 110.91 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -104.89 17.77 23.55 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.211 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 16.1 p -52.85 -49.01 66.62 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.763 0.316 . . . . 0.0 111.105 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.433 ' O ' HG23 ' A' ' 92' ' ' THR . 2.7 pt-20 -51.8 -43.24 63.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.953 0.406 . . . . 0.0 110.893 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.93 -46.73 88.46 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.221 179.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 48.1 mm -60.75 -47.59 92.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.799 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.433 HG23 ' O ' ' A' ' 89' ' ' GLU . 10.1 t -67.01 -48.84 67.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.543 -0.298 . . . . 0.0 111.016 -179.603 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.423 ' HB2' ' O ' ' A' ' 89' ' ' GLU . 3.6 ttp180 -54.41 -50.03 68.55 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.299 -179.127 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -57.28 -52.96 63.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.958 0.409 . . . . 0.0 110.739 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -61.94 -28.42 69.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.959 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.9 tp -66.16 -55.22 17.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 75.1 m -57.23 -40.28 77.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 30.1 mt -59.48 -50.98 71.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.991 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -66.01 -46.4 78.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.004 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.413 HD13 ' CE1' ' A' ' 187' ' ' TYR . 2.8 mt -59.72 -46.44 89.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 4.6 tmm_? -66.39 -28.46 68.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.159 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.15 -39.43 71.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -70.68 -39.82 73.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 14.7 mt -64.13 -52.12 60.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.229 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 27.3 m -58.07 -32.35 43.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.561 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -82.83 -3.71 57.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.54 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 69.08 32.85 73.27 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.297 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -84.62 2.65 40.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.533 0.206 . . . . 0.0 111.392 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.1 tt -156.62 118.78 2.2 Favored Pre-proline 0 C--N 1.332 -0.171 0 CA-C-O 120.537 0.208 . . . . 0.0 110.711 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.87 129.44 35.22 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.462 2.108 . . . . 0.0 112.422 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 61.1 m -141.92 157.58 44.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.704 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 17.7 p -88.76 160.47 17.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.035 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -58.56 -49.76 76.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.852 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.39 -39.49 73.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.493 -179.165 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 92.1 m -71.91 -40.03 69.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.881 0.372 . . . . 0.0 110.347 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 19.7 mt -58.74 -47.11 85.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.287 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -71.43 -35.9 71.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.461 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 9.0 tt -67.18 -51.81 49.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.917 0.389 . . . . 0.0 110.844 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.422 HD22 ' CD2' ' A' ' 177' ' ' PHE . 54.0 mt -62.2 -33.77 75.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.187 179.491 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -71.32 -51.8 15.84 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.216 179.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 14.1 m -53.68 -36.42 62.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.645 0.26 . . . . 0.0 111.436 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.453 ' CG ' ' OE2' ' A' ' 176' ' ' GLU . 26.0 m-85 -72.69 -44.7 61.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.724 0.297 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 18.2 m -58.84 -41.03 85.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.887 0.375 . . . . 0.0 110.373 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 23.1 mm -62.39 -47.69 91.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.261 179.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -57.76 -38.15 74.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.64 179.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 21.6 t -78.81 -24.62 44.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.194 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.91 -40.64 24.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.335 -179.088 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.5 mp -114.74 1.41 14.14 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.351 -178.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 80.92 -102.42 2.14 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.565 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -110.12 -178.32 3.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.853 0.358 . . . . 0.0 110.862 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -74.07 122.47 22.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.81 90.61 36.83 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.848 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -73.55 -19.38 21.72 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.575 2.183 . . . . 0.0 112.587 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -67.41 -42.82 82.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.025 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 60.4 mt -81.62 -45.46 15.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.032 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 16.1 m80 -161.65 170.31 19.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 166.63 52.13 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.605 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 10.5 m -157.16 -48.06 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.766 0.317 . . . . 0.0 111.325 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -146.08 36.26 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.07 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . 0.419 ' CZ ' ' HG2' ' A' ' 159' ' ' MET . 48.8 p90 -75.52 -34.67 60.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.837 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . 0.403 HG23 ' CE1' ' A' ' 140' ' ' TYR . 25.5 t -62.35 -19.38 22.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.221 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.1 m -63.98 -14.15 51.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.621 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.51 -28.34 22.08 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.777 0.322 . . . . 0.0 110.89 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -94.29 128.5 40.82 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.992 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 15.3 mtmt -83.0 93.36 7.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.013 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . 0.403 ' CD1' ' CG1' ' A' ' 141' ' ' VAL . 2.9 mt -87.44 -19.83 27.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.255 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -171.24 163.04 5.18 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 120.745 0.307 . . . . 0.0 111.181 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -68.14 -46.63 2.12 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.57 2.18 . . . . 0.0 112.195 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 -104.78 70.49 0.93 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.789 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -75.7 118.77 18.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.026 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 1.9 t -115.79 161.5 18.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.741 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.9 -39.22 5.23 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.242 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -60.4 -49.31 78.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.697 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 41.4 tp -64.23 -43.57 94.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.386 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -60.01 -54.02 50.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.636 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -53.54 -51.34 63.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 2.2 tptm -57.47 -31.8 66.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.082 -179.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 93.3 t -67.09 -51.41 54.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.836 0.35 . . . . 0.0 110.887 179.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' MET . . . . . 0.419 ' HG2' ' CZ ' ' A' ' 140' ' ' TYR . 8.8 mtt -68.16 -41.46 81.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.113 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -59.41 -53.63 55.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 26.3 mt -61.23 -37.85 84.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -56.8 -56.6 19.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.699 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.86 -26.79 63.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.762 179.686 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 47.2 t -60.61 -26.6 67.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.143 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 165' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -93.7 137.77 32.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.881 0.372 . . . . 0.0 110.92 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.19 136.83 14.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 78.39 38.84 0.16 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 1.7 ttp -121.46 147.47 45.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.565 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 40.2 p -99.16 157.64 33.69 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.722 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -51.44 -47.52 25.69 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.639 2.226 . . . . 0.0 112.135 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -49.07 -42.9 40.28 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.434 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.09 -42.13 84.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.873 0.368 . . . . 0.0 110.462 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . 0.451 ' O ' ' HG3' ' A' ' 176' ' ' GLU . . . -71.06 -34.24 71.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.471 179.507 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.1 -44.77 79.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.348 179.38 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 14.2 tp -72.31 -43.86 63.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.199 -0.909 . . . . 0.0 112.246 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . 0.453 ' OE2' ' CG ' ' A' ' 122' ' ' TYR . 3.0 pp20? -60.17 -49.09 79.01 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -178.368 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . 0.422 ' CD2' HD22 ' A' ' 119' ' ' LEU . 5.5 t80 -71.14 -45.38 63.67 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.474 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 178' ' ' LEU . . . . . 0.4 ' CD1' ' CG ' ' A' ' 93' ' ' ARG . 59.0 mt -59.83 -37.98 80.72 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.004 0.431 . . . . 0.0 110.14 179.332 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.39 -32.04 70.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.546 179.326 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -71.27 -49.88 38.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.001 179.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -61.46 -37.48 83.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.822 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.45 -38.67 87.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.781 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 11.7 mtpt -77.85 -20.92 52.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.176 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.3 mt -88.96 -5.93 57.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.349 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 5.0 t 62.54 32.34 16.56 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.861 0.362 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 14.7 mmm -64.92 -37.72 88.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 187' ' ' TYR . . . . . 0.413 ' CE1' HD13 ' A' ' 100' ' ' LEU . 4.7 p90 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.171 -0.919 . . . . 0.0 110.928 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.2 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.2 m 60.29 176.73 0.09 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.765 0.317 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 60.01 31.27 20.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.841 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.17 151.07 41.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.934 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -79.3 157.98 74.76 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -67.5 -24.48 42.34 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.573 2.182 . . . . 0.0 112.291 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -79.59 -51.26 9.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.121 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 58.8 39.51 24.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.819 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.66 -33.69 76.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.136 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 72.9 p -54.55 -51.85 63.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.107 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -54.49 -29.99 51.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.966 0.412 . . . . 0.0 110.621 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.52 -48.01 29.61 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 44.7 mm -60.69 -46.28 96.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.877 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.413 ' CG2' ' N ' ' A' ' 93' ' ' ARG . 7.5 t -63.98 -52.66 58.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.872 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.413 ' N ' ' CG2' ' A' ' 92' ' ' THR . 1.6 tmm_? -54.65 -51.14 66.37 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-O 120.621 0.248 . . . . 0.0 111.443 -179.283 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -52.06 -55.97 17.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.865 0.364 . . . . 0.0 111.042 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -60.6 -43.19 97.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.824 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.4 tp -51.79 -55.5 19.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.1 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 57.3 m -56.54 -43.46 79.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.877 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 43.7 mt -59.93 -46.97 87.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -65.0 -48.6 73.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.941 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.2 mt -57.94 -49.77 75.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -28.78 70.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.988 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -71.24 -40.26 71.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.841 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -70.81 -40.89 72.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.092 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 10.4 mt -63.82 -53.36 45.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.2 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 27.2 m -58.86 -32.47 47.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.318 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -84.0 -1.16 54.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.56 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 68.7 29.43 72.74 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.505 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.05 -0.08 42.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.558 0.218 . . . . 0.0 111.402 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.7 mt -149.59 136.96 11.27 Favored Pre-proline 0 C--N 1.332 -0.186 0 CA-C-O 120.628 0.251 . . . . 0.0 110.684 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.18 120.49 6.6 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.505 2.137 . . . . 0.0 112.256 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 53.4 m -138.97 168.25 20.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.71 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 58.5 m -102.21 160.87 14.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.019 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -54.45 -46.78 73.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.043 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.03 -49.15 74.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.693 -178.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 80.9 m -63.97 -41.29 97.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.786 0.327 . . . . 0.0 110.561 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 47.6 mt -56.96 -49.7 74.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.08 0.467 . . . . 0.0 110.142 179.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -67.29 -35.86 80.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.417 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.42 ' HG ' ' CE2' ' A' ' 122' ' ' TYR . 7.4 tt -67.11 -51.97 47.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.886 0.374 . . . . 0.0 110.99 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.446 ' CD2' ' CD2' ' A' ' 177' ' ' PHE . 17.7 mt -59.92 -33.9 72.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.49 179.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -71.34 -50.81 19.85 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.173 179.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 8.9 m -53.5 -36.9 62.21 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 111.692 0.256 . . . . 0.0 111.692 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.452 ' CE2' ' HB3' ' A' ' 176' ' ' GLU . 23.1 m-85 -74.38 -44.65 51.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.743 0.306 . . . . 0.0 111.023 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 90.3 m -60.47 -43.56 96.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.487 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 17.6 mm -61.26 -48.64 88.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.258 179.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . 0.421 ' HA ' ' CE1' ' A' ' 162' ' ' HIS . 3.0 tm0? -58.54 -38.32 77.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.996 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 29.8 t -78.66 -25.56 44.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.377 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -81.02 -43.82 19.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.282 -179.277 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.1 mt -108.5 0.56 20.99 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.074 -0.512 . . . . 0.0 112.126 -178.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 80.1 -100.76 1.91 Allowed Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.347 -0.93 . . . . 0.0 112.737 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -108.8 175.87 5.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.879 0.371 . . . . 0.0 111.125 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . 0.423 ' HB2' ' CD2' ' A' ' 162' ' ' HIS . 2.2 t80 -99.0 104.5 16.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.91 91.79 43.67 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.826 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -63.26 -30.3 73.82 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.605 2.203 . . . . 0.0 112.206 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -63.34 -31.53 72.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.027 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 49.3 mt -82.17 -45.46 15.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.975 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -112.56 -77.65 0.58 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.953 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 153.89 -111.8 0.5 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.483 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 14.6 m -158.13 160.17 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.9 0.381 . . . . 0.0 111.186 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 3.1 t0 64.02 26.55 14.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.168 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . 0.406 ' OH ' ' CZ ' ' A' ' 131' ' ' TYR . 0.1 OUTLIER -85.52 1.81 47.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.414 179.862 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 2.7 t -74.42 -6.95 9.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.627 -0.26 . . . . 0.0 111.471 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.63 -14.26 29.32 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.677 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -90.27 -27.79 19.22 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.843 0.354 . . . . 0.0 110.724 179.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -93.95 121.16 35.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 12.3 mttm -74.27 94.59 2.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.096 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 3.9 mt -82.76 -24.1 33.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.989 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -175.86 165.98 1.81 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.968 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -63.97 -49.28 4.08 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.499 2.133 . . . . 0.0 112.222 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -104.6 69.8 0.91 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.789 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -75.49 121.78 22.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.02 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 4.9 p -120.43 165.94 14.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.827 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 20.9 mttt -49.04 -33.67 11.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.662 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -63.76 -56.16 17.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.531 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 40.6 tp -59.42 -46.46 88.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.337 179.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -58.0 -54.2 49.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.539 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -53.14 -49.23 67.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.826 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 10.7 tptt -57.84 -31.1 66.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 44.2 t -66.76 -50.6 64.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.901 0.382 . . . . 0.0 110.72 179.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 9.9 mtt -68.33 -37.82 80.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.984 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.96 -55.31 34.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.15 -179.697 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 11.8 mt -61.17 -36.44 79.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . 0.423 ' CD2' ' HB2' ' A' ' 131' ' ' TYR . 3.5 t-160 -55.76 -50.35 70.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.047 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . 0.419 ' HG3' ' CG ' ' A' ' 131' ' ' TYR . 9.5 mtpt -81.38 -22.68 38.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.165 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 25.2 p -58.21 -25.96 62.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.232 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 165' ' ' TYR . . . . . 0.426 ' CE1' ' HE3' ' A' ' 168' ' ' MET . 9.8 m-85 -73.38 117.3 14.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.819 0.342 . . . . 0.0 110.976 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 166' ' ' ARG . . . . . 0.544 ' O ' ' CB ' ' A' ' 167' ' ' SER . 15.6 mtp-105 -76.81 49.99 0.67 Allowed 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -179.152 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 167' ' ' SER . . . . . 0.544 ' CB ' ' O ' ' A' ' 166' ' ' ARG . 1.4 t 95.33 63.4 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.194 0.521 . . . . 0.0 111.103 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 168' ' ' MET . . . . . 0.426 ' HE3' ' CE1' ' A' ' 165' ' ' TYR . 50.3 ttm -82.91 152.86 25.35 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.283 179.155 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -105.0 163.21 17.63 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.805 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -52.77 -52.26 9.26 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.491 2.127 . . . . 0.0 111.732 179.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -49.94 -42.65 48.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.311 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -57.9 -46.35 85.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.605 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -67.06 -39.72 86.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.59 179.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.77 -44.57 95.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.493 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 17.6 tp -72.42 -35.33 68.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.268 179.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . 0.452 ' HB3' ' CE2' ' A' ' 122' ' ' TYR . 7.6 mm-40 -59.33 -54.66 44.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.96 -178.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . 0.446 ' CD2' ' CD2' ' A' ' 119' ' ' LEU . 14.8 t80 -69.4 -47.28 64.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.653 0.263 . . . . 0.0 110.888 -179.659 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 25.5 mt -58.84 -39.39 81.13 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.861 0.362 . . . . 0.0 110.64 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.08 -32.94 72.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.766 179.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -73.17 -49.87 25.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.214 179.502 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -61.32 -37.95 85.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.549 179.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 26.6 tttt -68.83 -34.46 75.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.603 179.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -19.66 65.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.013 179.598 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.2 mp -104.16 -12.58 16.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.696 -179.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 4.3 m 64.27 34.97 10.31 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.829 0.347 . . . . 0.0 110.871 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 2.6 mmm -60.15 -30.6 69.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 187' ' ' TYR . . . . . . . . . . . . . 4.4 p90 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.249 -0.882 . . . . 0.0 110.899 -179.991 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.195 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.61 135.66 35.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.838 0.352 . . . . 0.0 110.865 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -105.3 37.92 2.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -167.88 121.64 0.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -120.89 100.58 46.07 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.83 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.14 -3.41 13.81 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.56 2.173 . . . . 0.0 112.827 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -85.49 -31.52 22.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.753 0.311 . . . . 0.0 111.246 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -63.92 -23.19 67.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.259 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.12 -14.91 17.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.481 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 89.8 m -53.31 -50.27 65.28 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.689 0.28 . . . . 0.0 111.11 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.22 -31.86 61.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.96 0.41 . . . . 0.0 110.631 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.56 -47.91 44.29 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 179.014 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 47.6 mm -60.53 -44.17 95.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.087 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.427 ' CG2' ' N ' ' A' ' 93' ' ' ARG . 5.8 t -68.8 -51.24 42.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.487 -179.416 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.441 ' HG3' ' N ' ' A' ' 94' ' ' TYR . 0.0 OUTLIER -54.56 -38.34 66.54 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 -178.479 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.441 ' N ' ' HG3' ' A' ' 93' ' ' ARG . 18.7 t80 -69.63 -51.25 36.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.897 0.379 . . . . 0.0 110.449 179.583 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -61.87 -28.31 69.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.808 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.8 tp -67.9 -55.3 13.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.786 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 39.0 t -55.22 -40.14 70.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.928 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 16.1 mt -60.88 -47.73 85.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.723 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -64.71 -47.84 76.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.416 HD12 ' CE1' ' A' ' 187' ' ' TYR . 8.6 mt -60.38 -46.93 88.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.848 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.22 -28.89 70.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -71.1 -39.36 72.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.114 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -70.95 -34.32 71.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.063 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 10.0 mt -69.36 -54.47 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.363 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 26.9 m -58.73 -32.07 45.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.504 -179.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -82.74 -3.24 56.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.625 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 65.8 41.93 95.38 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.37 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -92.68 5.69 50.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.599 0.238 . . . . 0.0 111.442 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -156.21 134.8 7.48 Favored Pre-proline 0 CA--C 1.53 0.178 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.623 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.38 125.83 12.82 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.375 2.05 . . . . 0.0 112.389 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 60.0 m -138.15 168.27 20.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.648 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 41.7 t -101.6 161.74 13.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.916 0.389 . . . . 0.0 111.143 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.428 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 14.2 t80 -56.08 -49.65 73.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.964 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.18 -46.0 79.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.66 -178.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 90.0 m -64.44 -44.09 92.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.823 0.344 . . . . 0.0 110.623 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 20.5 mt -54.91 -49.39 71.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.343 179.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -67.11 -36.36 81.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.478 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.412 ' HG ' ' CE2' ' A' ' 122' ' ' TYR . 5.8 tt -66.33 -51.77 53.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.917 0.389 . . . . 0.0 110.888 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.417 HD22 ' CD2' ' A' ' 177' ' ' PHE . 43.3 mt -59.92 -33.89 72.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.435 179.669 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -71.36 -51.81 15.66 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.184 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 69.1 m -53.55 -34.91 59.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.57 0.224 . . . . 0.0 111.42 -179.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.417 ' CE1' ' HG3' ' A' ' 176' ' ' GLU . 15.4 m-85 -74.26 -44.19 53.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.841 0.353 . . . . 0.0 110.743 179.775 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 34.0 m -62.2 -41.63 98.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.634 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 12.2 mm -62.28 -50.08 81.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.526 179.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . 0.417 ' HA ' ' CE1' ' A' ' 162' ' ' HIS . 12.5 tp60 -59.28 -36.92 76.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.081 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 53.3 p -78.65 -26.53 45.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.356 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.402 ' OE1' ' CD1' ' A' ' 144' ' ' PHE . 2.1 mt-10 -80.97 -44.46 18.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.28 -179.3 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.413 HD11 ' CE2' ' A' ' 144' ' ' PHE . 1.3 mt -106.91 0.16 23.64 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.052 -0.522 . . . . 0.0 112.13 -178.564 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 80.04 -101.66 1.97 Allowed Glycine 0 C--N 1.33 0.243 0 C-N-CA 120.422 -0.894 . . . . 0.0 112.758 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.63 -179.56 3.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.865 0.364 . . . . 0.0 110.992 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -76.52 109.91 10.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.931 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -117.06 94.59 45.15 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.811 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -77.44 0.68 9.53 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.598 2.198 . . . . 0.0 112.907 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -76.62 -39.21 53.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.764 0.316 . . . . 0.0 111.214 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 29.6 mt -94.07 -45.54 7.52 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.245 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 51.7 m80 -123.5 -175.74 3.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.826 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 160.13 127.42 0.9 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.809 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 24.0 t 65.89 118.23 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.914 0.388 . . . . 0.0 111.551 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 55.59 22.22 5.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.501 179.636 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . 0.43 ' CE1' ' HG2' ' A' ' 159' ' ' MET . 0.0 OUTLIER -72.39 -3.57 24.85 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -179.67 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 20.4 t -85.05 1.68 4.64 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 CA-C-O 120.709 0.29 . . . . 0.0 111.347 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 7.0 t -63.13 -14.04 43.92 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.737 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -90.76 -24.35 20.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.706 0.289 . . . . 0.0 111.034 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' PHE . . . . . 0.413 ' CE2' HD11 ' A' ' 128' ' ' LEU . 91.8 m-85 -101.18 118.41 36.92 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.11 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.84 97.32 5.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.002 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 2.6 mt -86.11 -20.85 28.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.2 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -172.11 155.92 3.71 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.103 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -63.97 -25.71 66.66 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.535 2.156 . . . . 0.0 112.333 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -125.13 63.49 1.15 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.844 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -69.52 120.67 15.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.965 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 5.4 t -115.78 161.6 18.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.928 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.76 -43.54 8.61 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.31 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . 0.428 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -56.7 -53.42 57.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.751 179.881 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 53.4 tp -61.36 -41.85 97.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.539 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -59.36 -53.97 52.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.829 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -54.44 -51.33 65.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.948 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 3.6 tptp -57.46 -30.94 65.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.136 -179.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 84.5 t -66.98 -49.56 72.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.902 0.382 . . . . 0.0 110.71 179.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' MET . . . . . 0.43 ' HG2' ' CE1' ' A' ' 140' ' ' TYR . 28.1 mtm -68.35 -41.26 80.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.117 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.94 -51.26 70.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.135 -179.716 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 11.5 mt -65.39 -36.45 84.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.086 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . 0.417 ' CE1' ' HA ' ' A' ' 125' ' ' GLN . 3.9 t60 -64.89 -56.66 12.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.96 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -31.65 69.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.606 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.36 -22.9 13.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.406 -179.646 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 165' ' ' TYR . . . . . 0.403 ' CG ' ' HE3' ' A' ' 168' ' ' MET . 16.6 m-85 -94.37 130.08 40.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.625 0.25 . . . . 0.0 110.747 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.16 -6.58 4.36 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.003 0.372 . . . . 0.0 112.003 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 6.4 m -140.35 10.89 2.33 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.694 0.257 . . . . 0.0 111.694 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 168' ' ' MET . . . . . 0.403 ' HE3' ' CG ' ' A' ' 165' ' ' TYR . 37.7 ttm -69.47 141.04 54.07 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.861 0.362 . . . . 0.0 111.037 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 19.9 p -95.84 154.64 38.99 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.76 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -51.16 -55.22 4.25 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.596 2.197 . . . . 0.0 111.84 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -51.67 -37.29 49.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.135 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.9 -43.59 86.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.467 179.653 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -67.46 -45.38 76.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.663 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.35 -43.36 83.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.537 179.606 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 12.5 tp -72.25 -29.38 63.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.06 179.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . 0.417 ' HG3' ' CE1' ' A' ' 122' ' ' TYR . 5.7 mm-40 -61.62 -52.49 64.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.684 -179.298 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . 0.417 ' CD2' HD22 ' A' ' 119' ' ' LEU . 18.3 t80 -71.62 -43.82 65.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.633 0.254 . . . . 0.0 110.861 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 32.0 mt -61.63 -43.08 99.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.916 0.388 . . . . 0.0 110.614 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -68.0 -32.32 72.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.876 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -73.5 -49.65 25.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.36 179.57 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -61.29 -37.85 84.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.789 179.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 8.1 tptt -71.11 -33.88 70.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.866 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -77.47 -22.24 51.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.111 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.6 mt -89.6 -0.33 57.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.357 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 20.9 m 63.49 36.73 11.04 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.895 0.379 . . . . 0.0 110.928 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 11.7 mtp -64.61 -41.59 96.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.924 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 187' ' ' TYR . . . . . 0.416 ' CE1' HD12 ' A' ' 100' ' ' LEU . 7.6 p90 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.967 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.258 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 74.1 p -125.49 118.18 25.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.798 0.333 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -95.96 130.39 42.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 37.0 tpp -143.12 160.51 40.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.89 153.9 39.02 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -68.71 -20.39 40.28 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.585 2.19 . . . . 0.0 112.463 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -78.18 -33.29 50.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.109 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -95.1 40.76 1.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 33.7 mt -93.11 15.48 15.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.256 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 7.8 m -55.78 -48.44 75.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.822 0.344 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.443 ' O ' HG23 ' A' ' 92' ' ' THR . 0.7 OUTLIER -51.83 -48.46 63.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 179.891 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -54.94 -46.33 74.95 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.052 0.453 . . . . 0.0 110.544 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 40.6 mm -62.25 -49.29 84.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.915 -179.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.443 HG23 ' O ' ' A' ' 89' ' ' GLU . 7.6 t -65.69 -50.68 64.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.278 -179.34 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.422 ' N ' HG22 ' A' ' 92' ' ' THR . 0.0 OUTLIER -54.44 -46.07 73.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.599 0.238 . . . . 0.0 111.438 -179.126 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -58.93 -54.54 45.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.922 0.391 . . . . 0.0 110.638 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -62.46 -28.49 69.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.907 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.0 tp -66.15 -55.17 17.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.903 0.382 . . . . 0.0 110.643 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 35.4 m -55.23 -41.11 71.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.634 179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 48.5 mt -58.93 -44.68 91.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.776 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.493 ' O ' ' HG3' ' A' ' 102' ' ' GLN . 0.9 OUTLIER -64.6 -40.74 96.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 179.91 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.429 HD11 ' CZ ' ' A' ' 187' ' ' TYR . 11.1 mt -70.61 -36.79 73.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.98 -35.45 59.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.9 -179.172 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.493 ' HG3' ' O ' ' A' ' 99' ' ' GLN . 0.1 OUTLIER -71.99 -36.37 69.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.894 0.378 . . . . 0.0 110.81 179.526 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -71.11 -49.87 39.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.077 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 41.0 mt -57.11 -50.19 77.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.21 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 27.6 m -60.03 -32.25 49.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.778 0.323 . . . . 0.0 111.298 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -77.72 -2.7 37.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.617 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 71.45 28.21 70.02 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.502 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 10.8 tpt180 -85.77 2.66 44.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.522 0.201 . . . . 0.0 111.43 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -155.97 136.79 9.07 Favored Pre-proline 0 C--N 1.332 -0.191 0 CA-C-O 120.594 0.235 . . . . 0.0 110.647 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -72.08 127.21 12.57 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.45 2.1 . . . . 0.0 112.375 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 6.4 p -138.44 168.26 20.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.731 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.16 162.1 13.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.027 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.435 ' CZ ' ' HB3' ' A' ' 153' ' ' GLU . 15.6 t80 -57.91 -48.78 78.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.923 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.25 -50.63 70.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.7 -178.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 69.2 m -63.54 -40.6 97.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.821 0.343 . . . . 0.0 110.531 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 13.6 mt -57.65 -46.81 83.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.185 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.76 -35.23 74.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.373 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 7.6 tt -67.44 -51.78 47.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.898 0.38 . . . . 0.0 110.786 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.449 ' CD2' ' CD2' ' A' ' 177' ' ' PHE . 13.8 mt -60.56 -35.44 76.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.549 179.689 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -71.31 -52.32 13.77 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.344 179.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 28.1 t -53.53 -34.41 58.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.704 0.287 . . . . 0.0 111.457 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.427 ' CE2' ' HB3' ' A' ' 176' ' ' GLU . 16.3 m-85 -74.5 -43.73 54.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.722 0.296 . . . . 0.0 110.814 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -60.82 -40.27 92.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.393 179.777 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 27.8 mm -64.02 -47.93 88.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.23 179.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . 0.435 ' HA ' ' CE1' ' A' ' 162' ' ' HIS . 15.5 tp60 -58.21 -37.79 75.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.814 179.724 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 13.7 p -78.83 -26.54 44.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.311 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.85 -43.03 23.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.289 -179.245 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.2 mt -110.3 1.96 18.85 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.149 -178.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 78.1 -97.79 1.43 Allowed Glycine 0 C--N 1.331 0.255 0 C-N-CA 120.311 -0.947 . . . . 0.0 112.535 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 24.8 p30 -125.67 157.15 38.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.775 0.321 . . . . 0.0 110.763 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . 0.432 ' CZ ' ' HD2' ' A' ' 163' ' ' LYS . 56.6 t80 -62.01 130.69 46.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -136.92 97.23 11.17 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.781 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -68.07 -25.39 37.88 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.499 2.132 . . . . 0.0 112.356 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.65 -30.99 59.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.973 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 81.1 mt -98.07 -45.46 6.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.974 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 36.8 m80 -109.62 168.98 9.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -104.83 -126.32 5.76 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.527 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 14.4 m -143.37 159.44 17.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.909 0.385 . . . . 0.0 111.08 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 64.0 28.68 14.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.025 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -86.09 -8.38 57.93 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.197 179.761 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . 0.417 ' CG1' ' CD1' ' A' ' 146' ' ' LEU . 3.0 t -70.47 -19.01 21.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.757 0.313 . . . . 0.0 111.129 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 9.4 t -67.21 -13.96 62.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.394 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.41 -28.81 20.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.836 0.35 . . . . 0.0 110.814 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -80.58 145.37 31.78 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.94 82.79 6.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.068 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . 0.417 ' CD1' ' CG1' ' A' ' 141' ' ' VAL . 0.6 OUTLIER -89.93 -24.3 21.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -169.54 165.02 6.47 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.133 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.81 -44.41 1.38 Allowed 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.523 2.149 . . . . 0.0 112.283 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -108.33 68.75 0.7 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.827 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . 0.401 ' NE2' ' CD1' ' A' ' 146' ' ' LEU . 15.5 tt0 -75.48 119.9 20.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.983 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 59.7 p -113.66 164.15 14.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.745 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 2.7 pttm -49.34 -34.06 14.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.461 179.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . 0.435 ' HB3' ' CZ ' ' A' ' 113' ' ' PHE . 27.3 mm-40 -62.75 -55.99 21.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.543 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 29.0 tp -59.21 -47.24 86.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.321 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -57.61 -53.89 53.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.731 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -57.18 -48.99 77.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 8.1 tptt -57.26 -33.97 68.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.279 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 49.8 t -67.03 -46.63 84.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.924 0.392 . . . . 0.0 110.627 179.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 11.2 mtt -68.2 -42.43 79.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.836 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.29 -54.9 41.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.772 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . 0.418 ' O ' ' CD2' ' A' ' 165' ' ' TYR . 52.8 mt -57.62 -38.48 75.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.656 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . 0.435 ' CE1' ' HA ' ' A' ' 125' ' ' GLN . 3.1 t-160 -60.28 -56.61 19.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.882 179.779 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . 0.432 ' HD2' ' CZ ' ' A' ' 131' ' ' TYR . 18.0 mtpp -66.25 -33.2 75.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.077 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 10.9 p -67.99 -21.06 65.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.441 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 165' ' ' TYR . . . . . 0.418 ' CD2' ' O ' ' A' ' 161' ' ' LEU . 11.2 m-85 -74.05 125.65 28.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.848 0.356 . . . . 0.0 111.131 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.84 -159.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.547 179.683 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.85 72.76 0.17 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.966 0.412 . . . . 0.0 110.684 179.749 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 23.5 ttp -85.23 158.48 20.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.07 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 169' ' ' THR . . . . . 0.41 ' HB ' ' HD2' ' A' ' 170' ' ' PRO . 75.3 p -112.31 157.58 39.59 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.623 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . 0.41 ' HD2' ' HB ' ' A' ' 169' ' ' THR . 6.5 Cg_endo -48.67 -52.04 9.28 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.742 2.295 . . . . 0.0 112.225 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -48.97 -44.32 40.82 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.339 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.97 -44.42 87.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.492 179.741 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -64.98 -45.99 83.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.56 179.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.83 -41.32 82.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.556 179.518 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 9.7 tp -72.34 -37.73 68.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.542 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . 0.427 ' HB3' ' CE2' ' A' ' 122' ' ' TYR . 10.3 mm-40 -57.56 -54.55 45.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.271 -0.422 . . . . 0.0 112.102 -178.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . 0.449 ' CD2' ' CD2' ' A' ' 119' ' ' LEU . 9.3 t80 -70.46 -43.56 69.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.142 -179.55 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 87.1 mt -61.52 -40.99 96.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.776 0.322 . . . . 0.0 110.953 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -69.54 -32.81 71.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.755 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -72.9 -49.98 26.44 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.333 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -62.05 -37.62 85.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.855 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 19.4 ttpp -68.13 -37.92 81.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.898 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.67 -21.01 52.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.228 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.3 mt -89.49 -0.61 57.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.428 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 11.2 p 59.03 35.29 23.93 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.878 0.37 . . . . 0.0 110.95 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 35.2 mmm -67.37 -15.04 63.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.211 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 187' ' ' TYR . . . . . 0.429 ' CZ ' HD11 ' A' ' 100' ' ' LEU . 5.4 m-85 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.918 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.194 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.0 m -125.26 134.42 52.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.866 0.365 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 4.4 p80 -170.92 136.57 1.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 2.3 ttp -88.15 137.19 32.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.32 114.1 30.24 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.37 -9.15 25.27 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.437 2.092 . . . . 0.0 112.625 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -96.93 24.17 6.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.766 0.317 . . . . 0.0 111.226 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -99.55 21.69 11.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.963 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -78.37 -49.72 13.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.814 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.2 m -66.34 -48.61 69.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.405 ' O ' HG23 ' A' ' 92' ' ' THR . 14.9 mt-10 -53.95 -29.91 44.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.924 0.392 . . . . 0.0 110.682 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.27 -47.61 48.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.853 179.28 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 46.4 mm -60.77 -46.59 95.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.25 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.425 ' O ' ' HB2' ' A' ' 96' ' ' LEU . 10.9 t -62.56 -49.89 73.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.318 -179.576 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -54.16 -48.18 71.18 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 111.628 0.233 . . . . 0.0 111.628 -178.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -57.78 -54.1 50.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.93 0.395 . . . . 0.0 110.877 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -63.55 -28.39 69.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.281 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' A' ' 92' ' ' THR . 5.8 tp -68.46 -55.41 11.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.903 0.382 . . . . 0.0 110.768 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 60.7 m -54.59 -43.17 71.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.829 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 85.8 mt -59.61 -45.16 92.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -66.36 -48.57 69.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.032 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.6 mt -61.18 -43.13 99.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.763 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.98 -28.46 68.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.21 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -71.37 -41.92 69.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.231 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -70.42 -41.55 72.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.26 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 11.6 mt -62.89 -52.9 53.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.403 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.403 ' CG1' ' O ' ' A' ' 145' ' ' LYS . 34.0 m -57.82 -32.46 43.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.66 -179.698 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -79.99 -2.01 42.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.608 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 68.26 37.81 86.92 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.541 -0.837 . . . . 0.0 112.166 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 8.2 ttt-85 -93.93 4.18 54.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.485 0.183 . . . . 0.0 111.457 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -153.68 109.03 2.54 Favored Pre-proline 0 C--N 1.332 -0.19 0 CA-C-O 120.592 0.234 . . . . 0.0 110.607 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -50.66 128.59 24.38 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.519 2.146 . . . . 0.0 112.56 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 72.0 m -143.64 168.29 20.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.676 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.95 160.22 14.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.036 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.419 ' CZ ' ' HA ' ' A' ' 154' ' ' LEU . 14.6 t80 -58.31 -46.6 85.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.805 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.52 -42.04 77.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.588 -179.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 96.5 m -71.55 -37.52 71.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.928 0.394 . . . . 0.0 110.335 179.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 15.8 mt -61.16 -44.78 96.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.179 179.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.91 -34.77 64.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.321 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 8.2 tt -68.76 -51.92 35.99 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.866 0.365 . . . . 0.0 110.757 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.423 HD23 ' CD2' ' A' ' 177' ' ' PHE . 50.2 mt -65.57 -34.47 78.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.235 179.531 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -71.28 -49.93 24.05 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.156 179.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 11.4 t -57.84 -34.26 69.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.731 0.301 . . . . 0.0 111.212 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.406 ' CE2' ' CD ' ' A' ' 176' ' ' GLU . 15.6 m-85 -72.7 -42.09 64.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.702 179.768 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 19.4 m -60.16 -42.13 94.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.277 179.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 17.2 mm -62.55 -45.53 98.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.156 179.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . 0.428 ' HA ' ' CE1' ' A' ' 162' ' ' HIS . 7.8 tm0? -57.88 -36.62 72.65 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.589 179.536 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 19.4 m -78.37 -25.47 46.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.905 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -81.4 -40.6 23.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.629 -179.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.422 HD11 ' CE2' ' A' ' 144' ' ' PHE . 1.9 mt -114.35 0.29 14.07 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -178.247 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 85.97 -123.4 6.4 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.482 -0.866 . . . . 0.0 112.693 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.03 178.91 4.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.905 0.383 . . . . 0.0 111.023 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -90.37 126.0 35.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.955 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -121.05 93.27 48.84 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_exo -56.28 -28.01 69.58 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.557 2.171 . . . . 0.0 112.29 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -67.72 -31.24 71.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.964 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 65.1 mt -86.17 -17.28 35.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.245 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 23.9 m170 61.83 86.26 0.11 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.842 0.354 . . . . 0.0 110.931 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -124.67 108.52 1.12 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.392 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 12.8 m -150.4 160.46 4.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.897 0.379 . . . . 0.0 111.189 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 66.53 13.01 9.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.498 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -82.58 -9.23 59.49 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.632 0.253 . . . . 0.0 111.236 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . 0.409 ' CG1' ' CD1' ' A' ' 146' ' ' LEU . 6.0 t -70.06 -27.78 33.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.867 0.365 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 31.8 t -63.75 -14.37 51.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.474 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.46 -25.84 17.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.794 0.331 . . . . 0.0 110.723 179.63 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' PHE . . . . . 0.422 ' CE2' HD11 ' A' ' 128' ' ' LEU . 90.0 m-85 -95.2 124.18 39.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.803 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . 0.403 ' O ' ' CG1' ' A' ' 105' ' ' VAL . 0.0 OUTLIER -81.34 91.87 6.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.178 -179.829 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . 0.409 ' CD1' ' CG1' ' A' ' 141' ' ' VAL . 2.2 mt -89.43 -23.41 22.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.057 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -164.24 160.56 16.38 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.111 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.33 -49.5 1.84 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.565 2.177 . . . . 0.0 112.263 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -105.35 69.1 0.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.789 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -67.47 117.16 9.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.006 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 3.3 p -104.21 149.2 25.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.691 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -44.88 -41.68 7.34 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.879 0.371 . . . . 0.0 110.427 179.575 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -60.55 -41.17 94.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.343 179.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.419 ' HA ' ' CZ ' ' A' ' 113' ' ' PHE . 52.7 tp -69.22 -47.72 64.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.019 179.232 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -56.38 -52.57 64.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.731 179.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -53.44 -52.48 59.3 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 2.4 tptt -57.17 -29.31 63.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.969 -179.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 49.1 t -67.02 -49.76 70.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.899 0.381 . . . . 0.0 110.434 179.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 11.3 mtt -68.34 -42.88 78.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.75 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -59.21 -51.28 70.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.774 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . 0.41 ' O ' ' CD2' ' A' ' 165' ' ' TYR . 22.3 mt -59.83 -38.13 81.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.776 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . 0.428 ' CE1' ' HA ' ' A' ' 125' ' ' GLN . 3.2 t-160 -58.64 -56.63 19.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.82 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 12.6 tttp -65.13 -30.83 71.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 6.3 p -60.82 -23.71 65.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.18 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 165' ' ' TYR . . . . . 0.41 ' CD2' ' O ' ' A' ' 161' ' ' LEU . 18.8 m-85 -93.32 138.39 31.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.776 0.322 . . . . 0.0 110.938 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 10.6 ptt180 -158.98 142.41 14.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.825 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 76.74 35.74 0.38 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.782 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 11.8 ttp -121.49 152.4 39.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.696 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 27.2 p -101.63 163.03 18.63 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.978 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -57.96 -50.4 10.3 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.603 2.202 . . . . 0.0 111.999 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -49.8 -42.42 46.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.424 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.86 -42.86 85.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.668 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -68.78 -42.37 77.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.746 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.37 -42.68 96.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.233 0.54 . . . . 0.0 110.722 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 12.4 tp -72.67 -27.41 62.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.814 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 176' ' ' GLU . . . . . 0.505 ' HG3' ' N ' ' A' ' 177' ' ' PHE . 0.0 OUTLIER -70.14 -51.05 34.45 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -178.575 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 177' ' ' PHE . . . . . 0.505 ' N ' ' HG3' ' A' ' 176' ' ' GLU . 7.2 t80 -72.09 -40.4 68.25 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.459 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 178' ' ' LEU . . . . . 0.407 ' O ' ' HB2' ' A' ' 182' ' ' LYS . 35.7 mt -61.23 -41.14 96.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.307 179.503 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.05 -32.31 70.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.757 179.444 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -70.88 -49.92 40.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.922 179.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -61.72 -37.59 84.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.749 179.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 178' ' ' LEU . 0.0 OUTLIER -66.33 -35.89 81.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.37 179.529 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 10.0 ttmt -70.35 -19.16 63.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.045 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -106.66 9.47 31.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.822 -179.437 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 1.5 m 56.39 52.25 10.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.817 0.341 . . . . 0.0 111.263 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 61.4 mtp -99.65 27.32 5.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.782 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 187' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.281 -0.866 . . . . 0.0 110.868 -179.821 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.416 ' HA ' HG22 ' A' ' 92' ' ' THR . 1.3 mt-10 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.869 0.366 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -72.55 -47.83 45.08 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 49.9 mm -59.03 -46.39 91.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.022 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.454 HG23 ' N ' ' A' ' 93' ' ' ARG . 8.3 t -64.52 -50.83 65.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.745 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.699 ' CG ' HD11 ' A' ' 178' ' ' LEU . 0.6 OUTLIER -54.5 -51.19 65.88 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.544 0.211 . . . . 0.0 111.344 -179.077 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -53.56 -55.24 27.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.845 0.355 . . . . 0.0 111.048 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.518 ' HA ' HD12 ' A' ' 98' ' ' LEU . 3.7 m-85 -59.63 -43.25 93.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.484 HD21 ' CE2' ' A' ' 187' ' ' TYR . 5.2 tp -51.63 -55.57 18.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.293 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 2.2 t -57.94 -41.23 82.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.923 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.518 HD12 ' HA ' ' A' ' 95' ' ' TYR . 34.7 mt -60.98 -48.89 79.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.012 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -66.72 -48.7 68.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.4 mt -57.43 -52.04 67.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.05 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.799 ' HA ' HD12 ' A' ' 104' ' ' ILE . 19.5 ttp-105 -63.25 -28.84 70.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.029 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -71.19 -39.35 71.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.851 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -69.38 -35.57 75.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.799 HD12 ' HA ' ' A' ' 101' ' ' ARG . 10.5 mt -67.73 -52.97 34.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.346 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 31.6 m -57.89 -32.37 43.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.643 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -85.91 -3.33 58.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.648 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 67.27 34.36 85.38 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.327 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -82.23 0.95 38.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.574 0.226 . . . . 0.0 111.417 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.467 HD23 ' N ' ' A' ' 110' ' ' PRO . 4.9 tt -151.31 132.72 7.78 Favored Pre-proline 0 C--N 1.331 -0.207 0 CA-C-O 120.557 0.218 . . . . 0.0 110.714 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.467 ' N ' HD23 ' A' ' 109' ' ' LEU . 44.0 Cg_endo -67.95 121.64 8.68 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.393 2.062 . . . . 0.0 112.244 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 58.8 m -138.63 168.28 20.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.677 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 72.9 m -102.74 163.36 12.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.07 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.403 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 18.2 t80 -55.92 -46.99 78.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.957 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.05 -48.25 76.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.686 -178.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.553 HG22 ' CD1' ' A' ' 119' ' ' LEU . 74.9 m -65.35 -39.98 93.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.842 0.353 . . . . 0.0 110.578 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 116' ' ' LEU . 14.6 mt -57.79 -47.16 83.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.048 0.452 . . . . 0.0 110.124 179.433 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.83 -35.1 72.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.657 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 7.7 tt -69.73 -52.28 26.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.795 0.331 . . . . 0.0 111.086 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.553 ' CD1' HG22 ' A' ' 115' ' ' THR . 43.7 mt -62.02 -34.95 77.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.042 0.448 . . . . 0.0 110.415 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.421 ' O ' HG12 ' A' ' 124' ' ' ILE . . . -71.17 -50.65 21.43 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.666 -0.778 . . . . 0.0 111.929 179.275 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 35.0 m -53.56 -34.61 58.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.655 0.264 . . . . 0.0 111.325 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.4 ' CE1' ' HG3' ' A' ' 176' ' ' GLU . 14.6 m-85 -73.8 -46.53 44.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.807 0.337 . . . . 0.0 110.834 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' THR . . . . . 0.5 HG21 ' HD3' ' A' ' 101' ' ' ARG . 83.3 m -61.28 -39.8 91.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.679 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.651 ' O ' HD12 ' A' ' 128' ' ' LEU . 29.3 mm -63.55 -50.84 76.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.694 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' GLN . . . . . 0.409 ' O ' ' CA ' ' A' ' 129' ' ' GLY . 0.0 OUTLIER -59.19 -35.23 73.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 12.8 t -78.83 -25.31 44.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.05 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.91 -41.96 22.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.056 -179.326 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.658 HD11 ' CE2' ' A' ' 144' ' ' PHE . 1.2 mp -110.01 -0.23 18.19 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.218 -178.416 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.409 ' CA ' ' O ' ' A' ' 125' ' ' GLN . . . . . . . . 0 N--CA 1.448 -0.515 0 C-N-CA 120.515 -0.85 . . . . 0.0 112.384 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.944 ' CG1' HD11 ' A' ' 146' ' ' LEU . 21.0 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.831 0.348 . . . . 0.0 111.288 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.4 m -63.01 -14.28 45.9 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.649 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -83.92 -22.33 31.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.692 0.282 . . . . 0.0 111.183 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' PHE . . . . . 0.658 ' CE2' HD11 ' A' ' 128' ' ' LEU . 78.1 m-85 -114.12 119.77 38.26 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.949 0.405 . . . . 0.0 111.206 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 12.2 mtmt -75.52 102.42 5.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.104 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.944 HD11 ' CG1' ' A' ' 141' ' ' VAL . 0.6 OUTLIER -88.1 -19.26 27.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.297 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.712 ' HB1' ' HD2' ' A' ' 148' ' ' PRO . . . -175.17 165.78 2.07 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-O 120.766 0.317 . . . . 0.0 111.115 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 148' ' ' PRO . . . . . 0.712 ' HD2' ' HB1' ' A' ' 147' ' ' ALA . 58.7 Cg_endo -71.62 -42.36 1.82 Allowed 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.562 2.174 . . . . 0.0 112.324 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -106.57 70.86 0.84 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.807 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 150' ' ' GLN . . . . . 0.629 ' OE1' HD12 ' A' ' 146' ' ' LEU . 18.0 tt0 -80.8 120.92 25.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.033 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 2.9 p -120.0 167.95 11.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.845 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -48.17 -35.74 12.25 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.606 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 153' ' ' GLU . . . . . 0.403 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 0.3 OUTLIER -62.69 -58.72 6.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.657 179.85 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.932 ' O ' HG23 ' A' ' 158' ' ' VAL . 51.9 tp -59.41 -43.33 93.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.404 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -59.14 -54.03 51.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.57 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -52.97 -51.19 62.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.94 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 16.6 tptt -57.75 -31.24 66.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.15 -179.423 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.932 HG23 ' O ' ' A' ' 154' ' ' LEU . 63.1 t -67.01 -52.84 39.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.863 0.363 . . . . 0.0 110.927 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 7.7 mtt -68.33 -39.75 81.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.17 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.93 -55.12 38.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.064 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 10.0 mt -59.47 -38.91 82.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.987 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -55.76 -54.87 39.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.979 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 11.4 mtpp -74.47 -26.28 59.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.948 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 36.6 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.284 -179.808 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 169' ' ' THR . . . . . 0.427 ' HB ' ' HD2' ' A' ' 170' ' ' PRO . 23.7 p . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.668 0.27 . . . . 0.0 110.739 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 170' ' ' PRO . . . . . 0.427 ' HD2' ' HB ' ' A' ' 169' ' ' THR . 10.0 Cg_endo -53.28 -52.95 7.53 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.646 2.23 . . . . 0.0 111.944 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -50.97 -38.55 51.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.291 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.91 -44.72 86.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.581 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -65.91 -46.06 79.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.656 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -57.31 -42.62 82.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.178 0.513 . . . . 0.0 110.6 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 14.1 tp -72.39 -30.84 65.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.128 179.444 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 176' ' ' GLU . . . . . 0.4 ' HG3' ' CE1' ' A' ' 122' ' ' TYR . 8.0 mm-40 -61.27 -52.81 63.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.879 -179.158 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -71.6 -44.4 64.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.606 0.241 . . . . 0.0 110.828 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 178' ' ' LEU . . . . . 0.699 HD11 ' CG ' ' A' ' 93' ' ' ARG . 40.0 mt -61.01 -42.78 99.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.894 0.378 . . . . 0.0 110.573 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -68.04 -32.22 72.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.766 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.55 -49.52 32.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.24 179.478 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -61.69 -37.87 85.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.888 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 2.3 mtpm? -71.64 -32.4 67.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.766 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 14.9 mtmt -74.95 -21.35 59.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.052 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.409 HD23 ' N ' ' A' ' 184' ' ' LEU . 1.8 mt -95.91 -13.0 24.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.353 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 14.0 m 66.54 44.72 2.24 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.912 0.386 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 35.5 mtp -68.9 -32.46 72.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 187' ' ' TYR . . . . . 0.484 ' CE2' HD21 ' A' ' 96' ' ' LEU . 5.0 p90 . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.41 ' O ' ' HB2' ' A' ' 93' ' ' ARG . 11.0 mt-10 . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.904 0.383 . . . . 0.0 110.712 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -71.96 -47.68 50.47 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.892 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 47.2 mm -60.76 -46.38 96.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.324 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.456 HG23 ' N ' ' A' ' 93' ' ' ARG . 9.3 t -62.61 -50.26 71.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.243 -179.515 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.769 ' CG ' HD11 ' A' ' 178' ' ' LEU . 0.0 OUTLIER -54.39 -50.95 66.34 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.612 0.244 . . . . 0.0 111.566 -178.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -54.59 -52.41 62.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.939 0.4 . . . . 0.0 111.023 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -66.11 -28.39 68.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.284 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.434 HD21 ' CE2' ' A' ' 187' ' ' TYR . 6.0 tp -68.95 -55.26 11.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.892 0.377 . . . . 0.0 110.848 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 57.1 m -55.46 -44.38 76.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.868 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 78.7 mt -57.27 -49.91 74.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.015 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -63.05 -46.37 87.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.113 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.562 HD11 ' CD1' ' A' ' 187' ' ' TYR . 3.4 mt -60.58 -46.2 91.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.973 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.568 ' O ' HG13 ' A' ' 105' ' ' VAL . 0.0 OUTLIER -64.78 -28.29 69.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.205 -179.919 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.31 -41.33 70.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.159 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.91 -41.41 71.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.301 -179.607 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.435 HD12 ' HA ' ' A' ' 101' ' ' ARG . 12.0 mt -63.25 -49.97 80.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.391 -179.689 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.568 HG13 ' O ' ' A' ' 101' ' ' ARG . 34.0 m -60.6 -32.49 51.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.582 -179.693 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -80.91 -1.75 44.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.587 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 69.12 33.06 73.3 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.29 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 36.1 mtp85 -83.5 2.38 37.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.497 0.189 . . . . 0.0 111.447 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.643 HD23 ' HD2' ' A' ' 110' ' ' PRO . 0.3 OUTLIER -155.73 134.88 7.76 Favored Pre-proline 0 C--N 1.332 -0.194 0 CA-C-O 120.517 0.199 . . . . 0.0 110.637 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.643 ' HD2' HD23 ' A' ' 109' ' ' LEU . 56.0 Cg_endo -70.28 125.97 12.46 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.39 2.06 . . . . 0.0 112.406 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 13.4 m -139.49 168.27 20.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.698 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 21.0 t -102.37 162.26 13.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.1 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -56.76 -46.95 81.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.996 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.26 -48.58 76.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.647 -178.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.632 HG22 ' CD1' ' A' ' 119' ' ' LEU . 88.1 m -64.97 -40.22 94.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.806 0.336 . . . . 0.0 110.518 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 116' ' ' LEU . 28.1 mt -57.9 -46.81 84.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.121 179.472 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.5 -35.05 73.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.363 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 6.9 tt -68.15 -51.99 39.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.821 0.343 . . . . 0.0 110.934 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.632 ' CD1' HG22 ' A' ' 115' ' ' THR . 16.8 mt -61.57 -35.0 76.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.094 0.473 . . . . 0.0 110.467 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.422 ' CA ' HD22 ' A' ' 146' ' ' LEU . . . -71.26 -51.67 16.6 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.151 179.401 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 50.2 m -53.72 -35.34 61.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.645 0.26 . . . . 0.0 111.509 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.427 ' CE2' ' HB3' ' A' ' 176' ' ' GLU . 14.6 m-85 -73.85 -44.61 55.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.754 0.311 . . . . 0.0 110.874 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 90.0 m -59.63 -42.76 93.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.551 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.508 HG23 HD12 ' A' ' 128' ' ' LEU . 19.7 mm -62.55 -47.64 92.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.281 179.31 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -58.52 -37.82 76.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.776 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.65 -26.28 45.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.115 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.24 -41.32 25.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.353 -179.183 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.508 HD12 HG23 ' A' ' 124' ' ' ILE . 1.5 mt -112.22 1.19 16.07 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -178.382 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 0.212 0 C-N-CA 120.414 -0.898 . . . . 0.0 112.748 179.726 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.823 ' CG1' HD11 ' A' ' 146' ' ' LEU . 10.5 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.787 0.327 . . . . 0.0 111.093 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 25.6 t -63.14 -14.22 46.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.517 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.94 -27.26 18.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.856 0.36 . . . . 0.0 110.777 179.651 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -90.59 126.91 36.1 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' LYS . . . . . 0.416 ' O ' HG11 ' A' ' 105' ' ' VAL . 0.1 OUTLIER -82.5 91.87 6.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.049 -179.91 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.823 HD11 ' CG1' ' A' ' 141' ' ' VAL . 1.4 mt -88.28 -21.82 24.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.239 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.67 ' HB1' ' HD2' ' A' ' 148' ' ' PRO . . . -165.28 165.12 11.95 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.044 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 148' ' ' PRO . . . . . 0.67 ' HD2' ' HB1' ' A' ' 147' ' ' ALA . 49.8 Cg_endo -69.14 -46.71 1.36 Allowed 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.454 2.102 . . . . 0.0 112.282 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -107.75 65.89 0.65 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.803 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -65.32 116.6 6.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.97 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 3.0 t -112.46 158.29 20.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.896 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 17.1 mttm -44.75 -42.16 7.48 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.405 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -57.8 -47.08 83.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.73 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.934 ' O ' HG23 ' A' ' 158' ' ' VAL . 42.6 tp -65.82 -42.34 90.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.351 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -59.64 -53.9 52.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.663 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -54.94 -51.31 66.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.025 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.5 -30.97 65.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.171 -179.139 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.934 HG23 ' O ' ' A' ' 154' ' ' LEU . 89.7 t -67.04 -49.88 69.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.881 0.372 . . . . 0.0 110.587 179.406 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 10.0 mtt -68.45 -41.39 80.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.069 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -61.72 -55.2 32.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.099 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 61.4 mt -57.03 -41.55 78.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.974 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -57.57 -56.83 16.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.02 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 8.1 tttm -67.52 -30.17 69.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.05 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 41.6 p . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.318 -179.851 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.719 0.295 . . . . 0.0 110.73 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -56.49 -50.77 10.87 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.439 2.093 . . . . 0.0 111.79 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -55.95 -38.18 69.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.217 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -57.81 -42.94 85.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.603 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -68.7 -45.05 72.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.591 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -57.47 -41.11 79.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.56 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 13.8 tp -72.47 -32.36 66.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.264 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 176' ' ' GLU . . . . . 0.427 ' HB3' ' CE2' ' A' ' 122' ' ' TYR . 8.6 mm-40 -61.16 -54.54 43.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.944 -179.077 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 177' ' ' PHE . . . . . 0.412 ' CD2' HD22 ' A' ' 119' ' ' LEU . 10.3 t80 -70.95 -40.09 72.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.639 0.257 . . . . 0.0 110.665 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 178' ' ' LEU . . . . . 0.769 HD11 ' CG ' ' A' ' 93' ' ' ARG . 21.4 mt -62.82 -42.73 99.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.796 0.332 . . . . 0.0 110.584 179.744 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -67.73 -32.6 73.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.726 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -72.68 -49.5 31.08 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.319 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -62.37 -37.96 87.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.153 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 182' ' ' LYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 178' ' ' LEU . 2.0 ttmm -70.21 -35.14 73.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.861 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 3.8 mtmm -74.11 -20.48 60.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.047 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.8 mt -94.5 -10.19 33.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.314 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 28.9 t 61.85 79.33 0.26 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.81 0.338 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 186' ' ' MET . . . . . 0.556 ' HB2' HD21 ' A' ' 100' ' ' LEU . 24.2 mtp -113.91 -36.26 4.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 187' ' ' TYR . . . . . 0.562 ' CD1' HD11 ' A' ' 100' ' ' LEU . 9.8 p90 . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.549 ' HA ' HG22 ' A' ' 92' ' ' THR . 6.3 tp10 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.009 0.433 . . . . 0.0 110.588 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -71.98 -47.84 49.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.527 179.05 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 40.2 mm -62.98 -47.11 94.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.149 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.549 HG22 ' HA ' ' A' ' 89' ' ' GLU . 11.1 t -62.5 -51.12 68.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 -179.561 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.479 ' N ' HG23 ' A' ' 92' ' ' THR . 14.1 ttp-105 -54.51 -44.52 72.8 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.601 0.239 . . . . 0.0 111.607 -179.011 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -59.0 -53.15 61.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.927 0.394 . . . . 0.0 110.688 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -65.32 -28.31 69.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.12 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.9 tp -68.07 -55.24 13.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.762 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.37 -41.54 76.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.745 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 85.1 mt -60.89 -41.94 97.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.836 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -68.6 -48.05 65.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.96 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.407 HD11 ' CZ ' ' A' ' 187' ' ' TYR . 2.3 mt -61.7 -44.93 95.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.738 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.615 ' O ' HG22 ' A' ' 105' ' ' VAL . 2.6 tmm_? -66.94 -28.61 68.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.141 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -71.32 -39.0 71.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.966 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -70.95 -39.35 72.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.107 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.614 HD12 ' HA ' ' A' ' 101' ' ' ARG . 9.3 mt -65.24 -53.1 44.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.392 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.615 HG22 ' O ' ' A' ' 101' ' ' ARG . 23.6 m -60.52 -32.32 51.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.56 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.02 -3.42 42.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.64 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 68.81 32.88 74.4 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.37 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.7 mtp180 -92.47 4.35 53.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.571 0.224 . . . . 0.0 111.386 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -153.67 113.83 2.6 Favored Pre-proline 0 C--N 1.332 -0.174 0 CA-C-O 120.565 0.222 . . . . 0.0 110.712 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -53.16 130.17 36.89 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.484 2.123 . . . . 0.0 112.425 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 39.2 m -143.32 168.25 20.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.727 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.53 164.62 11.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.071 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -59.32 -49.58 77.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.878 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.12 -46.05 79.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.579 -179.098 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.623 HG22 ' CD1' ' A' ' 119' ' ' LEU . 98.2 m -67.42 -38.98 85.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.88 0.371 . . . . 0.0 110.332 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 22.4 mt -58.98 -46.12 88.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.157 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.472 ' HB1' ' HB3' ' A' ' 157' ' ' LYS . . . -71.8 -34.78 69.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.446 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 8.2 tt -68.64 -51.9 37.09 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.875 0.369 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.623 ' CD1' HG22 ' A' ' 115' ' ' THR . 19.7 mt -62.58 -34.46 77.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.307 179.566 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.424 ' O ' HG12 ' A' ' 124' ' ' ILE . . . -71.51 -52.34 13.18 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.03 179.332 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.469 ' OG ' HD12 ' A' ' 161' ' ' LEU . 49.6 m -53.67 -34.48 58.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.624 0.25 . . . . 0.0 111.425 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.422 ' CE2' ' HB3' ' A' ' 176' ' ' GLU . 17.1 m-85 -73.5 -47.18 43.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.795 0.331 . . . . 0.0 110.86 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 77.0 m -59.96 -39.91 87.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.736 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.592 ' O ' HD12 ' A' ' 128' ' ' LEU . 29.2 mm -63.85 -49.53 81.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.521 179.557 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' GLN . . . . . 0.405 ' HA ' ' CE1' ' A' ' 162' ' ' HIS . 2.1 tp60 -58.43 -37.48 75.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.656 179.709 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 10.7 p -78.84 -25.83 44.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.082 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.3 -38.73 30.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.296 -179.088 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.592 HD12 ' O ' ' A' ' 124' ' ' ILE . 1.3 mp -115.22 0.49 13.55 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.011 -0.54 . . . . 0.0 112.374 -178.089 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.494 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.37 -179.98 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.877 ' CG1' HD11 ' A' ' 146' ' ' LEU . 23.7 t . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.827 0.346 . . . . 0.0 111.082 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 16.8 t -63.12 -14.26 46.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.667 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -87.29 -27.8 22.68 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.766 0.317 . . . . 0.0 110.872 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' PHE . . . . . 0.405 ' CE1' HD11 ' A' ' 128' ' ' LEU . 87.3 m-85 -96.99 122.7 40.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 145' ' ' LYS . . . . . 0.502 ' O ' HG11 ' A' ' 105' ' ' VAL . 8.2 mttt -76.32 96.5 3.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.05 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.997 HD13 HG21 ' A' ' 158' ' ' VAL . 5.7 mt -85.09 -22.48 28.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.193 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.699 ' HB1' ' HD2' ' A' ' 148' ' ' PRO . . . -170.73 165.45 5.08 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.181 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 148' ' ' PRO . . . . . 0.699 ' HD2' ' HB1' ' A' ' 147' ' ' ALA . 48.0 Cg_endo -68.56 -38.39 11.06 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.565 2.177 . . . . 0.0 112.215 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -115.39 65.84 0.69 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.772 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -68.83 119.87 13.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 7.3 t -115.02 161.31 18.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.906 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -45.07 -43.59 9.61 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.298 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -56.49 -47.63 78.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.751 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.933 ' O ' HG23 ' A' ' 158' ' ' VAL . 48.2 tp -66.85 -39.13 87.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.362 179.655 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -60.83 -53.98 50.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.65 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -54.59 -50.93 66.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.064 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.472 ' HB3' ' HB1' ' A' ' 117' ' ' ALA . 12.2 tptt -57.59 -33.11 67.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.37 -179.037 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.997 HG21 HD13 ' A' ' 146' ' ' LEU . 98.8 t -67.05 -51.55 53.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.798 0.332 . . . . 0.0 110.975 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 9.3 mtt -68.25 -42.25 79.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.267 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -62.38 -49.05 77.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.107 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.469 HD12 ' OG ' ' A' ' 121' ' ' SER . 63.9 mt -61.41 -42.19 98.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.012 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 162' ' ' HIS . . . . . 0.405 ' CE1' ' HA ' ' A' ' 125' ' ' GLN . 8.0 t-160 -57.61 -56.71 18.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.063 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -69.13 -29.59 67.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.006 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 41.7 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.207 -179.815 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.711 0.291 . . . . 0.0 110.758 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -55.31 -51.62 9.63 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.508 2.139 . . . . 0.0 111.718 179.684 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -53.66 -40.29 65.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.307 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -57.84 -45.62 85.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.621 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -65.32 -44.08 88.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.503 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -58.13 -40.47 81.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.48 179.468 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 175' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 175' ' ' LEU . 9.2 tp -72.47 -33.34 66.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.381 179.52 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 176' ' ' GLU . . . . . 0.422 ' HB3' ' CE2' ' A' ' 122' ' ' TYR . 8.6 mm-40 -61.07 -54.58 42.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 112.019 -179.011 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -70.44 -44.3 68.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.648 0.261 . . . . 0.0 110.784 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 178' ' ' LEU . . . . . 0.424 HD11 ' HG3' ' A' ' 93' ' ' ARG . 36.8 mt -60.46 -41.38 94.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.893 0.378 . . . . 0.0 110.567 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -68.17 -32.56 72.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.698 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -73.31 -49.61 26.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.458 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -61.09 -37.72 83.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.047 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 182' ' ' LYS . . . . . 0.437 ' HG3' ' CE1' ' A' ' 187' ' ' TYR . 26.7 mttt -74.04 -31.04 62.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.038 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 8.1 ttpt -77.47 -22.82 50.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.134 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.5 mt -87.96 -10.2 51.21 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.287 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.2 34.05 11.24 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.815 0.34 . . . . 0.0 110.83 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 19.5 ptm -101.83 27.57 6.38 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 187' ' ' TYR . . . . . 0.437 ' CE1' ' HG3' ' A' ' 182' ' ' LYS . 2.7 m-85 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.553 ' HA ' HG22 ' A' ' 92' ' ' THR . 2.8 mt-10 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.927 0.394 . . . . 0.0 110.662 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -70.49 -47.72 59.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.63 179.153 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 39.5 mm -63.29 -48.6 86.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.235 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.553 HG22 ' HA ' ' A' ' 89' ' ' GLU . 11.6 t -60.48 -50.89 71.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.205 -179.503 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.7 ' HG3' HD11 ' A' ' 178' ' ' LEU . 37.3 ttp180 -54.71 -46.31 74.17 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.646 0.26 . . . . 0.0 111.624 -179.06 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -56.98 -52.33 65.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.934 0.397 . . . . 0.0 110.901 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -67.21 -28.42 68.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.192 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.1 tp -68.08 -55.23 13.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.817 0.342 . . . . 0.0 110.791 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 4.9 t -58.12 -41.34 83.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.841 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 98' ' ' LEU . 19.7 mt -58.81 -46.38 87.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -66.31 -43.21 86.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.944 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.442 HD11 ' CE1' ' A' ' 187' ' ' TYR . 7.3 mt -64.1 -42.53 96.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.793 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.519 ' HA ' HD12 ' A' ' 104' ' ' ILE . 0.0 OUTLIER -68.14 -28.52 67.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.095 179.908 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -71.39 -40.27 70.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.95 0.405 . . . . 0.0 110.851 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -71.05 -37.12 72.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.306 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.519 HD12 ' HA ' ' A' ' 101' ' ' ARG . 10.7 mt -68.14 -52.54 37.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.461 -179.615 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.505 HG22 ' O ' ' A' ' 101' ' ' ARG . 31.2 m -60.02 -32.07 49.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.488 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -79.01 -2.97 42.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.54 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 71.26 25.71 74.96 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.506 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 2.2 tpt85 -83.81 1.6 42.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.548 0.213 . . . . 0.0 111.393 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.407 HD22 ' SD ' ' A' ' 186' ' ' MET . 0.7 OUTLIER -151.74 132.91 7.75 Favored Pre-proline 0 C--N 1.332 -0.171 0 CA-C-O 120.563 0.22 . . . . 0.0 110.675 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.43 127.9 13.86 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.426 2.084 . . . . 0.0 112.379 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 12.8 m -140.17 168.36 19.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.707 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.5 p -102.08 165.45 11.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.092 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.449 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 18.1 t80 -59.84 -51.57 69.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.844 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.27 -45.17 80.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.573 -179.046 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.593 HG22 HD11 ' A' ' 119' ' ' LEU . 88.7 m -67.21 -39.81 86.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.831 0.348 . . . . 0.0 110.379 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 116' ' ' LEU . 17.1 mt -58.35 -47.65 83.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.102 179.403 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.69 -35.17 74.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.371 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.422 ' HG ' ' CE2' ' A' ' 122' ' ' TYR . 7.3 tt -67.49 -51.89 45.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.827 0.346 . . . . 0.0 110.782 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.593 HD11 HG22 ' A' ' 115' ' ' THR . 15.4 mt -61.19 -33.83 74.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.307 179.531 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.429 ' O ' HG12 ' A' ' 124' ' ' ILE . . . -71.32 -51.9 15.45 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.125 179.356 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 19.7 p -53.54 -35.23 60.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.573 0.225 . . . . 0.0 111.499 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.44 ' CE2' ' HB3' ' A' ' 176' ' ' GLU . 19.1 m-85 -74.19 -43.13 58.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.721 0.296 . . . . 0.0 110.676 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 64.6 m -63.28 -40.14 96.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.501 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.569 HG23 ' CD1' ' A' ' 128' ' ' LEU . 27.2 mm -62.95 -49.73 82.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.386 179.492 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -57.93 -36.82 73.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.826 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.59 -23.42 46.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.07 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -82.28 -43.94 16.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.151 -179.305 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.569 ' CD1' HG23 ' A' ' 124' ' ' ILE . 1.4 mp -110.38 1.22 18.28 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.359 -178.166 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.248 0 C-N-CA 120.438 -0.887 . . . . 0.0 112.766 179.765 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.972 HG12 HD11 ' A' ' 146' ' ' LEU . 13.9 t . . . . . 0 CA--C 1.528 0.13 0 CA-C-O 120.841 0.353 . . . . 0.0 110.969 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 21.6 p -64.86 -14.08 58.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.551 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.85 -27.88 28.4 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.813 0.34 . . . . 0.0 110.866 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -96.57 130.53 43.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.956 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' LYS . . . . . 0.501 ' O ' HG11 ' A' ' 105' ' ' VAL . 3.5 mtmp? -77.25 93.24 3.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.984 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.972 HD11 HG12 ' A' ' 141' ' ' VAL . 0.8 OUTLIER -82.59 -24.11 34.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.101 -179.904 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.74 ' HB1' ' HD2' ' A' ' 148' ' ' PRO . . . -174.4 166.55 2.34 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.06 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 148' ' ' PRO . . . . . 0.74 ' HD2' ' HB1' ' A' ' 147' ' ' ALA . 50.4 Cg_endo -69.0 -40.06 7.06 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.515 2.143 . . . . 0.0 112.312 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -112.93 66.94 0.65 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 150' ' ' GLN . . . . . 0.817 ' NE2' HD12 ' A' ' 146' ' ' LEU . 13.7 tt0 -72.91 120.13 18.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.943 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 1.2 t -115.64 160.96 19.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.01 -43.52 9.27 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.265 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 153' ' ' GLU . . . . . 0.449 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 2.4 mt-10 -56.73 -50.63 71.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.762 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.927 ' O ' HG23 ' A' ' 158' ' ' VAL . 54.9 tp -64.46 -39.56 94.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.475 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -60.46 -54.09 49.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.682 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -55.01 -49.57 71.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.55 -33.06 67.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.2 -179.313 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.927 HG23 ' O ' ' A' ' 154' ' ' LEU . 84.9 t -67.05 -48.88 77.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.873 0.368 . . . . 0.0 110.717 179.549 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 10.2 mtt -68.46 -40.05 81.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.06 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.56 -52.09 67.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 12.0 mt -63.15 -36.23 82.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.721 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 14.0 t-160 -61.39 -56.56 18.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.706 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 4.8 tttp -67.12 -29.38 69.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.682 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.133 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 169' ' ' THR . . . . . 0.404 ' HB ' ' HD2' ' A' ' 170' ' ' PRO . 5.9 p . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.62 0.248 . . . . 0.0 110.624 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 170' ' ' PRO . . . . . 0.404 ' HD2' ' HB ' ' A' ' 169' ' ' THR . 9.2 Cg_endo -52.5 -53.46 6.84 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.392 2.062 . . . . 0.0 111.695 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -53.12 -39.8 63.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.437 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -57.77 -43.68 85.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.652 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -66.37 -43.03 87.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.53 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.05 -42.25 94.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.512 179.478 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 12.6 tp -72.48 -32.28 66.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.033 179.325 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 176' ' ' GLU . . . . . 0.44 ' HB3' ' CE2' ' A' ' 122' ' ' TYR . 7.5 mm-40 -60.44 -54.39 46.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.785 -179.176 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 177' ' ' PHE . . . . . 0.467 ' CD2' HD22 ' A' ' 119' ' ' LEU . 16.6 t80 -68.62 -46.56 68.91 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 121.126 -0.23 . . . . 0.0 110.711 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 178' ' ' LEU . . . . . 0.7 HD11 ' HG3' ' A' ' 93' ' ' ARG . 19.6 mt -59.27 -38.8 81.02 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.9 0.381 . . . . 0.0 110.438 179.745 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -67.7 -34.42 76.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.844 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -73.75 -49.52 25.1 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.504 179.558 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -61.42 -38.07 85.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.641 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 17.2 mtmt -69.6 -35.38 75.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.784 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 4.6 ttmm -77.51 -22.3 51.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.08 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.5 mt -92.36 -3.93 54.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.396 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 2.1 m 62.16 42.87 9.17 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.856 0.36 . . . . 0.0 110.934 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 186' ' ' MET . . . . . 0.407 ' SD ' HD22 ' A' ' 109' ' ' LEU . 33.4 mmm -75.7 -14.32 60.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.179 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 187' ' ' TYR . . . . . 0.442 ' CE1' HD11 ' A' ' 100' ' ' LEU . 8.9 m-85 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.876 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.515 ' HA ' HG22 ' A' ' 92' ' ' THR . 13.3 tt0 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.796 0.332 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -71.42 -48.58 48.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.349 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 15.6 mt -67.64 -46.35 83.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.266 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.515 HG22 ' HA ' ' A' ' 89' ' ' GLU . 12.0 t -56.09 -52.49 64.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.546 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.486 ' N ' HG23 ' A' ' 92' ' ' THR . 2.9 tmt_? -55.0 -46.47 75.18 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 120.689 0.28 . . . . 0.0 110.804 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -53.17 -56.68 14.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.984 0.421 . . . . 0.0 110.593 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -63.81 -28.26 69.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.825 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 96' ' ' LEU . 6.1 tp -66.25 -55.3 16.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.925 0.393 . . . . 0.0 110.547 179.649 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.3 t -55.75 -40.36 72.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.636 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 70.8 mt -59.53 -43.72 93.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.734 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -67.58 -47.53 69.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.9 mt -60.26 -45.78 92.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.698 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.647 ' O ' HG22 ' A' ' 105' ' ' VAL . 52.2 ttp180 -66.29 -28.73 68.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.091 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -71.22 -40.9 70.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.018 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.83 -42.32 70.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.108 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.473 HD12 ' HA ' ' A' ' 101' ' ' ARG . 9.3 mt -62.46 -53.35 48.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.339 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.647 HG22 ' O ' ' A' ' 101' ' ' ARG . 29.3 m -59.43 -32.41 48.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.427 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -79.78 -2.58 43.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.545 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 68.2 34.9 81.92 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.353 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.63 4.04 52.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.552 0.215 . . . . 0.0 111.385 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.565 HD13 ' HB2' ' A' ' 186' ' ' MET . 0.6 OUTLIER -158.1 115.33 1.79 Allowed Pre-proline 0 C--N 1.332 -0.193 0 CA-C-N 116.709 -0.223 . . . . 0.0 110.661 179.892 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -50.43 125.58 15.66 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.435 2.09 . . . . 0.0 112.53 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -139.74 136.86 34.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.717 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.59 160.12 33.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.047 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -57.34 -48.4 79.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.857 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.28 -40.82 74.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.62 -179.163 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 74.0 m -71.35 -39.27 71.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.825 0.345 . . . . 0.0 110.374 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 21.1 mt -59.58 -46.72 88.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.174 179.545 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -71.88 -35.26 69.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.412 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 7.3 tt -67.36 -51.72 48.8 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.895 0.378 . . . . 0.0 110.73 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.735 HD22 ' CD2' ' A' ' 177' ' ' PHE . 67.4 mt -62.96 -34.35 77.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.357 179.645 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.426 ' O ' HG12 ' A' ' 124' ' ' ILE . . . -71.33 -52.47 13.09 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.075 179.387 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 36.2 t -54.17 -34.11 59.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.688 0.28 . . . . 0.0 111.231 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -71.71 -46.9 57.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.766 0.317 . . . . 0.0 110.616 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 11.3 m -59.79 -37.9 80.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.637 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.581 HG23 ' CD1' ' A' ' 128' ' ' LEU . 29.4 mm -63.23 -49.83 81.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.346 179.479 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' GLN . . . . . 0.431 ' HA ' ' CE1' ' A' ' 162' ' ' HIS . 4.7 tp60 -57.01 -38.35 72.98 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.718 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 41.3 t -78.77 -23.63 45.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.264 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.69 -43.05 19.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.979 0.419 . . . . 0.0 111.183 -179.147 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.581 ' CD1' HG23 ' A' ' 124' ' ' ILE . 1.3 mp -111.49 1.01 16.7 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.293 -178.2 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.244 0 C-N-CA 120.376 -0.916 . . . . 0.0 112.554 179.768 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.904 ' CG1' HD11 ' A' ' 146' ' ' LEU . 12.1 t . . . . . 0 CA--C 1.528 0.114 0 CA-C-O 120.853 0.358 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 20.2 p -62.44 -14.11 37.19 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.652 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.29 -26.65 19.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.771 0.32 . . . . 0.0 110.926 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 144' ' ' PHE . . . . . 0.497 ' CZ ' HD11 ' A' ' 128' ' ' LEU . 82.9 m-85 -94.14 123.53 37.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.018 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 145' ' ' LYS . . . . . 0.452 ' O ' HG11 ' A' ' 105' ' ' VAL . 0.0 OUTLIER -78.36 93.0 4.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.072 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.904 HD11 ' CG1' ' A' ' 141' ' ' VAL . 6.9 mt -86.67 -24.11 25.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.156 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.699 ' HB1' ' HD2' ' A' ' 148' ' ' PRO . . . -169.23 165.36 6.62 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.147 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 148' ' ' PRO . . . . . 0.699 ' HD2' ' HB1' ' A' ' 147' ' ' ALA . 59.2 Cg_endo -72.02 -30.55 13.5 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.583 2.189 . . . . 0.0 112.351 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -121.95 63.91 0.92 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 150' ' ' GLN . . . . . 0.467 ' NE2' HD12 ' A' ' 146' ' ' LEU . 13.6 tt0 -69.45 117.92 11.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 7.6 t -113.36 163.59 14.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.18 -43.68 10.26 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.317 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -54.27 48.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.846 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.937 ' O ' HG23 ' A' ' 158' ' ' VAL . 42.6 tp -61.55 -40.73 95.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.524 179.745 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.65 -53.93 52.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.737 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -55.66 -49.21 73.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.073 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.52 -34.13 68.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.514 -178.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.937 HG23 ' O ' ' A' ' 154' ' ' LEU . 49.8 t -67.01 -51.03 58.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.882 0.372 . . . . 0.0 111.062 179.755 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 14.2 mtm -67.62 -43.05 81.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.092 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -59.71 -53.4 58.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 30.4 mt -56.76 -40.14 75.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.812 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 162' ' ' HIS . . . . . 0.431 ' CE1' ' HA ' ' A' ' 125' ' ' GLN . 3.4 t-160 -56.55 -56.1 25.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.927 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 2.8 mtpm? -69.02 -29.14 67.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.035 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 3.6 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.25 -179.788 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 16.6 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.687 0.28 . . . . 0.0 110.666 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.71 -52.54 8.27 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.408 2.072 . . . . 0.0 111.782 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -51.77 -39.66 58.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.343 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.81 -43.02 85.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.702 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -68.67 -46.93 67.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.82 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -57.33 -42.6 82.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.704 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 175' ' ' LEU . . . . . 0.441 ' HG ' ' HG3' ' A' ' 179' ' ' GLU . 13.3 tp -72.33 -28.12 62.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.238 179.603 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -64.67 -54.16 36.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.888 -179.211 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 177' ' ' PHE . . . . . 0.735 ' CD2' HD22 ' A' ' 119' ' ' LEU . 14.2 t80 -70.57 -43.06 70.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.616 -0.265 . . . . 0.0 110.9 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 178' ' ' LEU . . . . . 0.428 HD11 ' HG3' ' A' ' 93' ' ' ARG . 24.3 mt -59.88 -42.19 93.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.85 0.357 . . . . 0.0 110.611 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 179' ' ' GLU . . . . . 0.441 ' HG3' ' HG ' ' A' ' 175' ' ' LEU . 3.4 mm-40 -68.51 -32.7 72.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.648 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 180' ' ' ASN . . . . . 0.795 ' O ' HD12 ' A' ' 184' ' ' LEU . 0.8 OUTLIER -72.34 -49.77 31.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.49 179.552 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -62.36 -37.92 87.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.026 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -69.34 -35.01 75.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.712 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.52 -18.23 63.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 179.536 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.795 HD12 ' O ' ' A' ' 180' ' ' ASN . 1.3 mp -104.93 -17.24 14.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.591 -179.529 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.76 38.84 6.59 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.85 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 186' ' ' MET . . . . . 0.565 ' HB2' HD13 ' A' ' 109' ' ' LEU . 13.0 ptm -94.57 17.7 12.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.25 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 187' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.884 179.952 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.484 ' HA ' HG22 ' A' ' 92' ' ' THR . 1.4 tt0 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.917 0.389 . . . . 0.0 110.664 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.54 -47.85 30.4 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.001 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 46.5 mm -61.29 -47.44 93.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.898 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.484 HG22 ' HA ' ' A' ' 89' ' ' GLU . 8.4 t -61.86 -50.4 72.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.736 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.585 ' HG3' HD11 ' A' ' 178' ' ' LEU . 22.0 ttm180 -54.84 -51.11 66.9 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.372 -179.45 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -51.89 -53.29 42.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.842 0.353 . . . . 0.0 110.982 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -63.16 -41.24 99.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.747 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.694 HD21 ' CE2' ' A' ' 187' ' ' TYR . 5.5 tp -56.56 -55.42 34.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.101 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.2 m -55.87 -42.62 76.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.994 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 82.5 mt -59.72 -37.85 80.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.958 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -72.2 -40.97 67.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.019 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.761 HD21 ' HB2' ' A' ' 186' ' ' MET . 6.5 mt -70.18 -39.52 75.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.263 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.47 -34.8 70.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.696 -179.345 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -71.74 -38.84 70.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.865 0.364 . . . . 0.0 110.872 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -67.5 -41.98 83.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.061 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.434 HD12 ' O ' ' A' ' 100' ' ' LEU . 20.4 mt -63.4 -50.26 79.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.183 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.589 HG11 ' HG3' ' A' ' 145' ' ' LYS . 30.9 m -58.5 -32.51 45.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.494 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -82.23 -2.87 53.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.654 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 68.0 33.63 79.69 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.386 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -83.41 2.29 37.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.53 0.205 . . . . 0.0 111.453 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.677 HD23 ' HD2' ' A' ' 110' ' ' PRO . 0.2 OUTLIER -152.07 134.59 8.8 Favored Pre-proline 0 C--N 1.332 -0.166 0 CA-C-O 120.533 0.206 . . . . 0.0 110.666 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.677 ' HD2' HD23 ' A' ' 109' ' ' LEU . 56.6 Cg_endo -70.79 124.8 10.99 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.478 2.118 . . . . 0.0 112.375 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 76.3 m -139.49 168.25 20.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.701 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.6 m -102.58 166.71 10.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.086 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -58.37 -49.58 76.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.14 -49.9 72.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.629 -178.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.489 HG22 ' CD1' ' A' ' 119' ' ' LEU . 85.7 m -62.83 -44.7 95.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.851 0.357 . . . . 0.0 110.542 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 33.9 mt -53.25 -45.33 68.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.416 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -72.77 -34.31 66.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.657 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 7.5 tt -68.86 -52.14 32.91 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.839 0.352 . . . . 0.0 111.072 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.521 HD22 ' CD1' ' A' ' 177' ' ' PHE . 24.6 mt -64.37 -34.11 77.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.084 0.469 . . . . 0.0 110.371 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.409 ' O ' HG12 ' A' ' 124' ' ' ILE . . . -71.16 -51.79 16.45 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.741 -0.742 . . . . 0.0 111.825 179.338 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.47 ' HA ' HG13 ' A' ' 158' ' ' VAL . 19.2 p -55.2 -33.27 62.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.712 0.292 . . . . 0.0 111.135 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.406 ' CE1' ' OE1' ' A' ' 176' ' ' GLU . 8.6 m-85 -71.62 -47.05 57.17 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.832 0.348 . . . . 0.0 110.67 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 23.3 m -57.86 -40.2 79.57 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.615 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.671 HD11 HD21 ' A' ' 146' ' ' LEU . 32.0 mm -62.52 -48.59 87.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.159 179.346 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' GLN . . . . . 0.419 ' HA ' ' CE1' ' A' ' 162' ' ' HIS . 5.0 tp-100 -56.8 -40.19 75.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.607 179.592 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.75 -24.18 44.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.495 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.37 -41.47 21.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.935 0.398 . . . . 0.0 111.421 -178.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.534 ' CD1' HG23 ' A' ' 124' ' ' ILE . 1.1 mp -114.61 2.14 14.44 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.356 -178.062 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.507 0 C-N-CA 120.397 -0.906 . . . . 0.0 112.443 179.8 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 1.029 HG11 HD11 ' A' ' 146' ' ' LEU . 12.2 t . . . . . 0 CA--C 1.529 0.17 0 CA-C-O 120.645 0.259 . . . . 0.0 111.563 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 17.0 p -61.88 -14.16 31.31 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.652 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.76 -25.99 17.93 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.802 0.334 . . . . 0.0 110.875 179.669 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 144' ' ' PHE . . . . . 0.509 ' CZ ' HD11 ' A' ' 128' ' ' LEU . 50.3 m-85 -93.05 124.67 37.19 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 145' ' ' LYS . . . . . 0.589 ' HG3' HG11 ' A' ' 105' ' ' VAL . 0.0 OUTLIER -81.33 91.57 6.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.16 -179.851 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 1.039 HD13 HG21 ' A' ' 158' ' ' VAL . 4.7 mt -82.54 -22.23 35.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.059 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.72 ' HB1' ' HD2' ' A' ' 148' ' ' PRO . . . -175.85 166.02 1.8 Allowed Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.995 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 148' ' ' PRO . . . . . 0.72 ' HD2' ' HB1' ' A' ' 147' ' ' ALA . 38.0 Cg_endo -66.45 -47.47 3.06 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.515 2.143 . . . . 0.0 112.244 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 -105.58 69.56 0.84 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.811 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -76.13 119.55 20.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.963 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 1.6 t -116.07 163.19 16.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 12.3 pttt -45.52 -42.64 11.04 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.379 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -58.07 -52.4 65.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.798 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.936 ' O ' HG23 ' A' ' 158' ' ' VAL . 57.1 tp -63.21 -38.97 93.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.474 179.717 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -61.48 -54.22 46.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.652 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -55.94 -48.26 76.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.056 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 12.9 tptt -57.7 -36.75 72.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.537 -179.109 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 1.039 HG21 HD13 ' A' ' 146' ' ' LEU . 55.7 t -66.99 -52.4 44.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.789 0.328 . . . . 0.0 111.228 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 60.0 mtm -66.42 -40.49 89.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.197 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -63.76 -47.04 82.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.002 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 55.8 mt -60.34 -41.15 92.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.968 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 162' ' ' HIS . . . . . 0.419 ' CE1' ' HA ' ' A' ' 125' ' ' GLN . 3.3 t-160 -58.86 -56.79 17.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.024 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 11.0 tttt -67.34 -31.61 71.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.081 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 20.5 t . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.294 -179.836 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 169' ' ' THR . . . . . 0.417 ' HB ' ' HD2' ' A' ' 170' ' ' PRO . 1.9 p . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.64 0.257 . . . . 0.0 110.637 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 170' ' ' PRO . . . . . 0.417 ' HD2' ' HB ' ' A' ' 169' ' ' THR . 10.1 Cg_endo -51.24 -52.38 9.18 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.521 2.147 . . . . 0.0 111.845 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -52.26 -40.96 62.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.362 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -57.82 -42.19 83.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.624 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -71.51 -39.84 70.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.58 179.543 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -61.26 -43.29 99.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.456 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 14.4 tp -72.51 -37.29 68.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.568 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 176' ' ' GLU . . . . . 0.406 ' OE1' ' CE1' ' A' ' 122' ' ' TYR . 31.2 mt-10 -59.91 -53.84 53.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 0.0 112.174 -178.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 177' ' ' PHE . . . . . 0.521 ' CD1' HD22 ' A' ' 119' ' ' LEU . 59.7 t80 -69.21 -46.74 66.68 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.976 -0.29 . . . . 0.0 110.581 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 178' ' ' LEU . . . . . 0.585 HD11 ' HG3' ' A' ' 93' ' ' ARG . 27.9 mt -58.14 -38.71 77.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.027 0.441 . . . . 0.0 110.27 179.523 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -68.76 -33.01 73.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.769 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 180' ' ' ASN . . . . . 0.805 ' O ' HD12 ' A' ' 184' ' ' LEU . 0.7 OUTLIER -73.66 -49.72 24.53 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.431 179.512 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -62.99 -38.14 89.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.663 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 6.0 tttt -66.09 -39.11 89.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.637 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -16.99 63.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.011 179.662 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.805 HD12 ' O ' ' A' ' 180' ' ' ASN . 1.1 mp -109.07 -12.05 14.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.67 -179.46 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 1.3 t 65.25 74.21 0.39 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.912 0.387 . . . . 0.0 110.974 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 186' ' ' MET . . . . . 0.761 ' HB2' HD21 ' A' ' 100' ' ' LEU . 31.7 mtp -102.48 -27.23 12.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.841 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 187' ' ' TYR . . . . . 0.694 ' CE2' HD21 ' A' ' 96' ' ' LEU . 2.5 p90 . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.448 ' HA ' HG22 ' A' ' 92' ' ' THR . 13.7 mt-10 . . . . . 0 N--CA 1.46 0.071 0 CA-C-O 120.995 0.426 . . . . 0.0 110.724 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.6 -47.5 47.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.768 179.22 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 40.7 mm -62.36 -49.31 84.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.196 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.476 HG23 ' N ' ' A' ' 93' ' ' ARG . 12.4 t -57.87 -50.99 71.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.278 -179.466 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.728 ' CG ' HD11 ' A' ' 178' ' ' LEU . 0.1 OUTLIER -54.47 -47.81 72.52 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.559 0.219 . . . . 0.0 111.498 -179.005 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -55.24 -53.38 56.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.9 0.381 . . . . 0.0 110.715 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -65.65 -28.22 68.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.023 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.657 HD21 ' CE2' ' A' ' 187' ' ' TYR . 6.0 tp -68.91 -55.3 11.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.655 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -56.74 -37.45 71.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.709 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 41.9 mt -61.44 -49.58 76.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.749 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -64.91 -48.58 73.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.61 -46.37 89.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.764 ' O ' HG22 ' A' ' 105' ' ' VAL . 0.0 OUTLIER -64.2 -28.66 69.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.087 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -71.18 -44.24 65.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.022 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.47 -36.63 79.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.108 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.494 HD12 ' HA ' ' A' ' 101' ' ' ARG . 9.7 mt -68.69 -54.35 21.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.302 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.764 HG22 ' O ' ' A' ' 101' ' ' ARG . 29.4 m -61.01 -32.23 52.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.477 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.77 -3.06 42.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.585 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 64.82 45.9 91.2 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.332 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 16.8 mtt180 -104.07 7.62 36.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.555 0.217 . . . . 0.0 111.338 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.641 HD22 ' SD ' ' A' ' 186' ' ' MET . 0.6 OUTLIER -155.9 110.65 2.14 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.679 179.908 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -49.56 132.63 30.67 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.513 2.142 . . . . 0.0 112.573 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -145.64 168.29 21.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.739 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.41 159.48 14.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.082 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -56.42 -47.91 78.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.968 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.23 -42.48 77.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.621 -179.095 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 74.9 m -69.12 -40.04 78.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.859 0.361 . . . . 0.0 110.357 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 38.4 mt -59.22 -48.82 80.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.298 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.457 ' HB1' ' HB3' ' A' ' 157' ' ' LYS . . . -68.59 -36.27 78.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.362 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.418 ' HG ' ' CE2' ' A' ' 122' ' ' TYR . 6.2 tt -66.57 -51.74 53.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.929 0.395 . . . . 0.0 110.738 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.801 HD22 ' CD2' ' A' ' 177' ' ' PHE . 62.3 mt -60.24 -34.27 73.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.409 179.682 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.446 ' HA2' HD22 ' A' ' 146' ' ' LEU . . . -71.52 -52.33 13.17 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.367 179.442 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 9.2 m -53.45 -35.46 60.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.596 0.236 . . . . 0.0 111.552 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.438 ' CE2' ' HB3' ' A' ' 176' ' ' GLU . 17.3 m-85 -74.43 -44.4 52.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.741 0.305 . . . . 0.0 110.826 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 30.2 m -61.74 -40.6 95.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.459 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.543 HG23 ' CD1' ' A' ' 128' ' ' LEU . 28.3 mm -63.09 -48.89 85.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.344 179.548 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -57.98 -37.21 73.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.708 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 16.8 m -78.72 -24.51 44.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.209 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.32 -43.11 19.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.196 -179.227 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.543 ' CD1' HG23 ' A' ' 124' ' ' ILE . 0.9 OUTLIER -110.3 0.74 18.17 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.967 -0.56 . . . . 0.0 112.197 -178.385 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 C-N-CA 120.34 -0.933 . . . . 0.0 112.59 179.838 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.681 ' CG1' HD11 ' A' ' 146' ' ' LEU . 5.0 t . . . . . 0 CA--C 1.528 0.129 0 CA-C-O 120.689 0.281 . . . . 0.0 111.337 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.36 -14.61 41.72 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.414 179.673 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.91 -28.63 24.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.871 0.367 . . . . 0.0 110.782 179.697 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 144' ' ' PHE . . . . . 0.425 ' CE2' HD11 ' A' ' 128' ' ' LEU . 57.1 m-85 -109.12 119.36 39.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 145' ' ' LYS . . . . . 0.482 ' O ' HG11 ' A' ' 105' ' ' VAL . 0.0 OUTLIER -81.75 99.18 8.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.059 -179.922 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.681 HD11 ' CG1' ' A' ' 141' ' ' VAL . 1.4 mt -92.04 -15.38 27.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.209 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -162.47 155.67 17.17 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 120.738 0.304 . . . . 0.0 111.138 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.49 -49.45 1.75 Allowed 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.531 2.154 . . . . 0.0 112.232 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -104.07 68.91 0.92 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.718 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -72.6 116.88 13.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.102 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -113.21 161.98 16.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.776 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -44.85 -42.16 7.72 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.312 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -57.81 -52.1 66.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.929 ' O ' HG23 ' A' ' 158' ' ' VAL . 28.3 tp -61.58 -46.71 88.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.479 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.74 -52.5 64.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.754 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -53.1 -53.6 47.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.94 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.457 ' HB3' ' HB1' ' A' ' 117' ' ' ALA . 6.1 tptt -57.37 -29.18 63.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.139 -179.118 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.929 HG23 ' O ' ' A' ' 154' ' ' LEU . 58.9 t -67.03 -51.66 51.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.945 0.402 . . . . 0.0 110.616 179.31 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 8.3 mtt -68.24 -42.84 79.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.808 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -57.61 -51.12 70.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.82 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 28.4 mt -60.59 -38.67 85.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.684 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 162' ' ' HIS . . . . . 0.449 ' CD2' HG22 ' A' ' 124' ' ' ILE . 1.5 t-80 -62.63 -56.66 15.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.702 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 12.4 ttmt -61.64 -33.91 74.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.763 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 7.1 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.23 -179.803 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 169' ' ' THR . . . . . 0.408 ' HB ' ' HD2' ' A' ' 170' ' ' PRO . 18.2 p . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.675 0.274 . . . . 0.0 110.625 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 170' ' ' PRO . . . . . 0.408 ' HD2' ' HB ' ' A' ' 169' ' ' THR . 8.5 Cg_endo -50.31 -53.97 6.22 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.534 2.156 . . . . 0.0 111.823 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -52.95 -39.92 63.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.231 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.67 -39.55 77.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.567 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -74.2 -43.26 57.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.649 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.46 -42.85 92.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.518 179.534 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 175' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 175' ' ' LEU . 14.6 tp -72.34 -31.82 65.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.179 179.447 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 176' ' ' GLU . . . . . 0.438 ' HB3' ' CE2' ' A' ' 122' ' ' TYR . 18.0 mm-40 -60.63 -53.67 54.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.839 -179.182 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 177' ' ' PHE . . . . . 0.801 ' CD2' HD22 ' A' ' 119' ' ' LEU . 14.1 t80 -70.59 -46.51 63.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.669 0.271 . . . . 0.0 110.764 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 178' ' ' LEU . . . . . 0.728 HD11 ' CG ' ' A' ' 93' ' ' ARG . 42.4 mt -58.65 -41.92 87.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.829 0.347 . . . . 0.0 110.638 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -68.14 -32.57 72.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.647 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 180' ' ' ASN . . . . . 0.809 ' O ' HD12 ' A' ' 184' ' ' LEU . 0.9 OUTLIER -71.03 -49.78 41.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.154 179.279 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -61.18 -38.03 85.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.723 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.93 -34.39 76.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.614 179.8 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.87 -19.98 65.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.014 179.628 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.809 HD12 ' O ' ' A' ' 180' ' ' ASN . 1.2 mp -104.56 14.26 30.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.676 -179.492 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 53.58 34.35 18.39 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.816 0.341 . . . . 0.0 111.084 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 186' ' ' MET . . . . . 0.641 ' SD ' HD22 ' A' ' 109' ' ' LEU . 6.6 mmm -59.1 -36.22 74.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.963 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 187' ' ' TYR . . . . . 0.657 ' CE2' HD21 ' A' ' 96' ' ' LEU . 11.8 p90 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.255 -0.878 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.843 0.354 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -74.38 -47.8 31.92 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.317 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 46.8 mm -59.19 -45.1 93.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.065 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.449 HG23 ' N ' ' A' ' 93' ' ' ARG . 7.8 t -65.28 -49.94 67.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.074 -179.714 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.593 ' HG3' HD11 ' A' ' 178' ' ' LEU . 34.9 ttm180 -54.45 -51.13 65.96 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.552 -178.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -56.26 -54.59 43.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.903 0.382 . . . . 0.0 110.818 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -61.37 -28.52 69.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.987 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.428 ' HB2' ' O ' ' A' ' 92' ' ' THR . 5.5 tp -68.1 -55.45 12.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.892 0.377 . . . . 0.0 110.669 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 2.6 t -53.8 -40.4 66.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.772 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 95.6 mt -61.07 -46.99 88.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.672 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -64.8 -47.43 78.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.451 ' O ' HD12 ' A' ' 104' ' ' ILE . 6.0 mt -58.24 -45.78 87.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.81 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.676 ' O ' HG22 ' A' ' 105' ' ' VAL . 2.2 ttm-85 -66.48 -28.51 68.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.259 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -71.19 -44.28 65.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.235 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -70.96 -45.75 63.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.293 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.451 HD12 ' O ' ' A' ' 100' ' ' LEU . 16.3 mt -58.36 -54.19 36.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.423 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.676 HG22 ' O ' ' A' ' 101' ' ' ARG . 29.1 m -56.24 -32.41 34.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.639 -179.593 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -84.3 -1.95 56.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.559 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 69.43 32.88 71.91 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.602 -0.808 . . . . 0.0 112.339 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -83.26 1.35 41.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.55 0.214 . . . . 0.0 111.467 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.1 tt -151.26 130.09 6.31 Favored Pre-proline 0 C--N 1.332 -0.187 0 CA-C-O 120.509 0.195 . . . . 0.0 110.656 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.94 125.98 12.68 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.401 2.068 . . . . 0.0 112.425 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 1.6 m -138.75 168.34 20.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.565 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.5 p -100.21 164.38 11.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.127 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -57.4 -50.69 72.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.857 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.26 -45.02 80.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.641 -179.054 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 94.6 m -66.28 -42.64 88.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.836 0.351 . . . . 0.0 110.623 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 38.5 mt -56.52 -48.28 77.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.291 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.523 ' HB1' ' HB3' ' A' ' 157' ' ' LYS . . . -69.01 -35.82 77.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.446 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 5.9 tt -66.42 -51.73 53.96 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.882 0.372 . . . . 0.0 110.762 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.537 HD22 ' CD2' ' A' ' 177' ' ' PHE . 55.5 mt -60.99 -34.05 74.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.386 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -71.14 -52.49 13.49 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.044 179.351 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 10.0 t -53.57 -33.39 54.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.641 0.258 . . . . 0.0 111.295 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.411 ' CE1' ' OE1' ' A' ' 176' ' ' GLU . 9.7 m-85 -72.91 -47.58 44.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.81 0.338 . . . . 0.0 110.725 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 79.7 m -59.85 -35.32 74.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.568 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.468 HG23 HD12 ' A' ' 128' ' ' LEU . 32.0 mm -66.38 -51.09 62.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.492 179.573 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -57.97 -36.17 72.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.778 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.12 -23.55 47.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.025 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.15 -46.51 12.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.287 -179.356 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.468 HD12 HG23 ' A' ' 124' ' ' ILE . 1.0 OUTLIER -106.93 1.38 24.49 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.045 -0.525 . . . . 0.0 112.227 -178.555 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 0.249 0 C-N-CA 120.374 -0.917 . . . . 0.0 112.769 179.732 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.851 ' CG1' HD11 ' A' ' 146' ' ' LEU . 3.2 t . . . . . 0 CA--C 1.529 0.148 0 CA-C-O 120.631 0.253 . . . . 0.0 111.565 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.3 m -61.57 -14.17 27.81 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.767 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 32.5 p30 -95.27 -24.5 16.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.765 0.317 . . . . 0.0 110.841 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -87.5 128.0 35.24 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.928 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.87 88.49 7.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.851 HD11 ' CG1' ' A' ' 141' ' ' VAL . 4.1 mt -90.04 -22.06 22.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.207 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.623 ' HB1' ' HD2' ' A' ' 148' ' ' PRO . . . -170.17 163.08 6.37 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.211 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 148' ' ' PRO . . . . . 0.623 ' HD2' ' HB1' ' A' ' 147' ' ' ALA . 58.2 Cg_endo -71.56 -40.1 3.16 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.625 2.217 . . . . 0.0 112.265 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -108.61 70.42 0.75 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.753 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -80.91 114.99 20.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.211 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 2.2 p -114.99 168.35 9.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.645 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -47.94 -36.57 12.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.633 179.616 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -61.75 -57.02 13.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.723 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.939 ' O ' HG23 ' A' ' 158' ' ' VAL . 26.6 tp -60.69 -42.37 97.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.422 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -59.66 -53.84 53.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.632 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -54.15 -51.27 64.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.008 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.523 ' HB3' ' HB1' ' A' ' 117' ' ' ALA . 1.1 tptt -57.54 -31.95 66.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.229 -179.254 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.939 HG23 ' O ' ' A' ' 154' ' ' LEU . 90.2 t -67.13 -50.36 64.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.825 0.345 . . . . 0.0 110.713 179.493 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 11.5 mtt -68.17 -40.67 82.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -58.08 -55.14 38.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 25.7 mt -60.57 -35.27 75.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.695 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 162' ' ' HIS . . . . . 0.445 ' CE1' HG22 ' A' ' 124' ' ' ILE . 15.8 t-160 -60.27 -53.87 52.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.706 179.793 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 15.4 tttt -71.67 -29.09 64.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.897 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 18.2 p . . . . . 0 C--N 1.331 -0.222 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 -179.941 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.527 0.094 0 CA-C-O 120.706 0.289 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.99 -47.95 13.81 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.535 2.157 . . . . 0.0 112.089 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -50.4 -41.28 51.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.345 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -57.8 -45.2 86.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.638 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -67.92 -41.96 81.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.613 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -60.66 -42.91 97.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.438 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 15.4 tp -72.59 -32.71 66.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.325 179.477 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 176' ' ' GLU . . . . . 0.411 ' OE1' ' CE1' ' A' ' 122' ' ' TYR . 28.7 mt-10 -61.13 -52.7 63.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.985 -179.004 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 177' ' ' PHE . . . . . 0.537 ' CD2' HD22 ' A' ' 119' ' ' LEU . 10.0 t80 -71.25 -45.44 63.22 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.973 -0.291 . . . . 0.0 110.541 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 178' ' ' LEU . . . . . 0.593 HD11 ' HG3' ' A' ' 93' ' ' ARG . 89.3 mt -58.48 -41.97 86.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.01 0.433 . . . . 0.0 110.38 179.565 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -68.51 -32.24 72.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.765 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 180' ' ' ASN . . . . . 0.79 ' O ' HD12 ' A' ' 184' ' ' LEU . 0.6 OUTLIER -71.31 -49.9 37.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.13 179.369 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -61.92 -37.9 86.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.801 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.05 -37.85 86.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.645 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.83 -18.25 65.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.008 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.79 HD12 ' O ' ' A' ' 180' ' ' ASN . 1.1 mp -107.9 -3.15 19.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.876 -179.438 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 1.4 m 61.2 38.01 17.03 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.824 0.345 . . . . 0.0 110.947 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 27.6 mmm -63.45 -21.54 66.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 187' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.251 -0.88 . . . . 0.0 110.897 -179.928 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.416 ' HA ' HG22 ' A' ' 92' ' ' THR . 15.3 tp10 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.907 0.384 . . . . 0.0 110.529 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -75.95 -47.8 23.71 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 178.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 42.1 mm -60.95 -45.11 99.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.058 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.469 HG23 ' N ' ' A' ' 93' ' ' ARG . 10.7 t -63.34 -51.44 65.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.27 -179.469 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.701 ' HG3' HD11 ' A' ' 178' ' ' LEU . 5.2 ttm180 -54.41 -50.22 68.1 Favored 'General case' 0 C--O 1.231 0.099 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 -178.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -55.32 -54.64 41.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.936 0.398 . . . . 0.0 110.841 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -63.25 -28.27 69.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.174 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.442 HD12 ' HA ' ' A' ' 96' ' ' LEU . 5.5 tp -67.11 -55.39 14.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.939 0.4 . . . . 0.0 110.87 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 56.3 m -58.26 -35.51 71.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.644 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 98' ' ' LEU . 23.4 mt -62.45 -46.66 87.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.261 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.445 ' HA ' ' HG2' ' A' ' 102' ' ' GLN . 8.3 pt20 -68.78 -38.14 79.79 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.809 0.338 . . . . 0.0 111.253 -179.694 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.523 HD11 ' CE2' ' A' ' 187' ' ' TYR . 6.8 mt -70.15 -42.05 73.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.248 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.544 ' O ' HG22 ' A' ' 105' ' ' VAL . 0.0 OUTLIER -71.39 -33.28 69.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.839 -179.178 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.445 ' HG2' ' HA ' ' A' ' 99' ' ' GLN . 6.1 pt20 -71.94 -38.33 69.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.878 0.371 . . . . 0.0 110.786 179.539 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.29 -46.09 68.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.163 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.434 HD12 ' O ' ' A' ' 100' ' ' LEU . 18.7 mt -60.41 -51.73 69.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.303 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.544 HG22 ' O ' ' A' ' 101' ' ' ARG . 30.8 m -58.91 -32.16 46.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.754 0.312 . . . . 0.0 111.404 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -77.63 -2.48 36.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.615 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 69.45 32.33 71.58 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.627 -0.796 . . . . 0.0 112.465 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 55.1 mmm-85 -98.7 3.08 47.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.538 0.209 . . . . 0.0 111.411 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.88 HD23 ' HD2' ' A' ' 110' ' ' PRO . 0.4 OUTLIER -144.0 130.72 10.28 Favored Pre-proline 0 C--N 1.332 -0.181 0 CA-C-N 116.731 -0.213 . . . . 0.0 110.63 179.907 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.88 ' HD2' HD23 ' A' ' 109' ' ' LEU . 69.3 Cg_endo -74.22 121.71 7.05 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.46 2.107 . . . . 0.0 112.482 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -140.16 168.24 20.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.685 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -101.72 164.83 11.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.928 0.394 . . . . 0.0 111.035 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.425 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 52.9 t80 -58.99 -51.05 71.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.828 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.2 -41.55 75.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.534 -179.065 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.633 HG22 ' CD1' ' A' ' 119' ' ' LEU . 99.6 m -69.57 -39.17 77.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.831 0.348 . . . . 0.0 110.294 179.704 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 116' ' ' LEU . 18.1 mt -59.49 -48.64 80.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.176 179.451 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.471 ' HB1' ' HB3' ' A' ' 157' ' ' LYS . . . -68.8 -35.92 77.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.514 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.419 ' HG ' ' CE2' ' A' ' 122' ' ' TYR . 7.0 tt -68.28 -51.95 39.2 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.906 0.384 . . . . 0.0 110.931 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.683 HD22 ' CD2' ' A' ' 177' ' ' PHE . 21.8 mt -60.03 -34.24 73.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.369 179.637 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.407 ' O ' HG12 ' A' ' 124' ' ' ILE . . . -71.33 -50.69 20.41 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.111 179.293 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 40.0 m -53.56 -36.07 61.48 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.645 0.239 . . . . 0.0 111.645 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.443 ' CE2' ' HB3' ' A' ' 176' ' ' GLU . 22.9 m-85 -74.94 -44.39 48.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.829 0.347 . . . . 0.0 110.89 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 61.5 m -62.44 -42.01 99.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.649 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.566 HG23 ' CD1' ' A' ' 128' ' ' LEU . 25.0 mm -62.67 -49.61 83.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.602 179.608 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' GLN . . . . . 0.409 ' O ' ' CA ' ' A' ' 129' ' ' GLY . 3.3 tm0? -59.29 -36.44 75.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.756 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 5.4 p -78.96 -26.54 43.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.162 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -80.14 -40.9 26.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.146 -179.222 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.566 ' CD1' HG23 ' A' ' 124' ' ' ILE . 1.1 mp -111.35 0.35 16.62 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.213 -178.314 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.409 ' CA ' ' O ' ' A' ' 125' ' ' GLN . . . . . . . . 0 N--CA 1.448 -0.558 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.505 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.826 HG11 HD11 ' A' ' 146' ' ' LEU . 22.0 t . . . . . 0 CA--C 1.529 0.172 0 CA-C-O 120.617 0.246 . . . . 0.0 111.45 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 29.9 m -61.56 -14.18 27.76 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.805 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.77 -28.43 21.71 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.785 0.326 . . . . 0.0 110.838 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 144' ' ' PHE . . . . . 0.448 ' CE2' HD11 ' A' ' 128' ' ' LEU . 92.9 m-85 -93.33 123.19 36.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.94 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 145' ' ' LYS . . . . . 0.43 ' O ' HG11 ' A' ' 105' ' ' VAL . 8.8 mtmt -78.43 96.16 5.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.103 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 1.03 HD13 HG21 ' A' ' 158' ' ' VAL . 3.6 mt -86.14 -21.04 27.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.101 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.756 ' HB1' ' HD2' ' A' ' 148' ' ' PRO . . . -176.07 166.94 1.65 Allowed Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.033 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 148' ' ' PRO . . . . . 0.756 ' HD2' ' HB1' ' A' ' 147' ' ' ALA . 44.9 Cg_endo -68.46 -46.96 1.68 Allowed 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.52 2.146 . . . . 0.0 112.297 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -103.08 71.37 1.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -78.13 121.22 24.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.948 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 3.4 p -120.1 166.87 12.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.917 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.52 -35.33 12.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.688 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 153' ' ' GLU . . . . . 0.425 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -62.5 -57.74 10.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.63 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.932 ' O ' HG23 ' A' ' 158' ' ' VAL . 45.8 tp -59.34 -44.23 92.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.404 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -59.22 -53.93 52.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.675 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -54.99 -49.91 70.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.949 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.471 ' HB3' ' HB1' ' A' ' 117' ' ' ALA . 14.4 tptt -57.49 -32.02 66.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.187 -179.205 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 1.03 HG21 HD13 ' A' ' 146' ' ' LEU . 57.3 t -67.08 -52.76 40.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.891 0.377 . . . . 0.0 111.022 179.665 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 11.0 mtm -67.95 -42.67 80.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.145 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -57.03 -55.16 38.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.053 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 23.4 mt -59.6 -37.56 78.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.821 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -54.49 -53.66 51.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.992 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.37 -25.09 46.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.058 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 10.4 t . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.219 -179.741 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 169' ' ' THR . . . . . 0.455 ' HB ' ' HD2' ' A' ' 170' ' ' PRO . 69.4 p . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.651 0.262 . . . . 0.0 110.617 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 170' ' ' PRO . . . . . 0.455 ' HD2' ' HB ' ' A' ' 169' ' ' THR . 6.6 Cg_endo -48.85 -52.86 7.88 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.609 2.206 . . . . 0.0 112.174 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -50.41 -41.12 51.81 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.456 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -57.81 -45.57 85.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.719 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -65.18 -43.54 91.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.656 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -60.62 -42.38 96.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.282 0.563 . . . . 0.0 110.64 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 14.7 tp -72.59 -34.48 67.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.419 -0.809 . . . . 0.0 111.411 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 176' ' ' GLU . . . . . 0.443 ' HB3' ' CE2' ' A' ' 122' ' ' TYR . 30.5 mm-40 -60.16 -54.33 47.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.992 -178.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 177' ' ' PHE . . . . . 0.683 ' CD2' HD22 ' A' ' 119' ' ' LEU . 16.5 t80 -68.59 -46.89 68.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.611 0.243 . . . . 0.0 110.635 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 178' ' ' LEU . . . . . 0.701 HD11 ' HG3' ' A' ' 93' ' ' ARG . 35.6 mt -58.43 -38.36 77.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.057 0.456 . . . . 0.0 110.333 179.546 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.12 -33.85 75.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.827 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -73.6 -49.74 24.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.446 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -60.81 -37.83 83.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.577 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 10.4 mttm -67.55 -39.03 84.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.046 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 9.6 mtpt -77.76 -22.01 50.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.129 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.3 mt -91.08 -8.53 48.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.359 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 63.57 71.32 0.5 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.885 0.374 . . . . 0.0 110.886 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 28.6 mmm -108.42 -26.69 10.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.956 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 187' ' ' TYR . . . . . 0.523 ' CE2' HD11 ' A' ' 100' ' ' LEU . 11.8 m-85 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.918 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.511 ' HA ' HG22 ' A' ' 92' ' ' THR . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.896 0.379 . . . . 0.0 110.947 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -71.86 -48.43 46.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.201 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 17.7 mt -67.3 -46.15 84.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.127 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.511 HG22 ' HA ' ' A' ' 89' ' ' GLU . 7.1 t -55.86 -51.84 66.13 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 121.036 -0.266 . . . . 0.0 110.674 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.823 ' CG ' HD11 ' A' ' 178' ' ' LEU . 2.9 ttp180 -54.94 -46.44 74.98 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-O 120.778 0.323 . . . . 0.0 110.896 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -52.48 -55.2 23.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.976 0.417 . . . . 0.0 110.868 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -67.98 -28.4 67.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.249 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 7.5 tp -67.9 -52.2 39.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.842 0.353 . . . . 0.0 110.616 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 9.0 m -58.69 -44.05 90.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.678 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 71.9 mt -57.84 -42.08 83.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -67.96 -47.99 67.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.086 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.524 HD21 ' HB2' ' A' ' 186' ' ' MET . 4.2 mt -61.79 -45.45 93.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.935 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.622 ' HA ' HD12 ' A' ' 104' ' ' ILE . 0.0 OUTLIER -66.72 -28.34 68.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.08 -179.908 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -71.3 -38.39 71.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.932 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -71.03 -40.13 71.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.622 HD12 ' HA ' ' A' ' 101' ' ' ARG . 11.2 mt -64.01 -49.74 80.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.147 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.578 HG11 ' O ' ' A' ' 145' ' ' LYS . 27.2 m -61.16 -32.21 52.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.497 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -80.93 -4.35 54.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.467 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 69.1 31.57 72.24 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.46 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 5.2 mtm-85 -86.21 2.82 45.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.564 0.221 . . . . 0.0 111.413 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -155.94 118.35 2.3 Favored Pre-proline 0 C--N 1.332 -0.159 0 CA-C-O 120.496 0.189 . . . . 0.0 110.769 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.7 126.85 23.21 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.508 2.139 . . . . 0.0 112.438 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -141.06 168.34 20.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.676 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 7.6 p -101.9 161.2 13.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.103 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -57.33 -47.78 80.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.85 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.25 -40.75 74.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.568 -179.089 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.469 HG22 ' CD1' ' A' ' 119' ' ' LEU . 78.5 m -71.27 -38.34 71.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.882 0.372 . . . . 0.0 110.344 179.732 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 116' ' ' LEU . 26.3 mt -60.31 -47.55 85.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.168 179.465 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.445 ' HB1' ' HB3' ' A' ' 157' ' ' LYS . . . -71.12 -35.27 71.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.523 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 6.6 tt -68.76 -51.92 35.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.847 0.356 . . . . 0.0 110.851 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.81 HD22 ' CD2' ' A' ' 177' ' ' PHE . 68.1 mt -61.77 -34.12 75.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.269 179.61 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.408 ' O ' HG12 ' A' ' 124' ' ' ILE . . . -71.28 -49.79 24.71 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.747 -0.74 . . . . 0.0 111.786 179.197 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 49.8 m -53.44 -36.84 62.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.623 0.249 . . . . 0.0 111.49 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.456 ' CE2' ' HB3' ' A' ' 176' ' ' GLU . 24.7 m-85 -72.81 -46.0 55.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.744 0.307 . . . . 0.0 110.788 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 70.1 m -59.96 -39.3 85.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.684 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.542 HG23 HD12 ' A' ' 128' ' ' LEU . 32.2 mm -63.76 -49.51 81.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.532 179.559 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' GLN . . . . . 0.421 ' HA ' ' CE1' ' A' ' 162' ' ' HIS . 17.5 tm0? -59.48 -36.23 75.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.76 -27.53 44.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.145 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.34 -43.89 22.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.161 -179.373 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.817 HD11 ' CE2' ' A' ' 144' ' ' PHE . 1.3 mt -107.23 0.89 23.57 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.023 -178.719 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.414 ' CA ' ' O ' ' A' ' 125' ' ' GLN . . . . . . . . 0 N--CA 1.449 -0.453 0 C-N-CA 120.391 -0.909 . . . . 0.0 112.458 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.738 HG13 HD11 ' A' ' 146' ' ' LEU . 6.2 t . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.817 0.341 . . . . 0.0 111.069 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.71 -14.39 43.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.506 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -93.09 -25.66 17.8 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.809 0.338 . . . . 0.0 110.825 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' PHE . . . . . 0.817 ' CE2' HD11 ' A' ' 128' ' ' LEU . 79.0 m-85 -98.81 120.09 38.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.897 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 145' ' ' LYS . . . . . 0.578 ' O ' HG11 ' A' ' 105' ' ' VAL . 21.2 mttt -78.46 94.57 4.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.006 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.738 HD11 HG13 ' A' ' 141' ' ' VAL . 1.3 mt -97.61 -25.73 15.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.104 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.421 ' HB1' ' CD ' ' A' ' 148' ' ' PRO . . . -162.34 167.96 11.53 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.218 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 148' ' ' PRO . . . . . 0.421 ' CD ' ' HB1' ' A' ' 147' ' ' ALA . 3.1 Cg_exo -74.43 -69.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.861 2.374 . . . . 0.0 112.33 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -86.4 74.63 9.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 150' ' ' GLN . . . . . 0.654 ' HG3' HD23 ' A' ' 154' ' ' LEU . 0.9 OUTLIER -76.43 118.04 18.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.97 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 3.3 p -116.88 170.34 8.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.826 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.29 -35.83 19.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.603 179.639 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -57.59 10.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.706 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.934 ' O ' HG23 ' A' ' 158' ' ' VAL . 39.1 tp -60.68 -42.08 96.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.342 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -59.88 -53.99 51.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.59 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -55.47 -49.02 73.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.445 ' HB3' ' HB1' ' A' ' 117' ' ' ALA . 3.4 tptp -57.55 -32.91 67.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.159 -179.199 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.934 HG23 ' O ' ' A' ' 154' ' ' LEU . 60.9 t -67.04 -49.6 71.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.857 0.36 . . . . 0.0 110.851 179.533 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 11.9 mtt -68.33 -41.01 81.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.057 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -61.38 -52.76 63.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.959 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 13.5 mt -57.62 -42.3 83.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.082 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 162' ' ' HIS . . . . . 0.421 ' CE1' ' HA ' ' A' ' 125' ' ' GLN . 3.4 t-160 -54.61 -56.71 16.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.101 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 6.6 mtpp -71.32 -25.09 62.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 45.5 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.27 -179.763 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 169' ' ' THR . . . . . 0.431 ' HB ' ' HD2' ' A' ' 170' ' ' PRO . 23.5 p . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.656 0.265 . . . . 0.0 110.716 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 170' ' ' PRO . . . . . 0.431 ' HD2' ' HB ' ' A' ' 169' ' ' THR . 50.4 Cg_exo -53.22 -52.17 9.34 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.42 2.08 . . . . 0.0 111.723 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -49.99 -43.27 50.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.427 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -58.1 -47.8 82.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.697 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -61.34 -44.69 96.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.545 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.43 -39.88 77.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.511 179.458 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 175' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 175' ' ' LEU . 7.9 tp -72.58 -37.11 68.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.5 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 176' ' ' GLU . . . . . 0.456 ' HB3' ' CE2' ' A' ' 122' ' ' TYR . 64.1 mm-40 -58.69 -54.82 42.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.313 -0.403 . . . . 0.0 112.063 -178.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 177' ' ' PHE . . . . . 0.81 ' CD2' HD22 ' A' ' 119' ' ' LEU . 11.3 t80 -70.01 -43.89 70.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.62 0.248 . . . . 0.0 110.823 -179.699 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 178' ' ' LEU . . . . . 0.823 HD11 ' CG ' ' A' ' 93' ' ' ARG . 21.6 mt -60.16 -40.08 88.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.871 0.367 . . . . 0.0 110.62 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -69.43 -33.04 72.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.78 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 180' ' ' ASN . . . . . 0.84 ' O ' HD12 ' A' ' 184' ' ' LEU . 0.9 OUTLIER -72.39 -49.84 30.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.091 179.447 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -61.52 -37.9 85.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.618 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.97 -33.7 74.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.679 179.743 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -19.64 64.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.041 179.635 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.84 HD12 ' O ' ' A' ' 180' ' ' ASN . 1.2 mp -103.64 -13.55 16.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.765 -179.328 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 2.6 m 62.89 73.79 0.45 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.83 0.348 . . . . 0.0 110.892 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 186' ' ' MET . . . . . 0.524 ' HB2' HD21 ' A' ' 100' ' ' LEU . 20.4 mtp -103.21 -26.98 12.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 187' ' ' TYR . . . . . 0.42 ' CD1' HD11 ' A' ' 100' ' ' LEU . 4.1 p90 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.909 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.436 ' HA ' HG22 ' A' ' 92' ' ' THR . 2.5 mp0 . . . . . 0 N--CA 1.46 0.04 0 CA-C-O 120.982 0.42 . . . . 0.0 110.705 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.96 -47.8 42.25 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.072 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 42.1 mm -61.06 -45.32 98.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.285 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.477 HG23 ' N ' ' A' ' 93' ' ' ARG . 9.7 t -64.05 -51.13 65.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.241 -179.4 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.523 ' CG ' HD11 ' A' ' 178' ' ' LEU . 0.3 OUTLIER -54.34 -48.54 71.3 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 120.552 0.215 . . . . 0.0 111.572 -178.888 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -56.97 -52.51 64.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.928 0.394 . . . . 0.0 110.783 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -65.08 -28.28 69.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.241 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.423 ' HB2' ' O ' ' A' ' 92' ' ' THR . 5.6 tp -70.22 -55.45 9.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.891 0.377 . . . . 0.0 110.838 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.7 m -55.67 -39.14 70.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.752 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 67.8 mt -63.11 -46.22 88.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.819 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -66.71 -48.63 68.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.977 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.589 HD11 ' CZ ' ' A' ' 187' ' ' TYR . 3.0 mt -58.84 -48.08 82.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.75 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.687 ' HA ' HD12 ' A' ' 104' ' ' ILE . 6.3 ttp180 -64.49 -28.57 69.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.088 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.32 -38.5 71.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.963 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -70.94 -37.56 72.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.094 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.687 HD12 ' HA ' ' A' ' 101' ' ' ARG . 10.7 mt -66.58 -52.88 41.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.355 -179.673 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.622 HG11 ' O ' ' A' ' 145' ' ' LYS . 27.4 m -60.91 -32.04 51.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.621 -179.645 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -79.24 -3.07 44.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.596 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 65.31 40.47 96.55 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.475 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.09 6.75 48.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.585 0.231 . . . . 0.0 111.328 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -156.12 138.15 10.03 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-O 120.603 0.239 . . . . 0.0 110.759 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.85 122.84 8.85 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.402 2.068 . . . . 0.0 112.414 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 11.4 m -137.48 168.25 20.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.632 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 88.6 p -104.06 161.23 14.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.092 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.454 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 43.9 t80 -56.82 -48.39 78.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.932 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.24 -44.72 79.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.629 -179.104 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.643 HG22 ' CD1' ' A' ' 119' ' ' LEU . 89.4 m -67.44 -39.94 85.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.836 0.35 . . . . 0.0 110.577 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 116' ' ' LEU . 16.9 mt -58.43 -48.0 82.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.024 0.44 . . . . 0.0 110.141 179.428 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.39 -35.26 75.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.549 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.422 ' HG ' ' CE2' ' A' ' 122' ' ' TYR . 6.2 tt -69.14 -52.09 31.68 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.832 0.349 . . . . 0.0 111.027 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.69 HD22 ' CD2' ' A' ' 177' ' ' PHE . 20.7 mt -60.54 -34.15 73.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.324 179.668 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.424 ' O ' HG12 ' A' ' 124' ' ' ILE . . . -71.3 -50.05 23.46 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.693 -0.765 . . . . 0.0 111.961 179.208 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 29.0 m -53.44 -36.36 61.48 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.656 0.243 . . . . 0.0 111.656 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.446 ' CE2' ' HB3' ' A' ' 176' ' ' GLU . 23.5 m-85 -74.23 -46.56 40.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.711 0.291 . . . . 0.0 110.938 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 84.1 m -58.94 -43.26 91.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.608 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.606 HD11 HD21 ' A' ' 146' ' ' LEU . 26.8 mm -61.89 -48.41 88.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.229 179.44 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -57.83 -38.48 75.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.771 179.669 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.83 -25.17 44.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.348 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -80.27 -41.47 24.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.219 -179.128 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.562 ' CD1' HG23 ' A' ' 124' ' ' ILE . 1.2 mp -113.05 1.63 15.41 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.308 -178.2 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 C-N-CA 120.368 -0.92 . . . . 0.0 112.554 179.715 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.806 ' CG1' HD11 ' A' ' 146' ' ' LEU . 21.4 t . . . . . 0 CA--C 1.528 0.114 0 CA-C-O 120.726 0.298 . . . . 0.0 111.444 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 28.1 t -64.09 -14.24 53.26 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.639 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -87.32 -26.77 23.24 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.763 0.316 . . . . 0.0 110.971 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' PHE . . . . . 0.48 ' CZ ' HD11 ' A' ' 128' ' ' LEU . 73.2 m-85 -93.44 129.36 39.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.017 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 145' ' ' LYS . . . . . 0.622 ' O ' HG11 ' A' ' 105' ' ' VAL . 5.5 mttt -85.92 92.13 8.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.945 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.806 HD11 ' CG1' ' A' ' 141' ' ' VAL . 2.9 mt -92.6 -19.15 22.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.278 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.582 ' HB1' ' HD2' ' A' ' 148' ' ' PRO . . . -171.23 161.62 5.28 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.182 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 148' ' ' PRO . . . . . 0.582 ' HD2' ' HB1' ' A' ' 147' ' ' ALA . 57.5 Cg_endo -71.15 -41.13 2.78 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.542 2.162 . . . . 0.0 112.285 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -107.08 70.94 0.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.776 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 150' ' ' GLN . . . . . 0.597 ' HG3' HD23 ' A' ' 154' ' ' LEU . 10.5 tt0 -80.05 121.65 25.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.013 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 5.5 p -120.72 168.15 11.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.812 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 152' ' ' LYS . . . . . 0.402 ' HG2' ' N ' ' A' ' 153' ' ' GLU . 0.0 OUTLIER -50.23 -33.41 19.47 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.589 179.758 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 153' ' ' GLU . . . . . 0.454 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 0.4 OUTLIER -63.51 -55.86 20.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.638 179.907 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.917 ' O ' HG23 ' A' ' 158' ' ' VAL . 43.4 tp -62.54 -40.34 96.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.289 179.662 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 155' ' ' GLU . . . . . 0.404 ' HG2' ' HG2' ' A' ' 150' ' ' GLN . 2.5 mm-40 -61.83 -53.91 49.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.67 179.635 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -54.74 -50.48 68.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.165 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 13.2 tptt -57.65 -34.68 69.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.369 -179.179 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.917 HG23 ' O ' ' A' ' 154' ' ' LEU . 91.9 t -67.05 -51.82 50.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.806 0.336 . . . . 0.0 111.211 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 10.4 mtm -68.2 -41.21 81.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.316 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.22 -54.23 43.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.012 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 9.9 mt -56.79 -40.91 76.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.852 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -57.98 -54.55 45.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.723 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.12 -31.45 71.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.956 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.417 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 169' ' ' THR . . . . . 0.416 ' HB ' ' HD2' ' A' ' 170' ' ' PRO . 69.8 p . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.684 0.278 . . . . 0.0 110.656 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 170' ' ' PRO . . . . . 0.416 ' HD2' ' HB ' ' A' ' 169' ' ' THR . 55.0 Cg_exo -51.33 -54.34 5.57 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.4 2.067 . . . . 0.0 111.638 179.72 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -51.23 -42.62 61.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.414 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.79 -44.38 86.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.62 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -67.69 -45.06 76.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.606 179.614 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -58.28 -41.58 84.68 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.561 179.518 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 175' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 175' ' ' LEU . 12.2 tp -72.47 -33.07 66.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.023 179.285 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 176' ' ' GLU . . . . . 0.446 ' HB3' ' CE2' ' A' ' 122' ' ' TYR . 23.0 mm-40 -59.43 -54.27 48.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.892 -179.104 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 177' ' ' PHE . . . . . 0.69 ' CD2' HD22 ' A' ' 119' ' ' LEU . 47.1 t80 -70.85 -43.6 68.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.671 -0.24 . . . . 0.0 110.988 -179.728 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 178' ' ' LEU . . . . . 0.523 HD11 ' CG ' ' A' ' 93' ' ' ARG . 28.4 mt -61.28 -41.23 96.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.858 0.361 . . . . 0.0 110.705 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -69.08 -32.58 72.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.811 179.615 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -72.82 -49.8 28.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.273 179.416 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -61.81 -37.81 85.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.743 179.604 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 9.1 mttm -68.75 -35.99 77.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.745 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -77.54 -21.4 52.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.186 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.6 mt -93.03 -1.53 56.52 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.41 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.98 36.72 12.32 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.802 0.334 . . . . 0.0 110.911 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 31.6 mtp -71.01 -29.51 65.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 187' ' ' TYR . . . . . 0.589 ' CZ ' HD11 ' A' ' 100' ' ' LEU . 45.2 m-85 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.93 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.432 ' HA ' HG22 ' A' ' 92' ' ' THR . 18.8 mt-10 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.865 0.364 . . . . 0.0 110.838 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.49 -47.71 39.12 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 179.178 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 49.6 mm -60.2 -46.46 94.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.979 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.465 HG23 ' N ' ' A' ' 93' ' ' ARG . 9.3 t -63.87 -50.9 66.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.019 -179.703 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.465 ' N ' HG23 ' A' ' 92' ' ' THR . 1.5 tmm_? -54.44 -51.11 66.0 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 120.537 0.208 . . . . 0.0 111.465 -179.018 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -54.18 -53.05 58.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.916 0.389 . . . . 0.0 110.736 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -64.13 -28.44 69.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.022 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.428 HD12 ' HA ' ' A' ' 96' ' ' LEU . 5.9 tp -69.28 -55.33 10.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.887 0.375 . . . . 0.0 110.643 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 72.7 m -52.82 -44.38 66.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.706 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 89.3 mt -62.56 -38.75 91.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.643 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.449 ' HA ' ' HG2' ' A' ' 102' ' ' GLN . 0.0 OUTLIER -65.89 -45.86 80.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.059 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.458 ' O ' HD12 ' A' ' 104' ' ' ILE . 3.0 mm? -69.51 -33.59 73.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.009 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.482 ' O ' HG22 ' A' ' 105' ' ' VAL . 0.0 OUTLIER -74.29 -34.16 63.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.399 -179.578 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.449 ' HG2' ' HA ' ' A' ' 99' ' ' GLN . 10.5 pt20 -71.75 -38.49 70.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.75 0.31 . . . . 0.0 110.958 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.409 ' N ' ' HG3' ' A' ' 102' ' ' GLN . 1.2 m-20 -70.48 -44.31 67.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.216 -179.713 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.458 HD12 ' O ' ' A' ' 100' ' ' LEU . 35.3 mt -61.6 -54.31 36.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.425 -179.681 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 101' ' ' ARG . 35.1 m -57.1 -32.03 38.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.64 -0.254 . . . . 0.0 111.553 -179.654 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -82.53 -3.83 56.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.508 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 66.83 38.26 92.86 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.585 -0.816 . . . . 0.0 112.426 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 14.9 ttt180 -91.3 4.1 53.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.557 0.217 . . . . 0.0 111.384 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 30.1 mt -152.16 138.9 12.18 Favored Pre-proline 0 C--N 1.332 -0.194 0 CA-C-O 120.66 0.267 . . . . 0.0 110.768 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.31 123.34 7.64 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.472 2.115 . . . . 0.0 112.409 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 66.7 m -139.94 168.26 20.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.739 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.0 162.72 12.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.083 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -56.84 -48.23 78.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.913 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.2 -47.51 78.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.664 -179.005 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.633 HG22 ' CD1' ' A' ' 119' ' ' LEU . 92.5 m -65.26 -41.8 93.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.859 0.362 . . . . 0.0 110.534 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.418 ' HA ' HD23 ' A' ' 116' ' ' LEU . 14.1 mt -56.78 -47.13 80.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.273 179.513 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.543 ' HB1' ' HB3' ' A' ' 157' ' ' LYS . . . -70.2 -35.32 73.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.553 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 8.0 tt -67.73 -51.78 45.25 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.874 0.368 . . . . 0.0 110.946 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.633 ' CD1' HG22 ' A' ' 115' ' ' THR . 13.4 mt -62.06 -34.02 75.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.409 179.637 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.483 ' CA ' HD22 ' A' ' 146' ' ' LEU . . . -71.38 -52.02 14.75 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.028 179.336 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 58.8 p -54.01 -34.36 59.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.606 0.241 . . . . 0.0 111.389 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.436 ' CE2' ' HB3' ' A' ' 176' ' ' GLU . 14.8 m-85 -73.35 -46.66 47.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.797 0.332 . . . . 0.0 110.838 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 16.3 m -59.5 -39.35 83.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.641 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.557 HG23 HD12 ' A' ' 128' ' ' LEU . 28.5 mm -64.22 -49.25 82.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.405 179.519 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' GLN . . . . . 0.43 ' HA ' ' CE1' ' A' ' 162' ' ' HIS . 2.0 tp60 -59.76 -37.52 79.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.967 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.83 -28.9 44.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.844 0.354 . . . . 0.0 111.319 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -78.63 -41.37 31.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.296 -179.199 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.843 HD11 ' CE2' ' A' ' 144' ' ' PHE . 1.7 mt -109.77 0.52 18.88 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.04 -178.579 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.411 ' CA ' ' O ' ' A' ' 125' ' ' GLN . . . . . . . . 0 N--CA 1.449 -0.47 0 C-N-CA 120.468 -0.872 . . . . 0.0 112.448 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.877 ' CG1' HD11 ' A' ' 146' ' ' LEU . 5.0 t . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.752 0.311 . . . . 0.0 111.234 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.25 -14.47 55.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.476 179.751 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -84.94 -30.56 24.2 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.822 0.344 . . . . 0.0 110.813 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' PHE . . . . . 0.843 ' CE2' HD11 ' A' ' 128' ' ' LEU . 90.7 m-85 -100.4 120.8 40.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.807 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 2.5 mttp -76.29 100.53 5.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.098 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.877 HD11 ' CG1' ' A' ' 141' ' ' VAL . 1.0 OUTLIER -91.86 -21.14 20.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.049 179.917 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.579 ' HB1' ' HD2' ' A' ' 148' ' ' PRO . . . -170.63 161.81 5.94 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.072 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 148' ' ' PRO . . . . . 0.579 ' HD2' ' HB1' ' A' ' 147' ' ' ALA . 55.3 Cg_endo -70.1 -41.48 3.81 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.545 2.163 . . . . 0.0 112.385 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -107.64 70.66 0.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.812 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -79.31 120.14 23.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.013 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 2.9 p -118.13 169.25 9.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.815 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -49.53 -36.03 22.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.624 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -61.86 -59.92 4.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.665 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.932 ' O ' HG23 ' A' ' 158' ' ' VAL . 43.2 tp -59.21 -41.17 87.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.497 179.665 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.16 -54.03 50.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.641 179.675 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -56.17 -48.39 76.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.543 ' HB3' ' HB1' ' A' ' 117' ' ' ALA . 14.1 tptt -57.51 -33.6 68.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 -179.163 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.932 HG23 ' O ' ' A' ' 154' ' ' LEU . 60.5 t -67.07 -48.42 79.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.888 0.375 . . . . 0.0 110.842 179.512 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 8.3 mtt -68.28 -41.68 80.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.969 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.3 -46.28 90.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.824 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 56.4 mt -64.1 -42.34 96.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.828 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 162' ' ' HIS . . . . . 0.43 ' CE1' ' HA ' ' A' ' 125' ' ' GLN . 4.9 t-160 -56.26 -56.7 17.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.009 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.43 -26.96 62.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.973 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.071 -179.89 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 169' ' ' THR . . . . . 0.412 ' HB ' ' HD2' ' A' ' 170' ' ' PRO . 1.2 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.626 0.25 . . . . 0.0 110.716 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 170' ' ' PRO . . . . . 0.412 ' HD2' ' HB ' ' A' ' 169' ' ' THR . 10.2 Cg_endo -53.42 -51.18 11.53 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.537 2.158 . . . . 0.0 111.967 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -50.71 -46.72 59.12 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.495 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -57.71 -50.76 72.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.806 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -59.91 -43.13 95.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.471 179.562 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -57.38 -37.93 73.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.322 179.329 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 175' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' A' ' 175' ' ' LEU . 1.3 tp -72.5 -37.43 68.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.439 179.509 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 176' ' ' GLU . . . . . 0.436 ' HB3' ' CE2' ' A' ' 122' ' ' TYR . 6.3 mm-40 -59.76 -54.62 44.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 112.217 -178.699 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 177' ' ' PHE . . . . . 0.42 ' CE2' ' HB3' ' A' ' 119' ' ' LEU . 15.0 t80 -70.02 -45.8 66.42 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.977 -0.289 . . . . 0.0 111.025 -179.572 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 178' ' ' LEU . . . . . 0.456 HD11 ' HG2' ' A' ' 93' ' ' ARG . 17.9 mt -60.78 -38.54 85.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.855 0.36 . . . . 0.0 110.692 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -69.67 -32.71 71.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.648 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 180' ' ' ASN . . . . . 0.549 ' HB3' HD21 ' A' ' 119' ' ' LEU . 0.8 OUTLIER -73.68 -49.64 24.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.197 179.389 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -61.8 -37.79 85.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.693 179.542 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 10.7 ttpp -71.34 -32.62 68.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.702 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 13.3 mtpt -75.53 -20.96 58.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.076 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.5 mt -89.94 -16.44 29.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.225 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 11.9 m 67.25 42.72 2.2 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.902 0.382 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 42.9 mtp -72.39 -30.19 64.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.86 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 187' ' ' TYR . . . . . 0.408 ' CD1' ' N ' ' A' ' 187' ' ' TYR . 3.7 p90 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.926 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.415 ' HA ' HG22 ' A' ' 92' ' ' THR . 3.5 tt0 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.725 0.298 . . . . 0.0 111.252 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -75.06 -49.02 21.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.878 0.37 . . . . 0.0 110.165 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 18.5 mt -65.07 -40.02 87.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.074 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.444 HG23 ' N ' ' A' ' 93' ' ' ARG . 6.2 t -62.85 -51.84 65.44 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.225 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.689 ' HG3' HD11 ' A' ' 178' ' ' LEU . 2.2 ttm105 -54.6 -49.01 71.46 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.735 0.303 . . . . 0.0 110.831 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -50.41 -58.98 4.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.958 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -59.43 -43.66 93.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.748 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.6 tp -51.67 -55.25 20.53 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.13 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.6 m -57.43 -39.79 76.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.864 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 64.5 mt -62.98 -46.74 86.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.07 -48.2 77.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.008 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.463 HD11 ' CE1' ' A' ' 187' ' ' TYR . 6.9 mt -56.24 -50.82 70.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.955 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.717 ' HA ' HD12 ' A' ' 104' ' ' ILE . 5.0 ttm180 -63.79 -28.57 69.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.162 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -71.34 -39.74 71.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.182 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -70.93 -35.48 72.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.229 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.717 HD12 ' HA ' ' A' ' 101' ' ' ARG . 9.2 mt -68.02 -52.39 39.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.444 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.422 HG11 ' HG3' ' A' ' 145' ' ' LYS . 28.3 m -59.48 -31.96 47.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.667 -179.574 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -81.95 -2.1 50.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.588 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 68.57 34.26 78.41 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.583 -0.817 . . . . 0.0 112.331 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.68 2.52 54.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.492 0.186 . . . . 0.0 111.411 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.603 HD22 ' SD ' ' A' ' 186' ' ' MET . 0.6 OUTLIER -154.11 134.08 7.81 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-O 120.564 0.221 . . . . 0.0 110.67 179.895 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.31 124.28 10.29 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.49 2.127 . . . . 0.0 112.46 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 14.7 m -140.01 144.48 36.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.727 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 41.2 m -80.56 161.59 24.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.109 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -54.31 -47.08 72.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.94 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -55.96 -52.36 64.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.583 -178.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.738 HG22 HD11 ' A' ' 119' ' ' LEU . 97.4 m -59.79 -46.06 90.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.802 0.334 . . . . 0.0 110.686 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 116' ' ' LEU . 30.2 mt -52.82 -48.76 66.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.009 0.433 . . . . 0.0 110.408 179.583 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -68.05 -35.63 78.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.686 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 8.3 tt -68.22 -52.08 38.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.784 0.326 . . . . 0.0 111.185 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.738 HD11 HG22 ' A' ' 115' ' ' THR . 8.7 mt -60.45 -34.73 74.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.995 0.426 . . . . 0.0 110.475 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.418 ' O ' HG12 ' A' ' 124' ' ' ILE . . . -71.24 -51.05 19.26 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.112 179.392 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 40.7 m -53.39 -35.36 60.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.594 0.235 . . . . 0.0 111.602 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.438 ' CD2' ' HB3' ' A' ' 176' ' ' GLU . 21.1 m-85 -75.65 -42.07 52.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.748 0.309 . . . . 0.0 111.025 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' THR . . . . . 0.433 HG21 ' HE ' ' A' ' 101' ' ' ARG . 22.2 m -65.89 -40.09 91.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.77 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.488 HG23 ' CD1' ' A' ' 128' ' ' LEU . 20.7 mm -64.65 -50.97 73.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.736 179.731 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' GLN . . . . . 0.401 ' O ' ' CA ' ' A' ' 129' ' ' GLY . 4.1 tm0? -59.58 -35.31 74.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.855 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.72 -26.4 44.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.174 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -80.67 -43.58 20.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.059 -179.381 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.644 HD11 ' CE2' ' A' ' 144' ' ' PHE . 0.8 OUTLIER -106.65 -0.76 23.45 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.881 -0.599 . . . . 0.0 112.123 -178.624 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.401 ' CA ' ' O ' ' A' ' 125' ' ' GLN . . . . . . . . 0 N--CA 1.448 -0.557 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.503 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.913 ' CG1' HD11 ' A' ' 146' ' ' LEU . 3.7 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.77 0.319 . . . . 0.0 111.251 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.7 m -63.04 -14.26 45.87 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.654 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -87.34 -28.72 22.06 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.824 0.345 . . . . 0.0 110.829 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 144' ' ' PHE . . . . . 0.644 ' CE2' HD11 ' A' ' 128' ' ' LEU . 98.8 m-85 -97.19 121.0 38.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 145' ' ' LYS . . . . . 0.422 ' HG3' HG11 ' A' ' 105' ' ' VAL . 0.0 OUTLIER -72.87 97.55 2.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.063 -179.866 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.913 HD11 ' CG1' ' A' ' 141' ' ' VAL . 0.5 OUTLIER -84.78 -24.74 28.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.085 -179.844 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.745 ' HB1' ' HD2' ' A' ' 148' ' ' PRO . . . -175.74 166.68 1.78 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.129 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 148' ' ' PRO . . . . . 0.745 ' HD2' ' HB1' ' A' ' 147' ' ' ALA . 48.7 Cg_endo -68.89 -37.72 10.99 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.559 2.173 . . . . 0.0 112.275 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -112.98 68.03 0.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.804 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 150' ' ' GLN . . . . . 0.823 ' NE2' HD12 ' A' ' 146' ' ' LEU . 16.7 tt0 -73.65 122.39 22.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.982 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 2.8 t -118.49 160.6 21.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.899 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 31.3 mttt -45.5 -38.38 6.2 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.295 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -61.15 -52.85 63.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.682 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.937 ' O ' HG23 ' A' ' 158' ' ' VAL . 50.4 tp -60.84 -45.73 93.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.473 179.682 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -58.6 -54.02 51.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.716 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -53.35 -50.33 65.25 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.841 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.4 ' O ' HD12 ' A' ' 161' ' ' LEU . 7.7 tptt -57.74 -31.38 66.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.179 -179.511 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.937 HG23 ' O ' ' A' ' 154' ' ' LEU . 58.5 t -67.03 -52.75 40.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.956 0.408 . . . . 0.0 110.896 179.731 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 7.7 mtt -68.21 -39.0 82.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.076 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -57.11 -55.07 39.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.045 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.4 HD12 ' O ' ' A' ' 157' ' ' LYS . 10.2 mt -64.75 -32.41 74.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 162' ' ' HIS . . . . . 0.48 ' CE1' HG22 ' A' ' 124' ' ' ILE . 7.1 t-160 -60.75 -56.76 17.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.76 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -73.18 -28.16 62.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.901 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 38.2 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.458 -179.766 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 32.4 p . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.732 0.301 . . . . 0.0 110.77 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.11 -54.2 5.44 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.415 2.077 . . . . 0.0 111.765 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -52.6 -40.19 62.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.303 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -45.5 85.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.585 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -65.83 -42.23 90.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.586 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.29 -41.79 89.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.223 0.535 . . . . 0.0 110.358 179.492 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 175' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 175' ' ' LEU . 10.9 tp -72.46 -32.31 66.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.079 179.348 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 176' ' ' GLU . . . . . 0.438 ' HB3' ' CD2' ' A' ' 122' ' ' TYR . 6.1 mm-40 -60.59 -54.1 49.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.908 -179.116 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 177' ' ' PHE . . . . . 0.522 ' CE1' HD22 ' A' ' 119' ' ' LEU . 65.1 t80 -71.48 -40.64 70.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.572 0.225 . . . . 0.0 110.831 -179.719 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 178' ' ' LEU . . . . . 0.689 HD11 ' HG3' ' A' ' 93' ' ' ARG . 23.5 mt -63.08 -41.88 99.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.893 0.378 . . . . 0.0 110.551 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -69.49 -32.41 71.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.914 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 180' ' ' ASN . . . . . 0.632 ' O ' HD23 ' A' ' 184' ' ' LEU . 0.8 OUTLIER -73.83 -49.97 22.64 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.46 179.614 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -66.12 -38.27 87.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.058 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 4.6 ttmt -64.67 -44.9 88.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.829 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 24.4 mtpt -77.91 -18.7 55.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.909 179.355 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.632 HD23 ' O ' ' A' ' 180' ' ' ASN . 0.2 OUTLIER -71.3 -13.2 61.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.312 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 4.0 p 66.21 39.25 4.27 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.874 0.369 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 186' ' ' MET . . . . . 0.603 ' SD ' HD22 ' A' ' 109' ' ' LEU . 12.2 mmm -82.51 -32.13 28.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.829 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 187' ' ' TYR . . . . . 0.463 ' CE1' HD11 ' A' ' 100' ' ' LEU . 3.0 p90 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.236 -0.887 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.449 ' HA ' HG22 ' A' ' 92' ' ' THR . 20.6 tt0 . . . . . 0 CA--C 1.527 0.068 0 CA-C-O 120.925 0.393 . . . . 0.0 110.621 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.48 -47.8 38.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.723 179.107 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 43.0 mm -62.63 -48.46 88.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.144 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.487 HG23 ' N ' ' A' ' 93' ' ' ARG . 11.9 t -58.4 -51.75 68.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.315 -179.428 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.487 ' N ' HG23 ' A' ' 92' ' ' THR . 1.9 ttt180 -54.4 -47.28 72.92 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 111.632 0.234 . . . . 0.0 111.632 -178.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -55.25 -53.86 50.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.929 0.395 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -66.88 -28.25 68.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.201 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.56 ' O ' HD12 ' A' ' 100' ' ' LEU . 5.9 tp -67.99 -55.29 13.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.936 0.398 . . . . 0.0 110.675 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 4.0 m -56.01 -44.54 78.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.812 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 46.6 mt -57.24 -45.24 84.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.065 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.419 ' HA ' ' HG2' ' A' ' 102' ' ' GLN . 0.0 OUTLIER -62.21 -45.15 94.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.236 -179.881 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.56 HD12 ' O ' ' A' ' 96' ' ' LEU . 3.6 mp -70.0 -36.09 74.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.309 -179.64 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.657 ' O ' HG22 ' A' ' 105' ' ' VAL . 0.0 OUTLIER -73.51 -33.61 64.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.471 -179.57 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.419 ' HG2' ' HA ' ' A' ' 99' ' ' GLN . 5.2 pt20 -71.88 -37.83 70.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.804 0.335 . . . . 0.0 110.802 179.587 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.83 -46.99 61.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.175 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.452 HD12 ' O ' ' A' ' 100' ' ' LEU . 27.2 mt -59.73 -52.78 57.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.399 -179.661 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.657 HG22 ' O ' ' A' ' 101' ' ' ARG . 28.0 m -59.57 -32.26 48.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.737 0.303 . . . . 0.0 111.428 -179.708 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.36 -3.18 41.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.582 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 69.96 28.26 72.02 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.459 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.21 1.74 39.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.559 0.219 . . . . 0.0 111.411 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -152.52 117.88 2.99 Favored Pre-proline 0 C--N 1.332 -0.187 0 CA-C-O 120.548 0.213 . . . . 0.0 110.739 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.82 126.56 22.89 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.424 2.083 . . . . 0.0 112.401 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 93.1 m -140.82 168.3 20.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.75 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.1 t -102.08 167.22 10.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.11 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.411 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 18.9 t80 -60.66 -50.24 74.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.859 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.35 -42.15 77.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.591 -179.118 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.52 HG22 ' CD1' ' A' ' 119' ' ' LEU . 93.0 m -71.22 -37.65 72.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.88 0.371 . . . . 0.0 110.34 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 17.8 mt -59.95 -45.35 92.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.086 179.334 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.99 -34.15 64.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.57 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 8.0 tt -69.71 -52.04 29.01 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.841 0.353 . . . . 0.0 110.923 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.52 ' CD1' HG22 ' A' ' 115' ' ' THR . 58.1 mt -65.11 -33.88 77.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.104 0.478 . . . . 0.0 110.203 179.541 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.437 ' O ' HG12 ' A' ' 124' ' ' ILE . . . -71.14 -50.49 22.26 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.647 179.122 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.402 ' OG ' ' HB2' ' A' ' 161' ' ' LEU . 41.7 m -56.43 -32.43 64.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.728 0.299 . . . . 0.0 111.118 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -71.36 -46.12 61.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.852 0.358 . . . . 0.0 110.352 179.475 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 72.1 m -60.16 -37.76 81.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.566 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.621 HD11 HD21 ' A' ' 146' ' ' LEU . 28.0 mm -62.91 -49.17 84.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.109 179.349 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -56.33 -40.63 74.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.668 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.87 -24.38 44.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.712 -179.683 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.83 -41.86 20.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.946 0.403 . . . . 0.0 111.492 -178.853 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.604 ' CD1' HG23 ' A' ' 124' ' ' ILE . 1.1 mp -113.66 1.46 14.92 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.313 -178.098 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.585 0 C-N-CA 120.451 -0.881 . . . . 0.0 112.286 -179.945 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.79 HG12 HD11 ' A' ' 146' ' ' LEU . 37.1 t . . . . . 0 CA--C 1.528 0.1 0 CA-C-O 120.853 0.359 . . . . 0.0 111.063 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.6 m -65.4 -14.27 60.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.375 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -83.96 -26.5 29.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.717 0.294 . . . . 0.0 111.021 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 144' ' ' PHE . . . . . 0.467 ' CE2' HD21 ' A' ' 128' ' ' LEU . 99.2 m-85 -101.81 129.08 47.93 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.107 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 145' ' ' LYS . . . . . 0.619 ' O ' HG11 ' A' ' 105' ' ' VAL . 4.9 mtmp? -81.49 95.1 6.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.137 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.79 HD11 HG12 ' A' ' 141' ' ' VAL . 0.3 OUTLIER -89.46 -20.2 24.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.227 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.58 ' HB1' ' HD2' ' A' ' 148' ' ' PRO . . . -166.3 162.14 12.14 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.11 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 148' ' ' PRO . . . . . 0.58 ' HD2' ' HB1' ' A' ' 147' ' ' ALA . 50.3 Cg_endo -69.66 -48.56 0.71 Allowed 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.509 2.139 . . . . 0.0 112.327 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -104.19 70.61 0.98 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.714 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 150' ' ' GLN . . . . . 0.669 ' NE2' HD12 ' A' ' 146' ' ' LEU . 7.4 tt0 -71.28 118.01 13.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.283 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 5.1 t -116.03 162.03 17.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.647 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -44.82 -44.18 9.26 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.211 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 153' ' ' GLU . . . . . 0.411 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 1.2 mm-40 -57.01 -48.24 78.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.91 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.942 ' O ' HG23 ' A' ' 158' ' ' VAL . 60.2 tp -67.7 -36.8 81.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.391 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -62.47 -53.95 47.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.606 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -57.6 -48.49 79.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.912 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.48 -34.19 68.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.304 -179.15 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.942 HG23 ' O ' ' A' ' 154' ' ' LEU . 88.2 t -67.09 -48.52 78.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.874 0.369 . . . . 0.0 110.848 179.719 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 14.2 mtt -68.47 -42.63 78.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.308 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.15 -55.29 36.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.267 -179.524 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.402 ' HB2' ' OG ' ' A' ' 121' ' ' SER . 71.0 mt -64.26 -36.91 85.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.889 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 162' ' ' HIS . . . . . 0.411 ' CE1' HG22 ' A' ' 124' ' ' ILE . 18.2 t-160 -57.03 -52.95 63.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.668 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -74.09 -26.46 60.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.737 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 29.8 m . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.191 -179.955 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 169' ' ' THR . . . . . 0.471 ' HB ' ' HD2' ' A' ' 170' ' ' PRO . 17.0 p . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.692 0.282 . . . . 0.0 110.791 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 170' ' ' PRO . . . . . 0.471 ' HD2' ' HB ' ' A' ' 169' ' ' THR . 9.0 Cg_endo -50.32 -48.46 19.98 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.728 2.286 . . . . 0.0 112.264 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -49.16 -40.98 34.98 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.234 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -44.21 95.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.675 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -67.4 -45.15 77.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.748 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.28 -40.92 78.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.619 179.592 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 175' ' ' LEU . . . . . 0.452 ' HG ' ' HG3' ' A' ' 179' ' ' GLU . 10.9 tp -72.28 -36.45 68.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.245 179.609 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -57.62 -54.28 48.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.077 -0.51 . . . . 0.0 112.1 -179.078 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 177' ' ' PHE . . . . . 0.439 ' CD2' HD22 ' A' ' 119' ' ' LEU . 12.1 t80 -71.26 -43.81 66.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.603 0.239 . . . . 0.0 110.898 -179.66 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 178' ' ' LEU . . . . . 0.486 HD11 ' HG3' ' A' ' 93' ' ' ARG . 20.4 mt -59.47 -42.09 91.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.831 0.348 . . . . 0.0 110.756 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 179' ' ' GLU . . . . . 0.452 ' HG3' ' HG ' ' A' ' 175' ' ' LEU . 2.4 mt-10 -69.5 -32.55 71.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.805 179.61 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 180' ' ' ASN . . . . . 0.813 ' O ' HD12 ' A' ' 184' ' ' LEU . 1.0 OUTLIER -70.83 -50.0 40.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.208 179.348 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -62.92 -37.86 88.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.081 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.91 -36.23 81.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.526 179.731 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.57 -18.38 64.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.0 179.686 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.813 HD12 ' O ' ' A' ' 180' ' ' ASN . 1.0 OUTLIER -107.89 -4.45 17.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.788 -179.42 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.16 81.9 0.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.861 0.362 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 16.8 mmm -108.63 -30.06 8.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 187' ' ' TYR . . . . . 0.433 ' CD1' ' N ' ' A' ' 187' ' ' TYR . 2.2 p90 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.487 ' HA ' HG22 ' A' ' 92' ' ' THR . 2.8 mt-10 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.837 0.351 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -72.58 -48.64 38.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.183 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 14.8 mt -66.81 -44.64 89.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.271 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.487 HG22 ' HA ' ' A' ' 89' ' ' GLU . 10.2 t -58.38 -52.05 67.26 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.524 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.526 ' CG ' HD11 ' A' ' 178' ' ' LEU . 7.0 ttm105 -54.75 -45.79 74.24 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-O 120.715 0.293 . . . . 0.0 110.942 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -52.42 -59.13 4.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.915 0.388 . . . . 0.0 110.823 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -59.87 -43.99 94.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.694 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.4 tp -51.55 -55.42 19.19 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 2.9 t -56.41 -41.06 75.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.743 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 29.1 mt -62.74 -32.72 73.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.427 ' HA ' ' HG2' ' A' ' 102' ' ' GLN . 0.0 OUTLIER -72.61 -43.63 63.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.511 HD11 ' CE2' ' A' ' 187' ' ' TYR . 7.3 mt -69.98 -35.18 74.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.038 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.475 ' O ' HG22 ' A' ' 105' ' ' VAL . 0.0 OUTLIER -72.97 -35.25 66.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.442 -179.577 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.427 ' HG2' ' HA ' ' A' ' 99' ' ' GLN . 11.7 pt20 -71.79 -37.07 70.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.843 0.354 . . . . 0.0 110.922 179.658 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -70.88 -46.02 63.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.214 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.453 HD12 ' O ' ' A' ' 100' ' ' LEU . 27.0 mt -60.37 -53.28 51.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.356 -179.689 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.726 HG11 ' O ' ' A' ' 145' ' ' LYS . 34.6 m -58.6 -32.16 45.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.513 -179.66 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -79.93 -2.16 42.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.58 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 69.66 29.78 71.11 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.363 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 1.9 mtm180 -82.83 1.62 38.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.539 0.209 . . . . 0.0 111.437 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -153.88 134.73 8.36 Favored Pre-proline 0 C--N 1.332 -0.177 0 CA-C-N 116.73 -0.214 . . . . 0.0 110.589 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.04 123.0 9.58 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.401 2.068 . . . . 0.0 112.462 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -140.56 168.25 20.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.653 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.33 163.15 12.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.053 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.413 ' CZ ' ' HA ' ' A' ' 154' ' ' LEU . 16.5 t80 -57.91 -45.08 87.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.831 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.22 -43.81 78.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.681 -179.129 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 99.3 m -70.05 -38.01 75.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.904 0.383 . . . . 0.0 110.365 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' ' 116' ' ' LEU . 18.9 mt -59.84 -45.9 90.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.118 179.429 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.25 -34.43 65.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.539 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 7.4 tt -69.54 -52.03 30.11 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.841 0.353 . . . . 0.0 110.896 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.72 HD21 ' HB3' ' A' ' 180' ' ' ASN . 91.1 mt -64.07 -34.65 78.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.074 0.464 . . . . 0.0 110.434 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.402 ' O ' HG12 ' A' ' 124' ' ' ILE . . . -71.35 -50.92 19.29 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.732 -0.747 . . . . 0.0 111.904 179.191 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 19.1 m -55.25 -34.44 64.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.651 0.262 . . . . 0.0 111.491 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.427 ' CE2' ' HB3' ' A' ' 176' ' ' GLU . 9.7 m-85 -73.29 -44.72 58.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.797 0.332 . . . . 0.0 110.71 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 69.4 m -62.36 -38.05 88.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.594 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.555 HG23 HD12 ' A' ' 128' ' ' LEU . 23.9 mm -64.14 -49.25 82.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.594 179.557 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' GLN . . . . . 0.412 ' O ' ' CA ' ' A' ' 129' ' ' GLY . 2.8 tp60 -59.9 -36.81 77.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.87 -29.24 44.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.235 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -78.6 -39.89 36.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.305 -179.127 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.555 HD12 HG23 ' A' ' 124' ' ' ILE . 1.5 mt -110.93 -0.2 16.87 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.077 -178.655 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' GLY . . . . . 0.412 ' CA ' ' O ' ' A' ' 125' ' ' GLN . . . . . . . . 0 N--CA 1.448 -0.517 0 C-N-CA 120.552 -0.833 . . . . 0.0 112.421 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.567 HG21 ' HG3' ' A' ' 159' ' ' MET . 13.3 t . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.872 0.367 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 42.0 t -65.82 -14.31 61.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.428 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -85.23 -30.61 23.71 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.868 0.366 . . . . 0.0 110.787 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 144' ' ' PHE . . . . . 0.516 ' CE2' HD11 ' A' ' 128' ' ' LEU . 95.4 m-85 -97.01 125.38 41.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.843 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 145' ' ' LYS . . . . . 0.726 ' O ' HG11 ' A' ' 105' ' ' VAL . 4.4 mtmp? -78.25 96.97 5.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.439 ' C ' HG12 ' A' ' 105' ' ' VAL . 1.0 OUTLIER -97.95 -23.6 15.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.104 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -157.65 153.73 23.51 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.236 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.85 -50.0 1.3 Allowed 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.563 2.175 . . . . 0.0 112.324 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -105.5 66.7 0.75 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.543 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 150' ' ' GLN . . . . . 0.421 ' HG3' HD23 ' A' ' 154' ' ' LEU . 2.7 tt0 -59.23 123.3 16.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.209 -179.734 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 2.8 p -112.57 149.55 32.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.607 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.76 -39.33 5.12 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.915 0.388 . . . . 0.0 110.666 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -63.87 -41.19 97.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.491 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.933 ' O ' HG23 ' A' ' 158' ' ' VAL . 51.5 tp -70.28 -45.96 65.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.07 0.462 . . . . 0.0 109.994 179.28 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -58.75 -53.74 54.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.457 179.405 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -54.28 -50.48 67.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.826 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 14.9 tptt -57.52 -30.15 64.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.928 -179.443 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.933 HG23 ' O ' ' A' ' 154' ' ' LEU . 62.6 t -67.04 -50.43 64.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.0 0.428 . . . . 0.0 110.526 179.392 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 159' ' ' MET . . . . . 0.567 ' HG3' HG21 ' A' ' 141' ' ' VAL . 7.9 mtt -68.35 -40.52 81.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.94 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -57.03 -55.3 36.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.052 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 15.0 mt -62.03 -34.81 76.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.811 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 162' ' ' HIS . . . . . 0.457 ' CE1' HG22 ' A' ' 124' ' ' ILE . 7.8 t-160 -56.69 -55.67 31.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.753 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 28.2 mttt -72.85 -27.31 61.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.98 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 19.5 p . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.204 -179.852 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 169' ' ' THR . . . . . 0.402 ' CB ' ' HD2' ' A' ' 170' ' ' PRO . 0.5 OUTLIER . . . . . 0 CA--C 1.528 0.111 0 CA-C-O 120.642 0.258 . . . . 0.0 110.867 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 170' ' ' PRO . . . . . 0.402 ' HD2' ' CB ' ' A' ' 169' ' ' THR . 19.0 Cg_endo -58.92 -45.57 27.85 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.566 2.177 . . . . 0.0 112.152 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -51.74 -43.08 62.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.273 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.91 -46.95 84.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.727 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -65.55 -44.57 86.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.669 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -57.29 -39.48 75.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.291 0.567 . . . . 0.0 110.526 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 12.8 tp -72.64 -33.28 66.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.266 179.371 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 176' ' ' GLU . . . . . 0.427 ' HB3' ' CE2' ' A' ' 122' ' ' TYR . 50.1 mm-40 -61.39 -54.54 42.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 112.027 -178.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 177' ' ' PHE . . . . . 0.514 ' CD2' HD22 ' A' ' 119' ' ' LEU . 15.1 t80 -68.76 -45.74 70.62 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.628 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 178' ' ' LEU . . . . . 0.526 HD11 ' CG ' ' A' ' 93' ' ' ARG . 34.7 mt -59.98 -38.59 82.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.882 0.372 . . . . 0.0 110.431 179.664 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -67.68 -33.34 74.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.833 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 180' ' ' ASN . . . . . 0.787 ' O ' HD12 ' A' ' 184' ' ' LEU . 0.6 OUTLIER -71.2 -49.66 41.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.183 179.476 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -60.97 -38.55 86.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.712 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.41 -35.05 78.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.772 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.02 -19.73 65.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.949 179.582 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.787 HD12 ' O ' ' A' ' 180' ' ' ASN . 1.2 mp -104.07 14.1 31.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.762 -179.417 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 6.3 m 53.26 32.7 13.96 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.823 0.344 . . . . 0.0 111.219 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 186' ' ' MET . . . . . 0.495 ' HB3' HD21 ' A' ' 100' ' ' LEU . 6.2 mmm -64.35 -33.75 76.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.84 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 187' ' ' TYR . . . . . 0.511 ' CE2' HD11 ' A' ' 100' ' ' LEU . 35.5 m-85 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.917 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.434 ' O ' ' HB2' ' A' ' 93' ' ' ARG . 2.7 pt-20 . . . . . 0 N--CA 1.461 0.082 0 CA-C-O 120.953 0.406 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.93 -46.73 88.46 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.221 179.584 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 48.1 mm -60.75 -47.59 92.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.799 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.432 HG22 ' O ' ' A' ' 89' ' ' GLU . 10.1 t -67.01 -48.84 67.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.543 -0.298 . . . . 0.0 111.016 -179.603 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.685 ' CG ' HD11 ' A' ' 178' ' ' LEU . 3.6 ttp180 -54.41 -50.03 68.55 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.299 -179.127 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -57.28 -52.96 63.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.958 0.409 . . . . 0.0 110.739 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.475 ' HA ' HD12 ' A' ' 98' ' ' LEU . 14.6 m-85 -61.94 -28.42 69.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.959 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 96' ' ' LEU . 5.9 tp -66.16 -55.22 17.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 75.1 m -57.23 -40.28 77.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.475 HD12 ' HA ' ' A' ' 95' ' ' TYR . 30.1 mt -59.48 -50.98 71.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -66.01 -46.4 78.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.004 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.553 HD11 ' CE1' ' A' ' 187' ' ' TYR . 2.8 mt -59.72 -46.44 89.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.546 ' HA ' HD12 ' A' ' 104' ' ' ILE . 4.6 tmm_? -66.39 -28.46 68.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.159 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.15 -39.43 71.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -70.68 -39.82 73.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.546 HD12 ' HA ' ' A' ' 101' ' ' ARG . 14.7 mt -64.13 -52.12 60.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.229 -179.772 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 27.3 m -58.07 -32.35 43.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.561 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -82.83 -3.71 57.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.54 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 69.08 32.85 73.27 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.297 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -84.62 2.65 40.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.533 0.206 . . . . 0.0 111.392 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.1 tt -156.62 118.78 2.2 Favored Pre-proline 0 C--N 1.332 -0.171 0 CA-C-O 120.537 0.208 . . . . 0.0 110.711 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.87 129.44 35.22 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.462 2.108 . . . . 0.0 112.422 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 61.1 m -141.92 157.58 44.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.704 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 17.7 p -88.76 160.47 17.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.035 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -58.56 -49.76 76.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.852 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.39 -39.49 73.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.493 -179.165 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.459 HG22 ' CD1' ' A' ' 119' ' ' LEU . 92.1 m -71.91 -40.03 69.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.881 0.372 . . . . 0.0 110.347 179.675 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 116' ' ' LEU . 19.7 mt -58.74 -47.11 85.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.287 179.495 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.548 ' HB1' ' HB3' ' A' ' 157' ' ' LYS . . . -71.43 -35.9 71.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.461 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 9.0 tt -67.18 -51.81 49.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.917 0.389 . . . . 0.0 110.844 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.677 HD22 ' CD2' ' A' ' 177' ' ' PHE . 54.0 mt -62.2 -33.77 75.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.187 179.491 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.412 ' O ' HG12 ' A' ' 124' ' ' ILE . . . -71.32 -51.8 15.84 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.216 179.267 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 14.1 m -53.68 -36.42 62.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.645 0.26 . . . . 0.0 111.436 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.453 ' CG ' ' OE2' ' A' ' 176' ' ' GLU . 26.0 m-85 -72.69 -44.7 61.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.724 0.297 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 18.2 m -58.84 -41.03 85.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.887 0.375 . . . . 0.0 110.373 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.546 HG23 ' CD1' ' A' ' 128' ' ' LEU . 23.1 mm -62.39 -47.69 91.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.261 179.232 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -57.76 -38.15 74.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.64 179.619 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 21.6 t -78.81 -24.62 44.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.194 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.91 -40.64 24.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.335 -179.088 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.546 ' CD1' HG23 ' A' ' 124' ' ' ILE . 1.5 mp -114.74 1.41 14.14 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.351 -178.078 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.211 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.565 179.827 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.89 ' CG1' HD11 ' A' ' 146' ' ' LEU . 25.5 t . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.718 0.294 . . . . 0.0 111.221 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.1 m -63.98 -14.15 51.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.621 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.51 -28.34 22.08 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.777 0.322 . . . . 0.0 110.89 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -94.29 128.5 40.82 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.992 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 15.3 mtmt -83.0 93.36 7.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.013 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.89 HD11 ' CG1' ' A' ' 141' ' ' VAL . 2.9 mt -87.44 -19.83 27.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.255 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.63 ' HB1' ' HD2' ' A' ' 148' ' ' PRO . . . -171.24 163.04 5.18 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 120.745 0.307 . . . . 0.0 111.181 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 148' ' ' PRO . . . . . 0.63 ' HD2' ' HB1' ' A' ' 147' ' ' ALA . 43.8 Cg_endo -68.14 -46.63 2.12 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.57 2.18 . . . . 0.0 112.195 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 -104.78 70.49 0.93 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.789 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -75.7 118.77 18.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.026 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 1.9 t -115.79 161.5 18.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.741 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 152' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 153' ' ' GLU . 0.1 OUTLIER -44.9 -39.22 5.23 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.242 -179.849 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 153' ' ' GLU . . . . . 0.402 ' N ' ' HG3' ' A' ' 152' ' ' LYS . 4.8 mm-40 -60.4 -49.31 78.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.697 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.931 ' O ' HG23 ' A' ' 158' ' ' VAL . 41.4 tp -64.23 -43.57 94.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.386 179.685 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -60.01 -54.02 50.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.636 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -53.54 -51.34 63.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.548 ' HB3' ' HB1' ' A' ' 117' ' ' ALA . 2.2 tptm -57.47 -31.8 66.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.082 -179.243 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.931 HG23 ' O ' ' A' ' 154' ' ' LEU . 93.3 t -67.09 -51.41 54.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.836 0.35 . . . . 0.0 110.887 179.589 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 8.8 mtt -68.16 -41.46 81.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.113 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -59.41 -53.63 55.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 26.3 mt -61.23 -37.85 84.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 162' ' ' HIS . . . . . 0.46 ' CD2' HG22 ' A' ' 124' ' ' ILE . 0.6 OUTLIER -56.8 -56.6 19.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.699 179.876 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.86 -26.79 63.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.762 179.686 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 47.2 t . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.143 179.959 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 169' ' ' THR . . . . . 0.448 ' HB ' ' HD2' ' A' ' 170' ' ' PRO . 40.2 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.618 0.247 . . . . 0.0 110.722 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 170' ' ' PRO . . . . . 0.448 ' HD2' ' HB ' ' A' ' 169' ' ' THR . 10.2 Cg_endo -51.44 -47.52 25.69 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.639 2.226 . . . . 0.0 112.135 179.806 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -49.07 -42.9 40.28 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.434 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.09 -42.13 84.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.873 0.368 . . . . 0.0 110.462 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 173' ' ' ALA . . . . . 0.461 ' O ' ' HG3' ' A' ' 176' ' ' GLU . . . -71.06 -34.24 71.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.471 179.507 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 174' ' ' ASP . . . . . 0.557 ' O ' HD12 ' A' ' 178' ' ' LEU . 0.7 OUTLIER -67.1 -44.77 79.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.348 179.38 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 175' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 175' ' ' LEU . 14.2 tp -72.31 -43.86 63.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.199 -0.909 . . . . 0.0 112.246 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 176' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 173' ' ' ALA . 3.0 pp20? -60.17 -49.09 79.01 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -178.368 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 177' ' ' PHE . . . . . 0.677 ' CD2' HD22 ' A' ' 119' ' ' LEU . 5.5 t80 -71.14 -45.38 63.67 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.474 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 178' ' ' LEU . . . . . 0.685 HD11 ' CG ' ' A' ' 93' ' ' ARG . 59.0 mt -59.83 -37.98 80.72 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.004 0.431 . . . . 0.0 110.14 179.332 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.39 -32.04 70.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.546 179.326 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 180' ' ' ASN . . . . . 0.402 ' O ' ' HG ' ' A' ' 184' ' ' LEU . 5.0 m-80 -71.27 -49.88 38.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.001 179.145 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -61.46 -37.48 83.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.822 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.45 -38.67 87.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.781 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 11.7 mtpt -77.85 -20.92 52.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.176 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 180' ' ' ASN . 1.3 mt -88.96 -5.93 57.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.349 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 5.0 t 62.54 32.34 16.56 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.861 0.362 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 14.7 mmm -64.92 -37.72 88.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 187' ' ' TYR . . . . . 0.553 ' CE1' HD11 ' A' ' 100' ' ' LEU . 4.7 p90 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.171 -0.919 . . . . 0.0 110.928 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.473 ' HA ' HG22 ' A' ' 92' ' ' THR . 3.0 tt0 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.966 0.412 . . . . 0.0 110.621 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.52 -48.01 29.61 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 44.7 mm -60.69 -46.28 96.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.877 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.483 HG23 ' N ' ' A' ' 93' ' ' ARG . 7.5 t -63.98 -52.66 58.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.872 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.483 ' N ' HG23 ' A' ' 92' ' ' THR . 1.6 tmm_? -54.65 -51.14 66.37 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-O 120.621 0.248 . . . . 0.0 111.443 -179.283 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -52.06 -55.97 17.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.865 0.364 . . . . 0.0 111.042 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -60.6 -43.19 97.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.824 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.417 HD21 ' CE2' ' A' ' 187' ' ' TYR . 5.4 tp -51.79 -55.5 19.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.1 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 57.3 m -56.54 -43.46 79.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.877 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 43.7 mt -59.93 -46.97 87.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -65.0 -48.6 73.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.941 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.453 HD11 ' CD1' ' A' ' 187' ' ' TYR . 5.2 mt -57.94 -49.77 75.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.866 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.565 ' O ' HG22 ' A' ' 105' ' ' VAL . 0.0 OUTLIER -62.75 -28.78 70.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.988 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -71.24 -40.26 71.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.841 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -70.81 -40.89 72.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.092 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.563 HD12 ' HA ' ' A' ' 101' ' ' ARG . 10.4 mt -63.82 -53.36 45.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.2 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.565 HG22 ' O ' ' A' ' 101' ' ' ARG . 27.2 m -58.86 -32.47 47.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.318 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -84.0 -1.16 54.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.56 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 68.7 29.43 72.74 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.505 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.05 -0.08 42.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.558 0.218 . . . . 0.0 111.402 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.665 HD23 ' HD2' ' A' ' 110' ' ' PRO . 4.7 mt -149.59 136.96 11.27 Favored Pre-proline 0 C--N 1.332 -0.186 0 CA-C-O 120.628 0.251 . . . . 0.0 110.684 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.665 ' HD2' HD23 ' A' ' 109' ' ' LEU . 61.4 Cg_endo -73.18 120.49 6.6 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.505 2.137 . . . . 0.0 112.256 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 53.4 m -138.97 168.25 20.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.71 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 58.5 m -102.21 160.87 14.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.019 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -54.45 -46.78 73.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.043 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.03 -49.15 74.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.693 -178.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.568 HG22 HD11 ' A' ' 119' ' ' LEU . 80.9 m -63.97 -41.29 97.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.786 0.327 . . . . 0.0 110.561 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 47.6 mt -56.96 -49.7 74.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.08 0.467 . . . . 0.0 110.142 179.402 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.471 ' HB1' ' HB3' ' A' ' 157' ' ' LYS . . . -67.29 -35.86 80.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.417 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.418 ' HG ' ' CE2' ' A' ' 122' ' ' TYR . 7.4 tt -67.11 -51.97 47.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.886 0.374 . . . . 0.0 110.99 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.72 HD22 ' CD2' ' A' ' 177' ' ' PHE . 17.7 mt -59.92 -33.9 72.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.49 179.758 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -71.34 -50.81 19.85 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.173 179.384 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 8.9 m -53.5 -36.9 62.21 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 111.692 0.256 . . . . 0.0 111.692 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.46 ' CE2' ' HB3' ' A' ' 176' ' ' GLU . 23.1 m-85 -74.38 -44.65 51.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.743 0.306 . . . . 0.0 111.023 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 90.3 m -60.47 -43.56 96.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.487 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.51 HG23 HD12 ' A' ' 128' ' ' LEU . 17.6 mm -61.26 -48.64 88.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.258 179.335 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? -58.54 -38.32 77.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.996 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 29.8 t -78.66 -25.56 44.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.377 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -81.02 -43.82 19.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.282 -179.277 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.51 HD12 HG23 ' A' ' 124' ' ' ILE . 1.1 mt -108.5 0.56 20.99 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.074 -0.512 . . . . 0.0 112.126 -178.563 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 0.283 0 C-N-CA 120.347 -0.93 . . . . 0.0 112.737 179.714 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.843 ' CG1' HD11 ' A' ' 146' ' ' LEU . 2.7 t . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.636 0.255 . . . . 0.0 111.471 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.63 -14.26 29.32 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.677 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -90.27 -27.79 19.22 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.843 0.354 . . . . 0.0 110.724 179.569 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -93.95 121.16 35.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 12.3 mttm -74.27 94.59 2.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.096 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.945 HD13 HG21 ' A' ' 158' ' ' VAL . 3.9 mt -82.76 -24.1 33.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.989 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.716 ' HB1' ' HD2' ' A' ' 148' ' ' PRO . . . -175.86 165.98 1.81 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.968 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 148' ' ' PRO . . . . . 0.716 ' HD2' ' HB1' ' A' ' 147' ' ' ALA . 31.4 Cg_endo -63.97 -49.28 4.08 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.499 2.133 . . . . 0.0 112.222 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -104.6 69.8 0.91 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.789 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -75.49 121.78 22.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.02 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 4.9 p -120.43 165.94 14.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.827 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 20.9 mttt -49.04 -33.67 11.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.662 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -63.76 -56.16 17.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.531 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.919 ' O ' HG23 ' A' ' 158' ' ' VAL . 40.6 tp -59.42 -46.46 88.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.337 179.498 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -58.0 -54.2 49.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.539 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -53.14 -49.23 67.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.826 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.471 ' HB3' ' HB1' ' A' ' 117' ' ' ALA . 10.7 tptt -57.84 -31.1 66.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 -179.646 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.945 HG21 HD13 ' A' ' 146' ' ' LEU . 44.2 t -66.76 -50.6 64.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.901 0.382 . . . . 0.0 110.72 179.537 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 9.9 mtt -68.33 -37.82 80.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.984 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.96 -55.31 34.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.15 -179.697 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 11.8 mt -61.17 -36.44 79.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 162' ' ' HIS . . . . . 0.432 ' CD2' HG22 ' A' ' 124' ' ' ILE . 4.5 t-80 -55.76 -50.35 70.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.047 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 9.5 mtpt -81.38 -22.68 38.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.165 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 25.2 p . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.232 -179.845 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.655 0.264 . . . . 0.0 110.805 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -52.77 -52.26 9.26 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.491 2.127 . . . . 0.0 111.732 179.671 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -49.94 -42.65 48.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.311 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -57.9 -46.35 85.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.605 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -67.06 -39.72 86.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.59 179.557 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.77 -44.57 95.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.493 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 17.6 tp -72.42 -35.33 68.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.268 179.605 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 176' ' ' GLU . . . . . 0.46 ' HB3' ' CE2' ' A' ' 122' ' ' TYR . 7.6 mm-40 -59.33 -54.66 44.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.96 -178.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 177' ' ' PHE . . . . . 0.72 ' CD2' HD22 ' A' ' 119' ' ' LEU . 14.8 t80 -69.4 -47.28 64.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.653 0.263 . . . . 0.0 110.888 -179.659 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 25.5 mt -58.84 -39.39 81.13 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.861 0.362 . . . . 0.0 110.64 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.08 -32.94 72.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.766 179.734 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 180' ' ' ASN . . . . . 0.834 ' O ' HD12 ' A' ' 184' ' ' LEU . 0.6 OUTLIER -73.17 -49.87 25.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.214 179.502 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -61.32 -37.95 85.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.549 179.494 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 26.6 tttt -68.83 -34.46 75.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.603 179.62 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -19.66 65.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.013 179.598 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.834 HD12 ' O ' ' A' ' 180' ' ' ASN . 1.2 mp -104.16 -12.58 16.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.696 -179.458 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 4.3 m 64.27 34.97 10.31 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.829 0.347 . . . . 0.0 110.871 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 2.6 mmm -60.15 -30.6 69.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 187' ' ' TYR . . . . . 0.453 ' CD1' HD11 ' A' ' 100' ' ' LEU . 4.4 p90 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.249 -0.882 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.469 ' HA ' HG22 ' A' ' 92' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.96 0.41 . . . . 0.0 110.631 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.56 -47.91 44.29 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 179.014 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 47.6 mm -60.53 -44.17 95.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.087 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.469 HG22 ' HA ' ' A' ' 89' ' ' GLU . 5.8 t -68.8 -51.24 42.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.487 -179.416 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.459 ' N ' HG23 ' A' ' 92' ' ' THR . 0.0 OUTLIER -54.56 -38.34 66.54 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 -178.479 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.431 ' N ' ' HG3' ' A' ' 93' ' ' ARG . 18.7 t80 -69.63 -51.25 36.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.897 0.379 . . . . 0.0 110.449 179.583 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -61.87 -28.31 69.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.808 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' A' ' 96' ' ' LEU . 5.8 tp -67.9 -55.3 13.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.786 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 39.0 t -55.22 -40.14 70.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.928 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 98' ' ' LEU . 16.1 mt -60.88 -47.73 85.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.723 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -64.71 -47.84 76.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.703 HD11 ' CE1' ' A' ' 187' ' ' TYR . 8.6 mt -60.38 -46.93 88.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.848 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.745 ' HA ' HD12 ' A' ' 104' ' ' ILE . 0.5 OUTLIER -63.22 -28.89 70.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 179.881 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -71.1 -39.36 72.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.114 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -70.95 -34.32 71.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.063 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.745 HD12 ' HA ' ' A' ' 101' ' ' ARG . 10.0 mt -69.36 -54.47 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.363 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.509 HG22 ' O ' ' A' ' 101' ' ' ARG . 26.9 m -58.73 -32.07 45.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.504 -179.689 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -82.74 -3.24 56.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.625 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 65.8 41.93 95.38 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.37 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -92.68 5.69 50.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.599 0.238 . . . . 0.0 111.442 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.755 HD23 ' HD2' ' A' ' 110' ' ' PRO . 0.2 OUTLIER -156.21 134.8 7.48 Favored Pre-proline 0 CA--C 1.53 0.178 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.623 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.755 ' HD2' HD23 ' A' ' 109' ' ' LEU . 52.5 Cg_endo -69.38 125.83 12.82 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.375 2.05 . . . . 0.0 112.389 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 60.0 m -138.15 168.27 20.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.648 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 41.7 t -101.6 161.74 13.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.916 0.389 . . . . 0.0 111.143 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.444 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 14.2 t80 -56.08 -49.65 73.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.964 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.18 -46.0 79.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.66 -178.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 90.0 m -64.44 -44.09 92.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.823 0.344 . . . . 0.0 110.623 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 116' ' ' LEU . 20.5 mt -54.91 -49.39 71.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.343 179.489 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -67.11 -36.36 81.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.478 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.408 ' HG ' ' CE2' ' A' ' 122' ' ' TYR . 5.8 tt -66.33 -51.77 53.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.917 0.389 . . . . 0.0 110.888 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.543 HD22 ' CD2' ' A' ' 177' ' ' PHE . 43.3 mt -59.92 -33.89 72.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.435 179.669 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.517 ' HA3' HD22 ' A' ' 146' ' ' LEU . . . -71.36 -51.81 15.66 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.184 179.416 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 69.1 m -53.55 -34.91 59.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.57 0.224 . . . . 0.0 111.42 -179.67 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.424 ' CD2' ' HB3' ' A' ' 176' ' ' GLU . 15.4 m-85 -74.26 -44.19 53.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.841 0.353 . . . . 0.0 110.743 179.775 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' THR . . . . . 0.551 HG22 ' OE1' ' A' ' 127' ' ' GLU . 34.0 m -62.2 -41.63 98.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.634 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.496 HG23 HD12 ' A' ' 128' ' ' LEU . 12.2 mm -62.28 -50.08 81.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.526 179.558 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 12.5 tp60 -59.28 -36.92 76.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.081 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 53.3 p -78.65 -26.53 45.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.356 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.551 ' OE1' HG22 ' A' ' 123' ' ' THR . 2.1 mt-10 -80.97 -44.46 18.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.28 -179.3 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.91 HD11 ' CE2' ' A' ' 144' ' ' PHE . 1.3 mt -106.91 0.16 23.64 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.052 -0.522 . . . . 0.0 112.13 -178.564 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 0.243 0 C-N-CA 120.422 -0.894 . . . . 0.0 112.758 179.726 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 1.006 HG11 HD11 ' A' ' 146' ' ' LEU . 20.4 t . . . . . 0 CA--C 1.53 0.184 0 CA-C-O 120.709 0.29 . . . . 0.0 111.347 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 7.0 t -63.13 -14.04 43.92 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.737 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -90.76 -24.35 20.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.706 0.289 . . . . 0.0 111.034 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 144' ' ' PHE . . . . . 0.91 ' CE2' HD11 ' A' ' 128' ' ' LEU . 91.8 m-85 -101.18 118.41 36.92 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.11 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.84 97.32 5.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.002 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 1.006 HD11 HG11 ' A' ' 141' ' ' VAL . 2.6 mt -86.11 -20.85 28.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.2 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -172.11 155.92 3.71 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.103 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -63.97 -25.71 66.66 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.535 2.156 . . . . 0.0 112.333 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -125.13 63.49 1.15 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.844 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 150' ' ' GLN . . . . . 0.406 ' HG3' HD23 ' A' ' 154' ' ' LEU . 11.6 tt0 -69.52 120.67 15.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.965 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 5.4 t -115.78 161.6 18.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.928 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.76 -43.54 8.61 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.31 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 153' ' ' GLU . . . . . 0.444 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -56.7 -53.42 57.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.751 179.881 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.936 ' O ' HG23 ' A' ' 158' ' ' VAL . 53.4 tp -61.36 -41.85 97.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.539 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -59.36 -53.97 52.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.829 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -54.44 -51.33 65.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.948 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 3.6 tptp -57.46 -30.94 65.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.136 -179.172 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.948 HG21 HD13 ' A' ' 146' ' ' LEU . 84.5 t -66.98 -49.56 72.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.902 0.382 . . . . 0.0 110.71 179.44 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 28.1 mtm -68.35 -41.26 80.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.117 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.94 -51.26 70.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.135 -179.716 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 11.5 mt -65.39 -36.45 84.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.086 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 -64.89 -56.66 12.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.96 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -31.65 69.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.606 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.406 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 169' ' ' THR . . . . . 0.409 ' HB ' ' HD2' ' A' ' 170' ' ' PRO . 19.9 p . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.635 0.255 . . . . 0.0 110.76 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 170' ' ' PRO . . . . . 0.409 ' HD2' ' HB ' ' A' ' 169' ' ' THR . 10.2 Cg_endo -51.16 -55.22 4.25 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.596 2.197 . . . . 0.0 111.84 179.74 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -51.67 -37.29 49.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.135 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -57.9 -43.59 86.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.467 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -67.46 -45.38 76.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.663 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.35 -43.36 83.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.537 179.606 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 175' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' A' ' 175' ' ' LEU . 12.5 tp -72.25 -29.38 63.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.06 179.367 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 176' ' ' GLU . . . . . 0.424 ' HB3' ' CD2' ' A' ' 122' ' ' TYR . 5.7 mm-40 -61.62 -52.49 64.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.684 -179.298 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 177' ' ' PHE . . . . . 0.543 ' CD2' HD22 ' A' ' 119' ' ' LEU . 18.3 t80 -71.62 -43.82 65.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.633 0.254 . . . . 0.0 110.861 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 32.0 mt -61.63 -43.08 99.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.916 0.388 . . . . 0.0 110.614 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -68.0 -32.32 72.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.876 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -73.5 -49.65 25.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.36 179.57 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -61.29 -37.85 84.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.789 179.655 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 8.1 tptt -71.11 -33.88 70.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.866 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -77.47 -22.24 51.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.111 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.6 mt -89.6 -0.33 57.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.357 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 20.9 m 63.49 36.73 11.04 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.895 0.379 . . . . 0.0 110.928 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 11.7 mtp -64.61 -41.59 96.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.924 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 187' ' ' TYR . . . . . 0.703 ' CE1' HD11 ' A' ' 100' ' ' LEU . 7.6 p90 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.967 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.441 ' HA ' HG22 ' A' ' 92' ' ' THR . 0.7 OUTLIER . . . . . 0 C--O 1.227 -0.088 0 CA-C-O 120.953 0.406 . . . . 0.0 110.916 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -54.94 -46.33 74.95 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.052 0.453 . . . . 0.0 110.544 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 40.6 mm -62.25 -49.29 84.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.915 -179.655 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.451 HG23 ' N ' ' A' ' 93' ' ' ARG . 7.6 t -65.69 -50.68 64.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.278 -179.34 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.569 ' HG2' HD11 ' A' ' 178' ' ' LEU . 0.0 OUTLIER -54.44 -46.07 73.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.599 0.238 . . . . 0.0 111.438 -179.126 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -58.93 -54.54 45.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.922 0.391 . . . . 0.0 110.638 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -62.46 -28.49 69.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.907 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 96' ' ' LEU . 6.0 tp -66.15 -55.17 17.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.903 0.382 . . . . 0.0 110.643 179.775 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 35.4 m -55.23 -41.11 71.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.634 179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 48.5 mt -58.93 -44.68 91.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.776 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.502 ' O ' ' HG3' ' A' ' 102' ' ' GLN . 0.9 OUTLIER -64.6 -40.74 96.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 179.91 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.6 HD11 ' CE1' ' A' ' 187' ' ' TYR . 11.1 mt -70.61 -36.79 73.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.547 ' O ' HG22 ' A' ' 105' ' ' VAL . 0.0 OUTLIER -75.98 -35.45 59.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.9 -179.172 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.502 ' HG3' ' O ' ' A' ' 99' ' ' GLN . 0.1 OUTLIER -71.99 -36.37 69.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.894 0.378 . . . . 0.0 110.81 179.526 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -71.11 -49.87 39.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.077 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.461 HD12 ' O ' ' A' ' 100' ' ' LEU . 41.0 mt -57.11 -50.19 77.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.21 -179.76 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.717 HG11 ' O ' ' A' ' 145' ' ' LYS . 27.6 m -60.03 -32.25 49.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.778 0.323 . . . . 0.0 111.298 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -77.72 -2.7 37.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.617 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 71.45 28.21 70.02 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.502 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 10.8 tpt180 -85.77 2.66 44.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.522 0.201 . . . . 0.0 111.43 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.535 HD23 ' HD2' ' A' ' 110' ' ' PRO . 0.6 OUTLIER -155.97 136.79 9.07 Favored Pre-proline 0 C--N 1.332 -0.191 0 CA-C-O 120.594 0.235 . . . . 0.0 110.647 179.947 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.535 ' HD2' HD23 ' A' ' 109' ' ' LEU . 59.2 Cg_endo -72.08 127.21 12.57 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.45 2.1 . . . . 0.0 112.375 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' CYS . . . . . 0.573 ' SG ' HD21 ' A' ' 116' ' ' LEU . 6.4 p -138.44 168.26 20.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.731 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.16 162.1 13.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.027 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.451 ' CZ ' ' HB3' ' A' ' 153' ' ' GLU . 15.6 t80 -57.91 -48.78 78.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.923 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.25 -50.63 70.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.7 -178.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.651 HG22 HD11 ' A' ' 119' ' ' LEU . 69.2 m -63.54 -40.6 97.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.821 0.343 . . . . 0.0 110.531 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.573 HD21 ' SG ' ' A' ' 111' ' ' CYS . 13.6 mt -57.65 -46.81 83.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.185 179.449 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.76 -35.23 74.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.373 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 7.6 tt -67.44 -51.78 47.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.898 0.38 . . . . 0.0 110.786 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.664 HD22 ' CD2' ' A' ' 177' ' ' PHE . 13.8 mt -60.56 -35.44 76.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.549 179.689 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.41 ' O ' HG22 ' A' ' 123' ' ' THR . . . -71.31 -52.32 13.77 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.344 179.47 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.479 ' HA ' HG13 ' A' ' 158' ' ' VAL . 28.1 t -53.53 -34.41 58.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.704 0.287 . . . . 0.0 111.457 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.435 ' CE2' ' HB3' ' A' ' 176' ' ' GLU . 16.3 m-85 -74.5 -43.73 54.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.722 0.296 . . . . 0.0 110.814 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' THR . . . . . 0.41 HG22 ' O ' ' A' ' 120' ' ' GLY . 0.5 OUTLIER -60.82 -40.27 92.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.393 179.777 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.503 HG23 HD12 ' A' ' 128' ' ' LEU . 27.8 mm -64.02 -47.93 88.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.23 179.357 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 15.5 tp60 -58.21 -37.79 75.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.814 179.724 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 13.7 p -78.83 -26.54 44.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.311 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.85 -43.03 23.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.289 -179.245 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.503 HD12 HG23 ' A' ' 124' ' ' ILE . 1.2 mt -110.3 1.96 18.85 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.149 -178.467 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 0.255 0 C-N-CA 120.311 -0.947 . . . . 0.0 112.535 179.771 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 1.082 HG12 HD11 ' A' ' 146' ' ' LEU . 3.0 t . . . . . 0 CA--C 1.528 0.112 0 CA-C-O 120.757 0.313 . . . . 0.0 111.129 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 9.4 t -67.21 -13.96 62.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.394 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.41 -28.81 20.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.836 0.35 . . . . 0.0 110.814 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -80.58 145.37 31.78 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 145' ' ' LYS . . . . . 0.717 ' O ' HG11 ' A' ' 105' ' ' VAL . 0.1 OUTLIER -89.94 82.79 6.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.068 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 1.082 HD11 HG12 ' A' ' 141' ' ' VAL . 0.6 OUTLIER -89.93 -24.3 21.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.684 ' HB1' ' HD2' ' A' ' 148' ' ' PRO . . . -169.54 165.02 6.47 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.133 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 148' ' ' PRO . . . . . 0.684 ' HD2' ' HB1' ' A' ' 147' ' ' ALA . 56.8 Cg_endo -70.81 -44.41 1.38 Allowed 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.523 2.149 . . . . 0.0 112.283 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -108.33 68.75 0.7 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.827 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 150' ' ' GLN . . . . . 0.828 ' NE2' HD12 ' A' ' 146' ' ' LEU . 15.5 tt0 -75.48 119.9 20.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.983 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 59.7 p -113.66 164.15 14.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.745 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 2.7 pttm -49.34 -34.06 14.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.461 179.489 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 153' ' ' GLU . . . . . 0.451 ' HB3' ' CZ ' ' A' ' 113' ' ' PHE . 27.3 mm-40 -62.75 -55.99 21.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.543 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.945 ' O ' HG23 ' A' ' 158' ' ' VAL . 29.0 tp -59.21 -47.24 86.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.321 179.512 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -57.61 -53.89 53.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.731 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -57.18 -48.99 77.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 8.1 tptt -57.26 -33.97 68.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.279 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.945 HG23 ' O ' ' A' ' 154' ' ' LEU . 49.8 t -67.03 -46.63 84.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.924 0.392 . . . . 0.0 110.627 179.414 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 11.2 mtt -68.2 -42.43 79.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.836 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.29 -54.9 41.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.772 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 52.8 mt -57.62 -38.48 75.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.656 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -60.28 -56.61 19.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.882 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 18.0 mtpp -66.25 -33.2 75.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.077 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 10.9 p . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.441 -179.654 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 169' ' ' THR . . . . . 0.466 ' HB ' ' HD2' ' A' ' 170' ' ' PRO . 75.3 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.618 0.247 . . . . 0.0 110.623 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 170' ' ' PRO . . . . . 0.466 ' HD2' ' HB ' ' A' ' 169' ' ' THR . 6.5 Cg_endo -48.67 -52.04 9.28 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.742 2.295 . . . . 0.0 112.225 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -48.97 -44.32 40.82 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.339 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.97 -44.42 87.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.492 179.741 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -64.98 -45.99 83.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.56 179.428 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.83 -41.32 82.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.556 179.518 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 9.7 tp -72.34 -37.73 68.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.542 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 176' ' ' GLU . . . . . 0.435 ' HB3' ' CE2' ' A' ' 122' ' ' TYR . 10.3 mm-40 -57.56 -54.55 45.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.271 -0.422 . . . . 0.0 112.102 -178.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 177' ' ' PHE . . . . . 0.664 ' CD2' HD22 ' A' ' 119' ' ' LEU . 9.3 t80 -70.46 -43.56 69.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.142 -179.55 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 178' ' ' LEU . . . . . 0.569 HD11 ' HG2' ' A' ' 93' ' ' ARG . 87.1 mt -61.52 -40.99 96.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.776 0.322 . . . . 0.0 110.953 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -69.54 -32.81 71.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.755 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -72.9 -49.98 26.44 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.333 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -62.05 -37.62 85.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.855 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 19.4 ttpp -68.13 -37.92 81.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.898 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.67 -21.01 52.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.228 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.3 mt -89.49 -0.61 57.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.428 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 11.2 p 59.03 35.29 23.93 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.878 0.37 . . . . 0.0 110.95 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 35.2 mmm -67.37 -15.04 63.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.211 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 187' ' ' TYR . . . . . 0.6 ' CE1' HD11 ' A' ' 100' ' ' LEU . 5.4 m-85 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.918 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.402 ' HA ' HG22 ' A' ' 92' ' ' THR . 14.9 mt-10 . . . . . 0 N--CA 1.46 0.072 0 CA-C-O 120.924 0.392 . . . . 0.0 110.682 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.27 -47.61 48.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.853 179.28 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 46.4 mm -60.77 -46.59 95.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.25 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.451 HG23 ' N ' ' A' ' 93' ' ' ARG . 10.9 t -62.56 -49.89 73.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.318 -179.576 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.613 ' CG ' HD11 ' A' ' 178' ' ' LEU . 0.8 OUTLIER -54.16 -48.18 71.18 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 111.628 0.233 . . . . 0.0 111.628 -178.819 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -57.78 -54.1 50.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.93 0.395 . . . . 0.0 110.877 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -63.55 -28.39 69.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.281 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' A' ' 96' ' ' LEU . 5.8 tp -68.46 -55.41 11.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.903 0.382 . . . . 0.0 110.768 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 60.7 m -54.59 -43.17 71.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.829 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 85.8 mt -59.61 -45.16 92.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -66.36 -48.57 69.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.032 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.626 HD21 ' HB3' ' A' ' 186' ' ' MET . 1.6 mt -61.18 -43.13 99.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.763 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.474 ' O ' HG22 ' A' ' 105' ' ' VAL . 0.0 OUTLIER -66.98 -28.46 68.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.21 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -71.37 -41.92 69.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.231 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -70.42 -41.55 72.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.26 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.423 HD12 ' HA ' ' A' ' 101' ' ' ARG . 11.6 mt -62.89 -52.9 53.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.403 -179.68 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.474 HG22 ' O ' ' A' ' 101' ' ' ARG . 34.0 m -57.82 -32.46 43.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.66 -179.698 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -79.99 -2.01 42.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.608 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 68.26 37.81 86.92 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.541 -0.837 . . . . 0.0 112.166 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 8.2 ttt-85 -93.93 4.18 54.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.485 0.183 . . . . 0.0 111.457 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -153.68 109.03 2.54 Favored Pre-proline 0 C--N 1.332 -0.19 0 CA-C-O 120.592 0.234 . . . . 0.0 110.607 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -50.66 128.59 24.38 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.519 2.146 . . . . 0.0 112.56 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 72.0 m -143.64 168.29 20.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.676 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.95 160.22 14.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.036 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.415 ' CZ ' ' HA ' ' A' ' 154' ' ' LEU . 14.6 t80 -58.31 -46.6 85.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.805 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.52 -42.04 77.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.588 -179.272 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.524 HG22 ' CD1' ' A' ' 119' ' ' LEU . 96.5 m -71.55 -37.52 71.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.928 0.394 . . . . 0.0 110.335 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.422 ' HA ' HD23 ' A' ' 116' ' ' LEU . 15.8 mt -61.16 -44.78 96.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.179 179.482 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.468 ' HB2' HD12 ' A' ' 154' ' ' LEU . . . -73.91 -34.77 64.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.321 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 8.2 tt -68.76 -51.92 35.99 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.866 0.365 . . . . 0.0 110.757 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.766 HD22 ' CD2' ' A' ' 177' ' ' PHE . 50.2 mt -65.57 -34.47 78.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.235 179.531 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.422 ' CA ' HD22 ' A' ' 146' ' ' LEU . . . -71.28 -49.93 24.05 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.156 179.439 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 11.4 t -57.84 -34.26 69.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.731 0.301 . . . . 0.0 111.212 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.406 ' CE2' ' CD ' ' A' ' 176' ' ' GLU . 15.6 m-85 -72.7 -42.09 64.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.702 179.768 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 19.4 m -60.16 -42.13 94.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.277 179.415 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.497 HG23 HD12 ' A' ' 128' ' ' LEU . 17.2 mm -62.55 -45.53 98.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.156 179.271 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' GLN . . . . . 0.432 ' HA ' ' CE1' ' A' ' 162' ' ' HIS . 7.8 tm0? -57.88 -36.62 72.65 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.589 179.536 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 19.4 m -78.37 -25.47 46.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.905 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -81.4 -40.6 23.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.629 -179.077 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.566 HD11 ' CE2' ' A' ' 144' ' ' PHE . 1.9 mt -114.35 0.29 14.07 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -178.247 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 C-N-CA 120.482 -0.866 . . . . 0.0 112.693 179.866 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.723 ' CG1' HD11 ' A' ' 146' ' ' LEU . 6.0 t . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.867 0.365 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 31.8 t -63.75 -14.37 51.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.474 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.46 -25.84 17.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.794 0.331 . . . . 0.0 110.723 179.63 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 144' ' ' PHE . . . . . 0.566 ' CE2' HD11 ' A' ' 128' ' ' LEU . 90.0 m-85 -95.2 124.18 39.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.803 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 145' ' ' LYS . . . . . 0.439 ' O ' HG11 ' A' ' 105' ' ' VAL . 0.0 OUTLIER -81.34 91.87 6.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.178 -179.829 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.723 HD11 ' CG1' ' A' ' 141' ' ' VAL . 2.2 mt -89.43 -23.41 22.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.057 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.553 ' HB1' ' HD2' ' A' ' 148' ' ' PRO . . . -164.24 160.56 16.38 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.111 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 148' ' ' PRO . . . . . 0.553 ' HD2' ' HB1' ' A' ' 147' ' ' ALA . 37.3 Cg_endo -66.33 -49.5 1.84 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.565 2.177 . . . . 0.0 112.263 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -105.35 69.1 0.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.789 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 150' ' ' GLN . . . . . 0.431 ' HA ' HD23 ' A' ' 154' ' ' LEU . 9.6 tt0 -67.47 117.16 9.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.006 -179.779 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 3.3 p -104.21 149.2 25.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.691 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -44.88 -41.68 7.34 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.879 0.371 . . . . 0.0 110.427 179.575 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -60.55 -41.17 94.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.343 179.496 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.913 ' O ' HG23 ' A' ' 158' ' ' VAL . 52.7 tp -69.22 -47.72 64.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.019 179.232 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -56.38 -52.57 64.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.731 179.604 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -53.44 -52.48 59.3 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.409 ' O ' HD12 ' A' ' 161' ' ' LEU . 2.4 tptt -57.17 -29.31 63.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.969 -179.291 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.913 HG23 ' O ' ' A' ' 154' ' ' LEU . 49.1 t -67.02 -49.76 70.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.899 0.381 . . . . 0.0 110.434 179.228 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 159' ' ' MET . . . . . 0.407 ' HG3' HG21 ' A' ' 141' ' ' VAL . 11.3 mtt -68.34 -42.88 78.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.75 179.631 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -59.21 -51.28 70.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.774 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.409 HD12 ' O ' ' A' ' 157' ' ' LYS . 22.3 mt -59.83 -38.13 81.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.776 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 162' ' ' HIS . . . . . 0.432 ' CE1' ' HA ' ' A' ' 125' ' ' GLN . 3.2 t-160 -58.64 -56.63 19.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.82 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 12.6 tttp -65.13 -30.83 71.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 6.3 p . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.18 -179.978 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 27.2 p . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.701 0.286 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -57.96 -50.4 10.3 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.603 2.202 . . . . 0.0 111.999 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -49.8 -42.42 46.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.424 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.86 -42.86 85.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.668 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -68.78 -42.37 77.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.746 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.37 -42.68 96.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.233 0.54 . . . . 0.0 110.722 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 12.4 tp -72.67 -27.41 62.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.814 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 176' ' ' GLU . . . . . 0.497 ' HG3' ' N ' ' A' ' 177' ' ' PHE . 0.0 OUTLIER -70.14 -51.05 34.45 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -178.575 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 177' ' ' PHE . . . . . 0.766 ' CD2' HD22 ' A' ' 119' ' ' LEU . 7.2 t80 -72.09 -40.4 68.25 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.459 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 178' ' ' LEU . . . . . 0.613 HD11 ' CG ' ' A' ' 93' ' ' ARG . 35.7 mt -61.23 -41.14 96.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.307 179.503 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.05 -32.31 70.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.757 179.444 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 180' ' ' ASN . . . . . 0.801 ' O ' HD12 ' A' ' 184' ' ' LEU . 5.0 m-80 -70.88 -49.92 40.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.922 179.245 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 181' ' ' ALA . . . . . 0.43 ' HB1' ' HB2' ' A' ' 186' ' ' MET . . . -61.72 -37.59 84.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.749 179.539 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 182' ' ' LYS . . . . . 0.42 ' HB2' ' O ' ' A' ' 178' ' ' LEU . 0.0 OUTLIER -66.33 -35.89 81.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.37 179.529 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 10.0 ttmt -70.35 -19.16 63.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.045 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.801 HD12 ' O ' ' A' ' 180' ' ' ASN . 1.0 OUTLIER -106.66 9.47 31.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.822 -179.437 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 1.5 m 56.39 52.25 10.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.817 0.341 . . . . 0.0 111.263 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 186' ' ' MET . . . . . 0.626 ' HB3' HD21 ' A' ' 100' ' ' LEU . 61.4 mtp -99.65 27.32 5.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.782 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 187' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.281 -0.866 . . . . 0.0 110.868 -179.821 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.2 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.5 m 61.13 112.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.793 0.33 . . . . 0.0 110.928 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 -110.8 -40.87 4.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 75.4 mmm -76.11 147.15 38.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.849 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -147.91 107.87 3.72 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.984 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.71 -9.58 26.46 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.436 2.091 . . . . 0.0 112.531 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -94.99 -13.38 25.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.46 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -90.65 47.32 1.41 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.849 0.357 . . . . 0.0 110.948 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -94.39 -28.26 15.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.973 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -57.67 -51.39 69.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.128 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.416 ' HA ' HG22 ' A' ' 92' ' ' THR . 1.3 mt-10 -53.97 -29.93 44.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.873 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -72.55 -47.83 45.08 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 49.9 mm -59.03 -46.39 91.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.022 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.454 HG23 ' N ' ' A' ' 93' ' ' ARG . 8.3 t -64.52 -50.83 65.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.745 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.699 ' CG ' HD11 ' A' ' 178' ' ' LEU . 0.6 OUTLIER -54.5 -51.19 65.88 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.544 0.211 . . . . 0.0 111.344 -179.077 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -53.56 -55.24 27.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.845 0.355 . . . . 0.0 111.048 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.518 ' HA ' HD12 ' A' ' 98' ' ' LEU . 3.7 m-85 -59.63 -43.25 93.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.484 HD21 ' CE2' ' A' ' 187' ' ' TYR . 5.2 tp -51.63 -55.57 18.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.293 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 2.2 t -57.94 -41.23 82.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.923 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.518 HD12 ' HA ' ' A' ' 95' ' ' TYR . 34.7 mt -60.98 -48.89 79.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.012 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -66.72 -48.7 68.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.4 mt -57.43 -52.04 67.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.05 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.799 ' HA ' HD12 ' A' ' 104' ' ' ILE . 19.5 ttp-105 -63.25 -28.84 70.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.029 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -71.19 -39.35 71.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.851 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -69.38 -35.57 75.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.799 HD12 ' HA ' ' A' ' 101' ' ' ARG . 10.5 mt -67.73 -52.97 34.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.346 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 31.6 m -57.89 -32.37 43.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.643 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -85.91 -3.33 58.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.648 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 67.27 34.36 85.38 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.327 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -82.23 0.95 38.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.574 0.226 . . . . 0.0 111.417 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.467 HD23 ' N ' ' A' ' 110' ' ' PRO . 4.9 tt -151.31 132.72 7.78 Favored Pre-proline 0 C--N 1.331 -0.207 0 CA-C-O 120.557 0.218 . . . . 0.0 110.714 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.467 ' N ' HD23 ' A' ' 109' ' ' LEU . 44.0 Cg_endo -67.95 121.64 8.68 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.393 2.062 . . . . 0.0 112.244 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 58.8 m -138.63 168.28 20.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.677 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 72.9 m -102.74 163.36 12.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.07 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.403 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 18.2 t80 -55.92 -46.99 78.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.957 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.05 -48.25 76.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.686 -178.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.553 HG22 ' CD1' ' A' ' 119' ' ' LEU . 74.9 m -65.35 -39.98 93.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.842 0.353 . . . . 0.0 110.578 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 116' ' ' LEU . 14.6 mt -57.79 -47.16 83.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.048 0.452 . . . . 0.0 110.124 179.433 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.83 -35.1 72.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.657 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 7.7 tt -69.73 -52.28 26.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.795 0.331 . . . . 0.0 111.086 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.553 ' CD1' HG22 ' A' ' 115' ' ' THR . 43.7 mt -62.02 -34.95 77.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.042 0.448 . . . . 0.0 110.415 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.421 ' O ' HG12 ' A' ' 124' ' ' ILE . . . -71.17 -50.65 21.43 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.666 -0.778 . . . . 0.0 111.929 179.275 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 35.0 m -53.56 -34.61 58.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.655 0.264 . . . . 0.0 111.325 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.4 ' CE1' ' HG3' ' A' ' 176' ' ' GLU . 14.6 m-85 -73.8 -46.53 44.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.807 0.337 . . . . 0.0 110.834 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' THR . . . . . 0.5 HG21 ' HD3' ' A' ' 101' ' ' ARG . 83.3 m -61.28 -39.8 91.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.679 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.651 ' O ' HD12 ' A' ' 128' ' ' LEU . 29.3 mm -63.55 -50.84 76.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.694 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' GLN . . . . . 0.409 ' O ' ' CA ' ' A' ' 129' ' ' GLY . 0.0 OUTLIER -59.19 -35.23 73.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 12.8 t -78.83 -25.31 44.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.05 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.91 -41.96 22.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.056 -179.326 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.658 HD11 ' CE2' ' A' ' 144' ' ' PHE . 1.2 mp -110.01 -0.23 18.19 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.218 -178.416 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.409 ' CA ' ' O ' ' A' ' 125' ' ' GLN . . . 70.38 -157.67 53.54 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.515 -0.85 . . . . 0.0 112.384 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.21 152.74 19.92 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.845 0.355 . . . . 0.0 110.839 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' TYR . . . . . 0.411 ' CE2' ' HD2' ' A' ' 163' ' ' LYS . 34.6 t80 -74.44 159.0 32.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.958 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -144.67 90.65 6.36 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -59.54 -21.39 61.83 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.618 2.212 . . . . 0.0 112.432 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.2 -29.65 70.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.993 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 81.7 mt -96.83 -29.08 13.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.036 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 8.5 m170 61.99 176.87 0.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.828 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' GLY . . . . . 0.439 ' O ' ' HB ' ' A' ' 138' ' ' VAL . . . -179.33 -57.88 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.48 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.439 ' HB ' ' O ' ' A' ' 137' ' ' GLY . 38.9 t 67.12 -67.7 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.731 0.3 . . . . 0.0 111.081 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 137' ' ' GLY . 7.1 m-20 -97.18 30.17 2.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.177 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' TYR . . . . . 0.422 ' CZ ' ' HG2' ' A' ' 159' ' ' MET . 43.7 p90 -73.67 -30.81 63.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.878 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.944 ' CG1' HD11 ' A' ' 146' ' ' LEU . 21.0 t -61.96 -19.08 20.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.288 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.4 m -63.01 -14.28 45.9 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.649 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -83.92 -22.33 31.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.692 0.282 . . . . 0.0 111.183 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' PHE . . . . . 0.658 ' CE2' HD11 ' A' ' 128' ' ' LEU . 78.1 m-85 -114.12 119.77 38.26 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.949 0.405 . . . . 0.0 111.206 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 12.2 mtmt -75.52 102.42 5.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.104 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.944 HD11 ' CG1' ' A' ' 141' ' ' VAL . 0.6 OUTLIER -88.1 -19.26 27.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.297 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.712 ' HB1' ' HD2' ' A' ' 148' ' ' PRO . . . -175.17 165.78 2.07 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-O 120.766 0.317 . . . . 0.0 111.115 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 148' ' ' PRO . . . . . 0.712 ' HD2' ' HB1' ' A' ' 147' ' ' ALA . 58.7 Cg_endo -71.62 -42.36 1.82 Allowed 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.562 2.174 . . . . 0.0 112.324 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -106.57 70.86 0.84 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.807 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' GLN . . . . . 0.629 ' OE1' HD12 ' A' ' 146' ' ' LEU . 18.0 tt0 -80.8 120.92 25.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.033 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 2.9 p -120.0 167.95 11.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.845 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -48.17 -35.74 12.25 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.606 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' GLU . . . . . 0.403 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 0.3 OUTLIER -62.69 -58.72 6.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.657 179.85 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.932 ' O ' HG23 ' A' ' 158' ' ' VAL . 51.9 tp -59.41 -43.33 93.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.404 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -59.14 -54.03 51.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.57 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -52.97 -51.19 62.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.94 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 16.6 tptt -57.75 -31.24 66.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.15 -179.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.932 HG23 ' O ' ' A' ' 154' ' ' LEU . 63.1 t -67.01 -52.84 39.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.863 0.363 . . . . 0.0 110.927 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 159' ' ' MET . . . . . 0.422 ' HG2' ' CZ ' ' A' ' 140' ' ' TYR . 7.7 mtt -68.33 -39.75 81.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.17 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.93 -55.12 38.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.064 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 10.0 mt -59.47 -38.91 82.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.987 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -55.76 -54.87 39.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.979 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 163' ' ' LYS . . . . . 0.411 ' HD2' ' CE2' ' A' ' 131' ' ' TYR . 11.4 mtpp -74.47 -26.28 59.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.948 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 36.6 t -62.93 -24.92 68.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.284 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 165' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -77.22 124.59 28.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.924 0.392 . . . . 0.0 111.043 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 7.9 mtt-85 -65.61 -154.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.697 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 3.4 m -66.86 73.11 0.1 Allowed 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 120.93 0.395 . . . . 0.0 110.818 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 1.9 ttp -89.04 146.62 24.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.961 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 169' ' ' THR . . . . . 0.427 ' HB ' ' HD2' ' A' ' 170' ' ' PRO . 23.7 p -92.12 157.75 40.43 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.739 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 170' ' ' PRO . . . . . 0.427 ' HD2' ' HB ' ' A' ' 169' ' ' THR . 10.0 Cg_endo -53.28 -52.95 7.53 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.646 2.23 . . . . 0.0 111.944 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -50.97 -38.55 51.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.291 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.91 -44.72 86.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.581 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -65.91 -46.06 79.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.656 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -57.31 -42.62 82.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.178 0.513 . . . . 0.0 110.6 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 14.1 tp -72.39 -30.84 65.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.128 179.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 176' ' ' GLU . . . . . 0.4 ' HG3' ' CE1' ' A' ' 122' ' ' TYR . 8.0 mm-40 -61.27 -52.81 63.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.879 -179.158 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -71.6 -44.4 64.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.606 0.241 . . . . 0.0 110.828 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 178' ' ' LEU . . . . . 0.699 HD11 ' CG ' ' A' ' 93' ' ' ARG . 40.0 mt -61.01 -42.78 99.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.894 0.378 . . . . 0.0 110.573 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -68.04 -32.22 72.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.766 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.55 -49.52 32.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.24 179.478 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -61.69 -37.87 85.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.888 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 2.3 mtpm? -71.64 -32.4 67.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.766 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 14.9 mtmt -74.95 -21.35 59.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.052 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.409 HD23 ' N ' ' A' ' 184' ' ' LEU . 1.8 mt -95.91 -13.0 24.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.353 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 14.0 m 66.54 44.72 2.24 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.912 0.386 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 35.5 mtp -68.9 -32.46 72.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 187' ' ' TYR . . . . . 0.484 ' CE2' HD21 ' A' ' 96' ' ' LEU . 5.0 p90 . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.148 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -112.48 -35.28 5.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.849 0.357 . . . . 0.0 110.937 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 16.7 p80 -90.31 52.13 2.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.8 122.6 48.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.848 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.19 111.27 5.14 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.762 ' HA ' HD23 ' A' ' 87' ' ' LEU . 64.0 Cg_endo -73.32 -11.14 24.68 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.502 2.135 . . . . 0.0 112.585 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -77.33 -26.18 51.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.375 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -86.37 6.47 29.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.556 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.762 HD23 ' HA ' ' A' ' 84' ' ' PRO . 1.9 mm? -60.24 -52.89 63.36 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.875 0.369 . . . . 0.0 110.782 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.26 -48.36 73.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.796 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.41 ' O ' ' HB2' ' A' ' 93' ' ' ARG . 11.0 mt-10 -54.37 -30.03 50.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.904 0.383 . . . . 0.0 110.712 179.769 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -71.96 -47.68 50.47 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.892 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 47.2 mm -60.76 -46.38 96.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.324 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.456 HG23 ' N ' ' A' ' 93' ' ' ARG . 9.3 t -62.61 -50.26 71.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.243 -179.515 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.769 ' CG ' HD11 ' A' ' 178' ' ' LEU . 0.0 OUTLIER -54.39 -50.95 66.34 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.612 0.244 . . . . 0.0 111.566 -178.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -54.59 -52.41 62.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.939 0.4 . . . . 0.0 111.023 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -66.11 -28.39 68.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.284 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.434 HD21 ' CE2' ' A' ' 187' ' ' TYR . 6.0 tp -68.95 -55.26 11.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.892 0.377 . . . . 0.0 110.848 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 57.1 m -55.46 -44.38 76.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.868 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 78.7 mt -57.27 -49.91 74.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.015 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -63.05 -46.37 87.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.113 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.562 HD11 ' CD1' ' A' ' 187' ' ' TYR . 3.4 mt -60.58 -46.2 91.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.973 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.568 ' O ' HG13 ' A' ' 105' ' ' VAL . 0.0 OUTLIER -64.78 -28.29 69.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.205 -179.919 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.31 -41.33 70.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.159 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.91 -41.41 71.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.301 -179.607 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.435 HD12 ' HA ' ' A' ' 101' ' ' ARG . 12.0 mt -63.25 -49.97 80.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.391 -179.689 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.568 HG13 ' O ' ' A' ' 101' ' ' ARG . 34.0 m -60.6 -32.49 51.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.582 -179.693 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -80.91 -1.75 44.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.587 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 69.12 33.06 73.3 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.29 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 36.1 mtp85 -83.5 2.38 37.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.497 0.189 . . . . 0.0 111.447 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.643 HD23 ' HD2' ' A' ' 110' ' ' PRO . 0.3 OUTLIER -155.73 134.88 7.76 Favored Pre-proline 0 C--N 1.332 -0.194 0 CA-C-O 120.517 0.199 . . . . 0.0 110.637 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.643 ' HD2' HD23 ' A' ' 109' ' ' LEU . 56.0 Cg_endo -70.28 125.97 12.46 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.39 2.06 . . . . 0.0 112.406 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 13.4 m -139.49 168.27 20.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.698 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 21.0 t -102.37 162.26 13.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.1 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -56.76 -46.95 81.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.996 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.26 -48.58 76.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.647 -178.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.632 HG22 ' CD1' ' A' ' 119' ' ' LEU . 88.1 m -64.97 -40.22 94.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.806 0.336 . . . . 0.0 110.518 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 116' ' ' LEU . 28.1 mt -57.9 -46.81 84.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.121 179.472 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.5 -35.05 73.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.363 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 6.9 tt -68.15 -51.99 39.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.821 0.343 . . . . 0.0 110.934 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.632 ' CD1' HG22 ' A' ' 115' ' ' THR . 16.8 mt -61.57 -35.0 76.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.094 0.473 . . . . 0.0 110.467 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.422 ' CA ' HD22 ' A' ' 146' ' ' LEU . . . -71.26 -51.67 16.6 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.151 179.401 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 50.2 m -53.72 -35.34 61.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.645 0.26 . . . . 0.0 111.509 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.427 ' CE2' ' HB3' ' A' ' 176' ' ' GLU . 14.6 m-85 -73.85 -44.61 55.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.754 0.311 . . . . 0.0 110.874 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 90.0 m -59.63 -42.76 93.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.551 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.508 HG23 HD12 ' A' ' 128' ' ' LEU . 19.7 mm -62.55 -47.64 92.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.281 179.31 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -58.52 -37.82 76.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.776 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.65 -26.28 45.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.115 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.24 -41.32 25.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.353 -179.183 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.508 HD12 HG23 ' A' ' 124' ' ' ILE . 1.5 mt -112.22 1.19 16.07 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -178.382 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 80.75 -104.43 2.31 Favored Glycine 0 CA--C 1.517 0.212 0 C-N-CA 120.414 -0.898 . . . . 0.0 112.748 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.39 -179.01 3.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.869 0.366 . . . . 0.0 110.938 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' TYR . . . . . 0.437 ' CD2' ' HB2' ' A' ' 163' ' ' LYS . 1.2 t80 -99.08 126.18 44.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.969 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.639 ' HB3' HD23 ' A' ' 135' ' ' LEU . 67.3 m-20 -146.43 93.88 4.91 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -63.72 -33.44 65.99 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.702 2.268 . . . . 0.0 112.5 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -75.56 -29.64 59.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.205 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.639 HD23 ' HB3' ' A' ' 132' ' ' ASP . 3.9 mm? -82.35 -45.56 14.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.103 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -114.43 -80.24 0.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.967 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 169.53 -143.21 7.79 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.667 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.431 HG12 ' SD ' ' A' ' 159' ' ' MET . 17.0 t -139.83 -34.69 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.607 0.241 . . . . 0.0 111.64 -179.763 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -92.59 29.67 1.69 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.576 -0.283 . . . . 0.0 111.507 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -83.27 -10.78 58.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.628 0.252 . . . . 0.0 111.239 179.634 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.823 ' CG1' HD11 ' A' ' 146' ' ' LEU . 10.5 t -69.53 -23.41 26.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 120.787 0.327 . . . . 0.0 111.093 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 25.6 t -63.14 -14.22 46.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.517 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.94 -27.26 18.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.856 0.36 . . . . 0.0 110.777 179.651 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -90.59 126.91 36.1 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' LYS . . . . . 0.416 ' O ' HG11 ' A' ' 105' ' ' VAL . 0.1 OUTLIER -82.5 91.87 6.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.049 -179.91 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.823 HD11 ' CG1' ' A' ' 141' ' ' VAL . 1.4 mt -88.28 -21.82 24.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.239 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.67 ' HB1' ' HD2' ' A' ' 148' ' ' PRO . . . -165.28 165.12 11.95 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.044 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 148' ' ' PRO . . . . . 0.67 ' HD2' ' HB1' ' A' ' 147' ' ' ALA . 49.8 Cg_endo -69.14 -46.71 1.36 Allowed 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.454 2.102 . . . . 0.0 112.282 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -107.75 65.89 0.65 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.803 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -65.32 116.6 6.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.97 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 3.0 t -112.46 158.29 20.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.896 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 17.1 mttm -44.75 -42.16 7.48 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.405 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -57.8 -47.08 83.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.73 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.934 ' O ' HG23 ' A' ' 158' ' ' VAL . 42.6 tp -65.82 -42.34 90.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.351 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -59.64 -53.9 52.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.663 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -54.94 -51.31 66.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.025 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.5 -30.97 65.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.171 -179.139 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.934 HG23 ' O ' ' A' ' 154' ' ' LEU . 89.7 t -67.04 -49.88 69.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.881 0.372 . . . . 0.0 110.587 179.406 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 159' ' ' MET . . . . . 0.431 ' SD ' HG12 ' A' ' 138' ' ' VAL . 10.0 mtt -68.45 -41.39 80.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.069 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -61.72 -55.2 32.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.099 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 61.4 mt -57.03 -41.55 78.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.974 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -57.57 -56.83 16.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.02 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 163' ' ' LYS . . . . . 0.437 ' HB2' ' CD2' ' A' ' 131' ' ' TYR . 8.1 tttm -67.52 -30.17 69.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.05 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 41.6 p -66.28 -21.71 66.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.318 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 165' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -73.97 126.05 29.6 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.938 0.399 . . . . 0.0 111.055 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -64.8 -159.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.749 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 19.5 m -66.8 72.88 0.09 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.965 0.412 . . . . 0.0 110.917 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 3.3 tpp -87.35 147.58 25.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.012 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.41 164.61 19.53 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.73 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -56.49 -50.77 10.87 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.439 2.093 . . . . 0.0 111.79 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -55.95 -38.18 69.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.217 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -57.81 -42.94 85.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.603 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -68.7 -45.05 72.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.591 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -57.47 -41.11 79.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.56 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 13.8 tp -72.47 -32.36 66.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.264 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 176' ' ' GLU . . . . . 0.427 ' HB3' ' CE2' ' A' ' 122' ' ' TYR . 8.6 mm-40 -61.16 -54.54 43.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.944 -179.077 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 177' ' ' PHE . . . . . 0.412 ' CD2' HD22 ' A' ' 119' ' ' LEU . 10.3 t80 -70.95 -40.09 72.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.639 0.257 . . . . 0.0 110.665 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 178' ' ' LEU . . . . . 0.769 HD11 ' CG ' ' A' ' 93' ' ' ARG . 21.4 mt -62.82 -42.73 99.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.796 0.332 . . . . 0.0 110.584 179.744 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -67.73 -32.6 73.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.726 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -72.68 -49.5 31.08 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.319 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -62.37 -37.96 87.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.153 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 182' ' ' LYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 178' ' ' LEU . 2.0 ttmm -70.21 -35.14 73.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.861 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 3.8 mtmm -74.11 -20.48 60.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.047 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.8 mt -94.5 -10.19 33.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.314 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 28.9 t 61.85 79.33 0.26 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.81 0.338 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 186' ' ' MET . . . . . 0.556 ' HB2' HD21 ' A' ' 100' ' ' LEU . 24.2 mtp -113.91 -36.26 4.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 187' ' ' TYR . . . . . 0.562 ' CD1' HD11 ' A' ' 100' ' ' LEU . 9.8 p90 . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.203 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 69.74 -64.92 0.33 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.81 0.338 . . . . 0.0 111.065 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -91.64 45.75 1.25 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.082 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 7.1 tpt -177.06 129.45 0.17 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.908 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -117.89 100.7 52.2 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.815 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -77.17 -23.68 10.17 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.517 2.144 . . . . 0.0 112.63 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -93.81 -34.69 13.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.158 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 58.06 67.07 1.0 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.766 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.592 HD23 ' H ' ' A' ' 87' ' ' LEU . 1.0 OUTLIER -87.98 10.51 18.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.641 -179.813 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 37.3 p -55.66 -49.49 72.76 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.74 0.305 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.549 ' HA ' HG22 ' A' ' 92' ' ' THR . 6.3 tp10 -55.57 -31.02 61.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.009 0.433 . . . . 0.0 110.588 179.68 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -71.98 -47.84 49.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.527 179.05 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 40.2 mm -62.98 -47.11 94.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.149 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.549 HG22 ' HA ' ' A' ' 89' ' ' GLU . 11.1 t -62.5 -51.12 68.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 -179.561 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.479 ' N ' HG23 ' A' ' 92' ' ' THR . 14.1 ttp-105 -54.51 -44.52 72.8 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.601 0.239 . . . . 0.0 111.607 -179.011 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -59.0 -53.15 61.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.927 0.394 . . . . 0.0 110.688 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -65.32 -28.31 69.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.12 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.9 tp -68.07 -55.24 13.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.762 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.37 -41.54 76.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.745 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 85.1 mt -60.89 -41.94 97.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.836 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -68.6 -48.05 65.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.96 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.407 HD11 ' CZ ' ' A' ' 187' ' ' TYR . 2.3 mt -61.7 -44.93 95.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.738 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.615 ' O ' HG22 ' A' ' 105' ' ' VAL . 2.6 tmm_? -66.94 -28.61 68.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.141 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -71.32 -39.0 71.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.966 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -70.95 -39.35 72.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.107 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.614 HD12 ' HA ' ' A' ' 101' ' ' ARG . 9.3 mt -65.24 -53.1 44.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.392 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.615 HG22 ' O ' ' A' ' 101' ' ' ARG . 23.6 m -60.52 -32.32 51.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.56 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.02 -3.42 42.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.64 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 68.81 32.88 74.4 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.37 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.7 mtp180 -92.47 4.35 53.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.571 0.224 . . . . 0.0 111.386 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -153.67 113.83 2.6 Favored Pre-proline 0 C--N 1.332 -0.174 0 CA-C-O 120.565 0.222 . . . . 0.0 110.712 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -53.16 130.17 36.89 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.484 2.123 . . . . 0.0 112.425 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 39.2 m -143.32 168.25 20.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.727 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.53 164.62 11.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.071 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -59.32 -49.58 77.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.878 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.12 -46.05 79.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.579 -179.098 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.623 HG22 ' CD1' ' A' ' 119' ' ' LEU . 98.2 m -67.42 -38.98 85.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.88 0.371 . . . . 0.0 110.332 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 22.4 mt -58.98 -46.12 88.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.157 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.472 ' HB1' ' HB3' ' A' ' 157' ' ' LYS . . . -71.8 -34.78 69.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.446 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 8.2 tt -68.64 -51.9 37.09 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.875 0.369 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.623 ' CD1' HG22 ' A' ' 115' ' ' THR . 19.7 mt -62.58 -34.46 77.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.307 179.566 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.424 ' O ' HG12 ' A' ' 124' ' ' ILE . . . -71.51 -52.34 13.18 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.03 179.332 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.469 ' OG ' HD12 ' A' ' 161' ' ' LEU . 49.6 m -53.67 -34.48 58.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.624 0.25 . . . . 0.0 111.425 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.422 ' CE2' ' HB3' ' A' ' 176' ' ' GLU . 17.1 m-85 -73.5 -47.18 43.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.795 0.331 . . . . 0.0 110.86 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 77.0 m -59.96 -39.91 87.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.736 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.592 ' O ' HD12 ' A' ' 128' ' ' LEU . 29.2 mm -63.85 -49.53 81.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.521 179.557 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' GLN . . . . . 0.405 ' HA ' ' CE1' ' A' ' 162' ' ' HIS . 2.1 tp60 -58.43 -37.48 75.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.656 179.709 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 10.7 p -78.84 -25.83 44.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.082 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.3 -38.73 30.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.296 -179.088 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.592 HD12 ' O ' ' A' ' 124' ' ' ILE . 1.3 mp -115.22 0.49 13.55 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.011 -0.54 . . . . 0.0 112.374 -178.089 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 61.15 -144.51 48.65 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.37 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.43 147.43 0.57 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.861 0.362 . . . . 0.0 111.336 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' TYR . . . . . 0.407 ' CD2' ' HG3' ' A' ' 163' ' ' LYS . 46.7 t80 -57.58 151.95 15.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.044 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -135.11 90.48 21.28 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.812 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' PRO . . . . . 0.403 ' HG3' ' CE2' ' A' ' 131' ' ' TYR . 22.3 Cg_exo -64.67 -66.01 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.669 2.246 . . . . 0.0 112.266 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.72 -30.07 21.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.04 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.415 ' HA ' HD13 ' A' ' 135' ' ' LEU . 4.3 mm? -57.09 -31.22 65.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.944 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 22.8 m80 -118.91 -77.39 0.57 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.788 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 147.81 -133.83 4.84 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.438 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 6.9 m -122.69 -33.86 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.734 0.302 . . . . 0.0 111.32 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -96.41 32.86 1.9 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.087 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' TYR . . . . . 0.409 ' CZ ' ' HG2' ' A' ' 159' ' ' MET . 48.6 p90 -76.87 -34.08 57.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.807 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.877 ' CG1' HD11 ' A' ' 146' ' ' LEU . 23.7 t -64.42 -21.99 30.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.082 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 16.8 t -63.12 -14.26 46.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.667 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -87.29 -27.8 22.68 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.766 0.317 . . . . 0.0 110.872 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' PHE . . . . . 0.405 ' CE1' HD11 ' A' ' 128' ' ' LEU . 87.3 m-85 -96.99 122.7 40.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 145' ' ' LYS . . . . . 0.502 ' O ' HG11 ' A' ' 105' ' ' VAL . 8.2 mttt -76.32 96.5 3.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.05 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.997 HD13 HG21 ' A' ' 158' ' ' VAL . 5.7 mt -85.09 -22.48 28.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.193 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.699 ' HB1' ' HD2' ' A' ' 148' ' ' PRO . . . -170.73 165.45 5.08 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.181 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 148' ' ' PRO . . . . . 0.699 ' HD2' ' HB1' ' A' ' 147' ' ' ALA . 48.0 Cg_endo -68.56 -38.39 11.06 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.565 2.177 . . . . 0.0 112.215 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -115.39 65.84 0.69 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.772 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -68.83 119.87 13.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 7.3 t -115.02 161.31 18.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.906 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -45.07 -43.59 9.61 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.298 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -56.49 -47.63 78.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.751 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.933 ' O ' HG23 ' A' ' 158' ' ' VAL . 48.2 tp -66.85 -39.13 87.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.362 179.655 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -60.83 -53.98 50.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.65 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -54.59 -50.93 66.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.064 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.472 ' HB3' ' HB1' ' A' ' 117' ' ' ALA . 12.2 tptt -57.59 -33.11 67.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.37 -179.037 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.997 HG21 HD13 ' A' ' 146' ' ' LEU . 98.8 t -67.05 -51.55 53.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.798 0.332 . . . . 0.0 110.975 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 159' ' ' MET . . . . . 0.409 ' HG2' ' CZ ' ' A' ' 140' ' ' TYR . 9.3 mtt -68.25 -42.25 79.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.267 -179.762 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -62.38 -49.05 77.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.107 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.469 HD12 ' OG ' ' A' ' 121' ' ' SER . 63.9 mt -61.41 -42.19 98.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.012 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 162' ' ' HIS . . . . . 0.405 ' CE1' ' HA ' ' A' ' 125' ' ' GLN . 8.0 t-160 -57.61 -56.71 18.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.063 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 163' ' ' LYS . . . . . 0.407 ' HG3' ' CD2' ' A' ' 131' ' ' TYR . 9.5 tttt -69.13 -29.59 67.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.006 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 41.7 t -68.16 -23.84 64.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.207 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 165' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -72.37 127.87 33.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.837 0.351 . . . . 0.0 111.051 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 166' ' ' ARG . . . . . 0.404 ' HB3' ' NH1' ' A' ' 166' ' ' ARG . 9.6 mtp-105 -65.47 -161.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.863 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 29.0 m -67.31 72.87 0.12 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.942 0.401 . . . . 0.0 110.918 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 56.4 ttm -86.93 149.94 24.44 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.801 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -97.44 163.46 19.71 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.758 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -55.31 -51.62 9.63 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.508 2.139 . . . . 0.0 111.718 179.684 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -53.66 -40.29 65.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.307 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -57.84 -45.62 85.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.621 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -65.32 -44.08 88.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.503 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -58.13 -40.47 81.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.48 179.468 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 175' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 175' ' ' LEU . 9.2 tp -72.47 -33.34 66.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.381 179.52 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 176' ' ' GLU . . . . . 0.422 ' HB3' ' CE2' ' A' ' 122' ' ' TYR . 8.6 mm-40 -61.07 -54.58 42.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 112.019 -179.011 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -70.44 -44.3 68.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.648 0.261 . . . . 0.0 110.784 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 178' ' ' LEU . . . . . 0.424 HD11 ' HG3' ' A' ' 93' ' ' ARG . 36.8 mt -60.46 -41.38 94.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.893 0.378 . . . . 0.0 110.567 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -68.17 -32.56 72.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.698 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -73.31 -49.61 26.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.458 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -61.09 -37.72 83.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.047 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 182' ' ' LYS . . . . . 0.437 ' HG3' ' CE1' ' A' ' 187' ' ' TYR . 26.7 mttt -74.04 -31.04 62.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.038 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 8.1 ttpt -77.47 -22.82 50.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.134 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.5 mt -87.96 -10.2 51.21 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.287 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.2 34.05 11.24 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.815 0.34 . . . . 0.0 110.83 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 19.5 ptm -101.83 27.57 6.38 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 187' ' ' TYR . . . . . 0.437 ' CE1' ' HG3' ' A' ' 182' ' ' LYS . 2.7 m-85 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.229 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -152.94 114.55 4.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.794 0.33 . . . . 0.0 110.922 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -78.96 -58.93 2.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 3.9 mtp -64.01 161.96 14.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.8 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -72.56 131.06 84.9 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.841 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -73.31 -26.42 14.53 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.46 2.107 . . . . 0.0 112.32 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -96.92 -27.57 14.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.204 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 61.24 42.65 11.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.929 0.395 . . . . 0.0 110.67 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 39.0 mt -60.62 -61.75 2.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.205 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 30.4 p -57.54 -49.56 75.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.288 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.553 ' HA ' HG22 ' A' ' 92' ' ' THR . 2.8 mt-10 -56.03 -30.32 61.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.927 0.394 . . . . 0.0 110.662 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -70.49 -47.72 59.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.63 179.153 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 39.5 mm -63.29 -48.6 86.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.235 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.553 HG22 ' HA ' ' A' ' 89' ' ' GLU . 11.6 t -60.48 -50.89 71.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.205 -179.503 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.7 ' HG3' HD11 ' A' ' 178' ' ' LEU . 37.3 ttp180 -54.71 -46.31 74.17 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.646 0.26 . . . . 0.0 111.624 -179.06 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -56.98 -52.33 65.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.934 0.397 . . . . 0.0 110.901 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -67.21 -28.42 68.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.192 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.1 tp -68.08 -55.23 13.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.817 0.342 . . . . 0.0 110.791 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 4.9 t -58.12 -41.34 83.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.841 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 98' ' ' LEU . 19.7 mt -58.81 -46.38 87.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -66.31 -43.21 86.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.944 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.442 HD11 ' CE1' ' A' ' 187' ' ' TYR . 7.3 mt -64.1 -42.53 96.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.793 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.519 ' HA ' HD12 ' A' ' 104' ' ' ILE . 0.0 OUTLIER -68.14 -28.52 67.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.095 179.908 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -71.39 -40.27 70.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.95 0.405 . . . . 0.0 110.851 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -71.05 -37.12 72.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.306 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.519 HD12 ' HA ' ' A' ' 101' ' ' ARG . 10.7 mt -68.14 -52.54 37.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.461 -179.615 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.505 HG22 ' O ' ' A' ' 101' ' ' ARG . 31.2 m -60.02 -32.07 49.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.488 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -79.01 -2.97 42.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.54 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 71.26 25.71 74.96 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.506 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 2.2 tpt85 -83.81 1.6 42.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.548 0.213 . . . . 0.0 111.393 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.407 HD22 ' SD ' ' A' ' 186' ' ' MET . 0.7 OUTLIER -151.74 132.91 7.75 Favored Pre-proline 0 C--N 1.332 -0.171 0 CA-C-O 120.563 0.22 . . . . 0.0 110.675 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.43 127.9 13.86 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.426 2.084 . . . . 0.0 112.379 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 12.8 m -140.17 168.36 19.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.707 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.5 p -102.08 165.45 11.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.092 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.449 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 18.1 t80 -59.84 -51.57 69.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.844 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.27 -45.17 80.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.573 -179.046 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.593 HG22 HD11 ' A' ' 119' ' ' LEU . 88.7 m -67.21 -39.81 86.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.831 0.348 . . . . 0.0 110.379 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 116' ' ' LEU . 17.1 mt -58.35 -47.65 83.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.102 179.403 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.69 -35.17 74.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.371 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.422 ' HG ' ' CE2' ' A' ' 122' ' ' TYR . 7.3 tt -67.49 -51.89 45.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.827 0.346 . . . . 0.0 110.782 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.593 HD11 HG22 ' A' ' 115' ' ' THR . 15.4 mt -61.19 -33.83 74.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.307 179.531 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.429 ' O ' HG12 ' A' ' 124' ' ' ILE . . . -71.32 -51.9 15.45 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.125 179.356 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 19.7 p -53.54 -35.23 60.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.573 0.225 . . . . 0.0 111.499 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.44 ' CE2' ' HB3' ' A' ' 176' ' ' GLU . 19.1 m-85 -74.19 -43.13 58.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.721 0.296 . . . . 0.0 110.676 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 64.6 m -63.28 -40.14 96.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.501 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.569 HG23 ' CD1' ' A' ' 128' ' ' LEU . 27.2 mm -62.95 -49.73 82.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.386 179.492 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -57.93 -36.82 73.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.826 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.59 -23.42 46.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.07 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -82.28 -43.94 16.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.151 -179.305 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.569 ' CD1' HG23 ' A' ' 124' ' ' ILE . 1.4 mp -110.38 1.22 18.28 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.359 -178.166 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 81.41 -110.45 3.16 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.438 -0.887 . . . . 0.0 112.766 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -102.44 168.33 9.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.88 0.371 . . . . 0.0 110.964 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' TYR . . . . . 0.433 ' CD2' ' HG3' ' A' ' 163' ' ' LYS . 77.7 t80 -75.21 126.66 31.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.829 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -132.52 94.63 21.99 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' PRO . . . . . 0.421 ' HD3' ' CD2' ' A' ' 131' ' ' TYR . 59.6 Cg_endo -72.24 -31.01 12.33 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.514 2.143 . . . . 0.0 112.323 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -66.67 -31.6 72.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 35.5 mt -97.81 -42.98 7.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 50.2 m80 -93.27 173.94 7.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.83 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -119.71 -132.39 4.38 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.568 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 14.7 m -113.13 -30.16 2.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.814 0.34 . . . . 0.0 111.278 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.12 30.8 3.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.974 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' TYR . . . . . 0.427 ' CZ ' ' HG2' ' A' ' 159' ' ' MET . 52.6 p90 -76.14 -30.72 58.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.828 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.972 HG12 HD11 ' A' ' 146' ' ' LEU . 13.9 t -74.02 -21.17 17.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.969 179.698 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 21.6 p -64.86 -14.08 58.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.551 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.85 -27.88 28.4 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.813 0.34 . . . . 0.0 110.866 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -96.57 130.53 43.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.956 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' LYS . . . . . 0.501 ' O ' HG11 ' A' ' 105' ' ' VAL . 3.5 mtmp? -77.25 93.24 3.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.984 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.972 HD11 HG12 ' A' ' 141' ' ' VAL . 0.8 OUTLIER -82.59 -24.11 34.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.101 -179.904 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.74 ' HB1' ' HD2' ' A' ' 148' ' ' PRO . . . -174.4 166.55 2.34 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.06 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 148' ' ' PRO . . . . . 0.74 ' HD2' ' HB1' ' A' ' 147' ' ' ALA . 50.4 Cg_endo -69.0 -40.06 7.06 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.515 2.143 . . . . 0.0 112.312 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -112.93 66.94 0.65 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' GLN . . . . . 0.817 ' NE2' HD12 ' A' ' 146' ' ' LEU . 13.7 tt0 -72.91 120.13 18.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.943 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 1.2 t -115.64 160.96 19.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.01 -43.52 9.27 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.265 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 153' ' ' GLU . . . . . 0.449 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 2.4 mt-10 -56.73 -50.63 71.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.762 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.927 ' O ' HG23 ' A' ' 158' ' ' VAL . 54.9 tp -64.46 -39.56 94.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.475 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -60.46 -54.09 49.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.682 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -55.01 -49.57 71.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.55 -33.06 67.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.2 -179.313 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.927 HG23 ' O ' ' A' ' 154' ' ' LEU . 84.9 t -67.05 -48.88 77.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.873 0.368 . . . . 0.0 110.717 179.549 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 159' ' ' MET . . . . . 0.427 ' HG2' ' CZ ' ' A' ' 140' ' ' TYR . 10.2 mtt -68.46 -40.05 81.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.06 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.56 -52.09 67.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 12.0 mt -63.15 -36.23 82.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.721 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 14.0 t-160 -61.39 -56.56 18.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.706 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 163' ' ' LYS . . . . . 0.433 ' HG3' ' CD2' ' A' ' 131' ' ' TYR . 4.8 tttp -67.12 -29.38 69.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.682 179.74 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.61 -25.05 24.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.133 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 165' ' ' TYR . . . . . 0.412 ' CD1' ' HE2' ' A' ' 168' ' ' MET . 18.9 m-85 -95.75 133.27 40.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.647 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 26.3 mtp180 -134.23 -3.33 2.76 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 1.6 m -139.28 5.2 2.26 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 168' ' ' MET . . . . . 0.412 ' HE2' ' CD1' ' A' ' 165' ' ' TYR . 6.9 tpp -68.57 136.5 53.16 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.884 0.373 . . . . 0.0 111.11 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 169' ' ' THR . . . . . 0.404 ' HB ' ' HD2' ' A' ' 170' ' ' PRO . 5.9 p -92.9 159.88 35.02 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.624 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 170' ' ' PRO . . . . . 0.404 ' HD2' ' HB ' ' A' ' 169' ' ' THR . 9.2 Cg_endo -52.5 -53.46 6.84 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.392 2.062 . . . . 0.0 111.695 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -53.12 -39.8 63.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.437 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -57.77 -43.68 85.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.652 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -66.37 -43.03 87.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.53 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.05 -42.25 94.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.512 179.478 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 12.6 tp -72.48 -32.28 66.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.033 179.325 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 176' ' ' GLU . . . . . 0.44 ' HB3' ' CE2' ' A' ' 122' ' ' TYR . 7.5 mm-40 -60.44 -54.39 46.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.785 -179.176 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 177' ' ' PHE . . . . . 0.467 ' CD2' HD22 ' A' ' 119' ' ' LEU . 16.6 t80 -68.62 -46.56 68.91 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 121.126 -0.23 . . . . 0.0 110.711 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 178' ' ' LEU . . . . . 0.7 HD11 ' HG3' ' A' ' 93' ' ' ARG . 19.6 mt -59.27 -38.8 81.02 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.9 0.381 . . . . 0.0 110.438 179.745 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -67.7 -34.42 76.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.844 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -73.75 -49.52 25.1 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.504 179.558 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -61.42 -38.07 85.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.641 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 17.2 mtmt -69.6 -35.38 75.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.784 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 4.6 ttmm -77.51 -22.3 51.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.08 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.5 mt -92.36 -3.93 54.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.396 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 2.1 m 62.16 42.87 9.17 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.856 0.36 . . . . 0.0 110.934 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 186' ' ' MET . . . . . 0.407 ' SD ' HD22 ' A' ' 109' ' ' LEU . 33.4 mmm -75.7 -14.32 60.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.179 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 187' ' ' TYR . . . . . 0.442 ' CE1' HD11 ' A' ' 100' ' ' LEU . 8.9 m-85 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.876 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.211 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 45.4 m -141.94 -48.41 0.37 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.789 0.328 . . . . 0.0 110.952 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 23.5 t-160 -76.2 82.08 3.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -168.81 -175.53 2.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.15 145.3 30.41 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.64 -3.73 14.28 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.56 2.173 . . . . 0.0 112.728 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -109.54 30.65 6.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.819 0.342 . . . . 0.0 111.133 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -70.71 -21.71 62.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.168 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.5 HD23 ' H ' ' A' ' 87' ' ' LEU . 0.9 OUTLIER -66.15 -18.2 65.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.362 -179.898 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 3.4 m -57.43 -51.3 69.96 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.78 0.324 . . . . 0.0 111.129 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.515 ' HA ' HG22 ' A' ' 92' ' ' THR . 13.3 tt0 -57.39 -34.36 68.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.986 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -71.42 -48.58 48.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.349 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 15.6 mt -67.64 -46.35 83.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.266 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.515 HG22 ' HA ' ' A' ' 89' ' ' GLU . 12.0 t -56.09 -52.49 64.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.546 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.486 ' N ' HG23 ' A' ' 92' ' ' THR . 2.9 tmt_? -55.0 -46.47 75.18 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 120.689 0.28 . . . . 0.0 110.804 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -53.17 -56.68 14.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.984 0.421 . . . . 0.0 110.593 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -63.81 -28.26 69.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.825 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 96' ' ' LEU . 6.1 tp -66.25 -55.3 16.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.925 0.393 . . . . 0.0 110.547 179.649 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.3 t -55.75 -40.36 72.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.636 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 70.8 mt -59.53 -43.72 93.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.734 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -67.58 -47.53 69.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.9 mt -60.26 -45.78 92.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.698 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.647 ' O ' HG22 ' A' ' 105' ' ' VAL . 52.2 ttp180 -66.29 -28.73 68.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.091 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -71.22 -40.9 70.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.018 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.83 -42.32 70.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.108 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.473 HD12 ' HA ' ' A' ' 101' ' ' ARG . 9.3 mt -62.46 -53.35 48.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.339 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.647 HG22 ' O ' ' A' ' 101' ' ' ARG . 29.3 m -59.43 -32.41 48.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.427 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -79.78 -2.58 43.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.545 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 68.2 34.9 81.92 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.353 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.63 4.04 52.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.552 0.215 . . . . 0.0 111.385 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.565 HD13 ' HB2' ' A' ' 186' ' ' MET . 0.6 OUTLIER -158.1 115.33 1.79 Allowed Pre-proline 0 C--N 1.332 -0.193 0 CA-C-N 116.709 -0.223 . . . . 0.0 110.661 179.892 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -50.43 125.58 15.66 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.435 2.09 . . . . 0.0 112.53 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -139.74 136.86 34.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.717 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.59 160.12 33.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.047 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -57.34 -48.4 79.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.857 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.28 -40.82 74.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.62 -179.163 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 74.0 m -71.35 -39.27 71.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.825 0.345 . . . . 0.0 110.374 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 21.1 mt -59.58 -46.72 88.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.174 179.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -71.88 -35.26 69.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.412 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 7.3 tt -67.36 -51.72 48.8 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.895 0.378 . . . . 0.0 110.73 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.735 HD22 ' CD2' ' A' ' 177' ' ' PHE . 67.4 mt -62.96 -34.35 77.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.357 179.645 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.426 ' O ' HG12 ' A' ' 124' ' ' ILE . . . -71.33 -52.47 13.09 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.075 179.387 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 36.2 t -54.17 -34.11 59.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.688 0.28 . . . . 0.0 111.231 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -71.71 -46.9 57.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.766 0.317 . . . . 0.0 110.616 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 11.3 m -59.79 -37.9 80.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.637 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.581 HG23 ' CD1' ' A' ' 128' ' ' LEU . 29.4 mm -63.23 -49.83 81.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.346 179.479 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' GLN . . . . . 0.431 ' HA ' ' CE1' ' A' ' 162' ' ' HIS . 4.7 tp60 -57.01 -38.35 72.98 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.718 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 41.3 t -78.77 -23.63 45.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.264 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.69 -43.05 19.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.979 0.419 . . . . 0.0 111.183 -179.147 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.581 ' CD1' HG23 ' A' ' 124' ' ' ILE . 1.3 mp -111.49 1.01 16.7 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.293 -178.2 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 79.95 -101.97 1.99 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.376 -0.916 . . . . 0.0 112.554 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -123.13 167.65 13.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.823 0.344 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' TYR . . . . . 0.406 ' CE1' ' HD2' ' A' ' 163' ' ' LYS . 42.7 t80 -62.53 141.52 58.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -132.62 90.46 32.93 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -59.91 -28.77 87.9 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.625 2.217 . . . . 0.0 112.282 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.36 -31.61 72.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.955 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 59.5 mt -85.42 -42.02 14.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 20.0 m170 60.26 176.0 0.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.842 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' GLY . . . . . 0.464 ' O ' ' HB ' ' A' ' 138' ' ' VAL . . . 158.94 -45.46 0.45 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.575 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.464 ' HB ' ' O ' ' A' ' 137' ' ' GLY . 40.7 t 68.38 -65.82 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.78 0.324 . . . . 0.0 110.987 -179.743 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -93.87 40.91 1.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.122 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 33.4 p90 -75.59 -31.69 60.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.883 0.373 . . . . 0.0 110.765 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.904 ' CG1' HD11 ' A' ' 146' ' ' LEU . 12.1 t -62.9 -18.18 20.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.025 179.609 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 20.2 p -62.44 -14.11 37.19 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.652 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.29 -26.65 19.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.771 0.32 . . . . 0.0 110.926 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 144' ' ' PHE . . . . . 0.497 ' CZ ' HD11 ' A' ' 128' ' ' LEU . 82.9 m-85 -94.14 123.53 37.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.018 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 145' ' ' LYS . . . . . 0.452 ' O ' HG11 ' A' ' 105' ' ' VAL . 0.0 OUTLIER -78.36 93.0 4.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.072 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.904 HD11 ' CG1' ' A' ' 141' ' ' VAL . 6.9 mt -86.67 -24.11 25.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.156 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.699 ' HB1' ' HD2' ' A' ' 148' ' ' PRO . . . -169.23 165.36 6.62 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.147 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 148' ' ' PRO . . . . . 0.699 ' HD2' ' HB1' ' A' ' 147' ' ' ALA . 59.2 Cg_endo -72.02 -30.55 13.5 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.583 2.189 . . . . 0.0 112.351 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -121.95 63.91 0.92 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' GLN . . . . . 0.467 ' NE2' HD12 ' A' ' 146' ' ' LEU . 13.6 tt0 -69.45 117.92 11.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 7.6 t -113.36 163.59 14.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.18 -43.68 10.26 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.317 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -54.27 48.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.846 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.937 ' O ' HG23 ' A' ' 158' ' ' VAL . 42.6 tp -61.55 -40.73 95.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.524 179.745 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.65 -53.93 52.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.737 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -55.66 -49.21 73.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.073 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.52 -34.13 68.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.514 -178.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.937 HG23 ' O ' ' A' ' 154' ' ' LEU . 49.8 t -67.01 -51.03 58.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.882 0.372 . . . . 0.0 111.062 179.755 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 14.2 mtm -67.62 -43.05 81.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.092 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -59.71 -53.4 58.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.407 ' O ' ' CD2' ' A' ' 165' ' ' TYR . 30.4 mt -56.76 -40.14 75.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.812 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 162' ' ' HIS . . . . . 0.431 ' CE1' ' HA ' ' A' ' 125' ' ' GLN . 3.4 t-160 -56.55 -56.1 25.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.927 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 163' ' ' LYS . . . . . 0.406 ' HD2' ' CE1' ' A' ' 131' ' ' TYR . 2.8 mtpm? -69.02 -29.14 67.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.035 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 3.6 t -64.97 -25.09 67.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.25 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 165' ' ' TYR . . . . . 0.407 ' CD2' ' O ' ' A' ' 161' ' ' LEU . 24.5 m-85 -75.7 125.29 28.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.842 0.353 . . . . 0.0 111.112 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 15.7 mmt85 -65.35 -156.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.557 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.79 72.47 0.09 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.945 0.402 . . . . 0.0 110.997 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 30.0 ttm -86.51 147.25 26.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.772 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 16.6 p -95.87 162.52 23.79 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.666 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.71 -52.54 8.27 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.408 2.072 . . . . 0.0 111.782 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -51.77 -39.66 58.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.343 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.81 -43.02 85.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.702 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -68.67 -46.93 67.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.82 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -57.33 -42.6 82.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.704 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 175' ' ' LEU . . . . . 0.441 ' HG ' ' HG3' ' A' ' 179' ' ' GLU . 13.3 tp -72.33 -28.12 62.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.238 179.603 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -64.67 -54.16 36.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.888 -179.211 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 177' ' ' PHE . . . . . 0.735 ' CD2' HD22 ' A' ' 119' ' ' LEU . 14.2 t80 -70.57 -43.06 70.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.616 -0.265 . . . . 0.0 110.9 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 178' ' ' LEU . . . . . 0.428 HD11 ' HG3' ' A' ' 93' ' ' ARG . 24.3 mt -59.88 -42.19 93.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.85 0.357 . . . . 0.0 110.611 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 179' ' ' GLU . . . . . 0.441 ' HG3' ' HG ' ' A' ' 175' ' ' LEU . 3.4 mm-40 -68.51 -32.7 72.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.648 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 180' ' ' ASN . . . . . 0.795 ' O ' HD12 ' A' ' 184' ' ' LEU . 0.8 OUTLIER -72.34 -49.77 31.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.49 179.552 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -62.36 -37.92 87.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.026 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -69.34 -35.01 75.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.712 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.52 -18.23 63.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 179.536 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.795 HD12 ' O ' ' A' ' 180' ' ' ASN . 1.3 mp -104.93 -17.24 14.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.591 -179.529 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.76 38.84 6.59 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.85 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 186' ' ' MET . . . . . 0.565 ' HB2' HD13 ' A' ' 109' ' ' LEU . 13.0 ptm -94.57 17.7 12.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.25 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 187' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.884 179.952 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.232 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.0 m -112.18 139.2 47.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.824 0.345 . . . . 0.0 110.914 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -149.29 143.88 26.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -173.03 154.66 2.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.834 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -110.36 134.2 20.88 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -74.72 -28.94 9.27 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.452 2.102 . . . . 0.0 112.269 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.901 ' HB1' ' CD2' ' A' ' 87' ' ' LEU . . . -63.76 -60.72 2.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.102 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 62.45 17.98 9.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.338 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.901 ' CD2' ' HB1' ' A' ' 85' ' ' ALA . 0.7 OUTLIER -104.89 -27.78 11.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.822 0.344 . . . . 0.0 110.917 179.809 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 40.2 p -53.96 -49.48 68.66 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.0 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.484 ' HA ' HG22 ' A' ' 92' ' ' THR . 1.4 tt0 -55.33 -30.44 60.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.917 0.389 . . . . 0.0 110.664 179.76 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.54 -47.85 30.4 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.001 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 46.5 mm -61.29 -47.44 93.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.898 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.484 HG22 ' HA ' ' A' ' 89' ' ' GLU . 8.4 t -61.86 -50.4 72.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.736 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.585 ' HG3' HD11 ' A' ' 178' ' ' LEU . 22.0 ttm180 -54.84 -51.11 66.9 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.372 -179.45 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -51.89 -53.29 42.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.842 0.353 . . . . 0.0 110.982 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -63.16 -41.24 99.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.747 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.694 HD21 ' CE2' ' A' ' 187' ' ' TYR . 5.5 tp -56.56 -55.42 34.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.101 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.2 m -55.87 -42.62 76.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.994 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 82.5 mt -59.72 -37.85 80.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.958 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -72.2 -40.97 67.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.019 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.761 HD21 ' HB2' ' A' ' 186' ' ' MET . 6.5 mt -70.18 -39.52 75.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.263 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.47 -34.8 70.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.696 -179.345 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -71.74 -38.84 70.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.865 0.364 . . . . 0.0 110.872 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -67.5 -41.98 83.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.061 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.434 HD12 ' O ' ' A' ' 100' ' ' LEU . 20.4 mt -63.4 -50.26 79.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.183 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.589 HG11 ' HG3' ' A' ' 145' ' ' LYS . 30.9 m -58.5 -32.51 45.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.494 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -82.23 -2.87 53.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.654 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 68.0 33.63 79.69 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.386 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -83.41 2.29 37.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.53 0.205 . . . . 0.0 111.453 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.677 HD23 ' HD2' ' A' ' 110' ' ' PRO . 0.2 OUTLIER -152.07 134.59 8.8 Favored Pre-proline 0 C--N 1.332 -0.166 0 CA-C-O 120.533 0.206 . . . . 0.0 110.666 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.677 ' HD2' HD23 ' A' ' 109' ' ' LEU . 56.6 Cg_endo -70.79 124.8 10.99 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.478 2.118 . . . . 0.0 112.375 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 76.3 m -139.49 168.25 20.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.701 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.6 m -102.58 166.71 10.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.086 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -58.37 -49.58 76.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.14 -49.9 72.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.629 -178.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.489 HG22 ' CD1' ' A' ' 119' ' ' LEU . 85.7 m -62.83 -44.7 95.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.851 0.357 . . . . 0.0 110.542 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 33.9 mt -53.25 -45.33 68.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.416 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -72.77 -34.31 66.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.657 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 7.5 tt -68.86 -52.14 32.91 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.839 0.352 . . . . 0.0 111.072 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.521 HD22 ' CD1' ' A' ' 177' ' ' PHE . 24.6 mt -64.37 -34.11 77.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.084 0.469 . . . . 0.0 110.371 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.409 ' O ' HG12 ' A' ' 124' ' ' ILE . . . -71.16 -51.79 16.45 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.741 -0.742 . . . . 0.0 111.825 179.338 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.47 ' HA ' HG13 ' A' ' 158' ' ' VAL . 19.2 p -55.2 -33.27 62.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.712 0.292 . . . . 0.0 111.135 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.406 ' CE1' ' OE1' ' A' ' 176' ' ' GLU . 8.6 m-85 -71.62 -47.05 57.17 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.832 0.348 . . . . 0.0 110.67 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 23.3 m -57.86 -40.2 79.57 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.615 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.671 HD11 HD21 ' A' ' 146' ' ' LEU . 32.0 mm -62.52 -48.59 87.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.159 179.346 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' GLN . . . . . 0.419 ' HA ' ' CE1' ' A' ' 162' ' ' HIS . 5.0 tp-100 -56.8 -40.19 75.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.607 179.592 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.75 -24.18 44.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.495 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.37 -41.47 21.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.935 0.398 . . . . 0.0 111.421 -178.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.534 ' CD1' HG23 ' A' ' 124' ' ' ILE . 1.1 mp -114.61 2.14 14.44 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.356 -178.062 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 62.44 -147.63 49.4 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.397 -0.906 . . . . 0.0 112.443 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.69 140.57 28.93 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.939 0.4 . . . . 0.0 111.118 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -60.52 147.34 41.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.948 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -146.32 94.87 4.78 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.63 -19.92 53.63 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.409 2.073 . . . . 0.0 112.405 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -66.4 -29.59 69.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.935 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 20.7 mt -90.93 -45.49 8.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' HIS . . . . . 0.406 ' HB3' ' CG ' ' A' ' 140' ' ' TYR . 59.4 m-70 -122.56 158.29 30.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.989 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -116.55 -89.71 1.5 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.5 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 7.9 m -126.88 149.13 31.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.835 0.35 . . . . 0.0 111.162 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 59.32 20.66 8.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.141 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' TYR . . . . . 0.406 ' CG ' ' HB3' ' A' ' 136' ' ' HIS . 24.4 p90 -69.05 -11.98 61.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.41 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 1.029 HG11 HD11 ' A' ' 146' ' ' LEU . 12.2 t -79.8 0.48 3.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 120.645 0.259 . . . . 0.0 111.563 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 17.0 p -61.88 -14.16 31.31 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.652 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.76 -25.99 17.93 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.802 0.334 . . . . 0.0 110.875 179.669 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 144' ' ' PHE . . . . . 0.509 ' CZ ' HD11 ' A' ' 128' ' ' LEU . 50.3 m-85 -93.05 124.67 37.19 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 145' ' ' LYS . . . . . 0.589 ' HG3' HG11 ' A' ' 105' ' ' VAL . 0.0 OUTLIER -81.33 91.57 6.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.16 -179.851 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 1.039 HD13 HG21 ' A' ' 158' ' ' VAL . 4.7 mt -82.54 -22.23 35.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.059 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.72 ' HB1' ' HD2' ' A' ' 148' ' ' PRO . . . -175.85 166.02 1.8 Allowed Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.995 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 148' ' ' PRO . . . . . 0.72 ' HD2' ' HB1' ' A' ' 147' ' ' ALA . 38.0 Cg_endo -66.45 -47.47 3.06 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.515 2.143 . . . . 0.0 112.244 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 -105.58 69.56 0.84 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.811 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -76.13 119.55 20.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.963 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 1.6 t -116.07 163.19 16.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 12.3 pttt -45.52 -42.64 11.04 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.379 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -58.07 -52.4 65.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.798 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.936 ' O ' HG23 ' A' ' 158' ' ' VAL . 57.1 tp -63.21 -38.97 93.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.474 179.717 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -61.48 -54.22 46.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.652 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -55.94 -48.26 76.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.056 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 12.9 tptt -57.7 -36.75 72.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.537 -179.109 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 1.039 HG21 HD13 ' A' ' 146' ' ' LEU . 55.7 t -66.99 -52.4 44.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.789 0.328 . . . . 0.0 111.228 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 60.0 mtm -66.42 -40.49 89.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.197 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -63.76 -47.04 82.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.002 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.415 ' O ' ' CD2' ' A' ' 165' ' ' TYR . 55.8 mt -60.34 -41.15 92.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.968 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 162' ' ' HIS . . . . . 0.419 ' CE1' ' HA ' ' A' ' 125' ' ' GLN . 3.3 t-160 -58.86 -56.79 17.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.024 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 11.0 tttt -67.34 -31.61 71.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.081 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 20.5 t -69.95 -22.45 63.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.294 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 165' ' ' TYR . . . . . 0.415 ' CD2' ' O ' ' A' ' 161' ' ' LEU . 8.8 m-85 -74.14 129.12 37.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.856 0.36 . . . . 0.0 111.049 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -163.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.812 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 8.3 t -67.57 72.97 0.15 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.906 0.384 . . . . 0.0 110.829 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 7.3 ttm -84.16 147.16 27.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 169' ' ' THR . . . . . 0.417 ' HB ' ' HD2' ' A' ' 170' ' ' PRO . 1.9 p -99.12 161.3 25.22 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.637 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 170' ' ' PRO . . . . . 0.417 ' HD2' ' HB ' ' A' ' 169' ' ' THR . 10.1 Cg_endo -51.24 -52.38 9.18 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.521 2.147 . . . . 0.0 111.845 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -52.26 -40.96 62.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.362 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -57.82 -42.19 83.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.624 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -71.51 -39.84 70.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.58 179.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -61.26 -43.29 99.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.456 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 14.4 tp -72.51 -37.29 68.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.568 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 176' ' ' GLU . . . . . 0.406 ' OE1' ' CE1' ' A' ' 122' ' ' TYR . 31.2 mt-10 -59.91 -53.84 53.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 0.0 112.174 -178.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 177' ' ' PHE . . . . . 0.521 ' CD1' HD22 ' A' ' 119' ' ' LEU . 59.7 t80 -69.21 -46.74 66.68 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.976 -0.29 . . . . 0.0 110.581 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 178' ' ' LEU . . . . . 0.585 HD11 ' HG3' ' A' ' 93' ' ' ARG . 27.9 mt -58.14 -38.71 77.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.027 0.441 . . . . 0.0 110.27 179.523 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -68.76 -33.01 73.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.769 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 180' ' ' ASN . . . . . 0.805 ' O ' HD12 ' A' ' 184' ' ' LEU . 0.7 OUTLIER -73.66 -49.72 24.53 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.431 179.512 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -62.99 -38.14 89.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.663 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 6.0 tttt -66.09 -39.11 89.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.637 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -16.99 63.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.011 179.662 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.805 HD12 ' O ' ' A' ' 180' ' ' ASN . 1.1 mp -109.07 -12.05 14.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.67 -179.46 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 1.3 t 65.25 74.21 0.39 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.912 0.387 . . . . 0.0 110.974 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 186' ' ' MET . . . . . 0.761 ' HB2' HD21 ' A' ' 100' ' ' LEU . 31.7 mtp -102.48 -27.23 12.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.841 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 187' ' ' TYR . . . . . 0.694 ' CE2' HD21 ' A' ' 96' ' ' LEU . 2.5 p90 . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.152 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 60.4 m 60.43 -179.16 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.816 0.341 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 28.0 m80 67.56 -69.82 0.13 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.02 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.2 mmm -100.6 140.53 34.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.81 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -116.92 116.37 38.12 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -73.36 -5.66 17.51 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.472 2.114 . . . . 0.0 112.65 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -85.22 5.74 28.92 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.678 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -98.15 32.12 2.54 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.889 0.376 . . . . 0.0 110.844 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.57 -33.6 58.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.948 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.78 -50.15 74.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.973 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.448 ' HA ' HG22 ' A' ' 92' ' ' THR . 13.7 mt-10 -53.52 -30.01 39.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.995 0.426 . . . . 0.0 110.724 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.6 -47.5 47.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.768 179.22 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 40.7 mm -62.36 -49.31 84.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.196 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.476 HG23 ' N ' ' A' ' 93' ' ' ARG . 12.4 t -57.87 -50.99 71.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.278 -179.466 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.728 ' CG ' HD11 ' A' ' 178' ' ' LEU . 0.1 OUTLIER -54.47 -47.81 72.52 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.559 0.219 . . . . 0.0 111.498 -179.005 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -55.24 -53.38 56.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.9 0.381 . . . . 0.0 110.715 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -65.65 -28.22 68.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.023 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.657 HD21 ' CE2' ' A' ' 187' ' ' TYR . 6.0 tp -68.91 -55.3 11.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.655 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -56.74 -37.45 71.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.709 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 41.9 mt -61.44 -49.58 76.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.749 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -64.91 -48.58 73.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.61 -46.37 89.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.764 ' O ' HG22 ' A' ' 105' ' ' VAL . 0.0 OUTLIER -64.2 -28.66 69.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.087 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -71.18 -44.24 65.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.022 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.47 -36.63 79.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.108 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.494 HD12 ' HA ' ' A' ' 101' ' ' ARG . 9.7 mt -68.69 -54.35 21.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.302 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.764 HG22 ' O ' ' A' ' 101' ' ' ARG . 29.4 m -61.01 -32.23 52.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.477 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.77 -3.06 42.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.585 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 64.82 45.9 91.2 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.332 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 16.8 mtt180 -104.07 7.62 36.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.555 0.217 . . . . 0.0 111.338 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.641 HD22 ' SD ' ' A' ' 186' ' ' MET . 0.6 OUTLIER -155.9 110.65 2.14 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.679 179.908 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -49.56 132.63 30.67 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.513 2.142 . . . . 0.0 112.573 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -145.64 168.29 21.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.739 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.41 159.48 14.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.082 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -56.42 -47.91 78.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.968 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.23 -42.48 77.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.621 -179.095 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 74.9 m -69.12 -40.04 78.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.859 0.361 . . . . 0.0 110.357 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 38.4 mt -59.22 -48.82 80.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.298 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.457 ' HB1' ' HB3' ' A' ' 157' ' ' LYS . . . -68.59 -36.27 78.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.362 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.418 ' HG ' ' CE2' ' A' ' 122' ' ' TYR . 6.2 tt -66.57 -51.74 53.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.929 0.395 . . . . 0.0 110.738 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.801 HD22 ' CD2' ' A' ' 177' ' ' PHE . 62.3 mt -60.24 -34.27 73.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.409 179.682 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.446 ' HA2' HD22 ' A' ' 146' ' ' LEU . . . -71.52 -52.33 13.17 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.367 179.442 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 9.2 m -53.45 -35.46 60.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.596 0.236 . . . . 0.0 111.552 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.438 ' CE2' ' HB3' ' A' ' 176' ' ' GLU . 17.3 m-85 -74.43 -44.4 52.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.741 0.305 . . . . 0.0 110.826 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 30.2 m -61.74 -40.6 95.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.459 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.543 HG23 ' CD1' ' A' ' 128' ' ' LEU . 28.3 mm -63.09 -48.89 85.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.344 179.548 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' GLN . . . . . 0.425 ' HG2' ' HE3' ' A' ' 168' ' ' MET . 4.0 tp60 -57.98 -37.21 73.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.708 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 16.8 m -78.72 -24.51 44.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.209 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.32 -43.11 19.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.196 -179.227 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.543 ' CD1' HG23 ' A' ' 124' ' ' ILE . 0.9 OUTLIER -110.3 0.74 18.17 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.967 -0.56 . . . . 0.0 112.197 -178.385 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 80.07 -101.66 1.98 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.34 -0.933 . . . . 0.0 112.59 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.42 -176.31 2.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.749 0.309 . . . . 0.0 110.781 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' TYR . . . . . 0.433 ' CZ ' ' HE3' ' A' ' 163' ' ' LYS . 28.6 t80 -77.77 116.38 18.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.916 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.737 ' HB2' HD23 ' A' ' 135' ' ' LEU . 4.9 p-10 -116.77 90.39 31.69 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.895 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -77.85 -42.77 0.24 Allowed 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.661 2.241 . . . . 0.0 112.629 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.537 ' HG3' HD22 ' A' ' 135' ' ' LEU . 15.5 pt-20 -65.58 -22.99 66.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.204 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.737 HD23 ' HB2' ' A' ' 132' ' ' ASP . 4.1 mm? -75.36 -45.17 40.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.031 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -130.14 -83.32 0.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.01 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 161.21 -102.41 0.21 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.537 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 6.0 m -146.54 166.44 7.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.835 0.35 . . . . 0.0 111.18 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 63.38 25.43 14.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.189 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -77.26 -7.16 55.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.304 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.681 ' CG1' HD11 ' A' ' 146' ' ' LEU . 5.0 t -64.66 -14.51 16.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.689 0.281 . . . . 0.0 111.337 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.36 -14.61 41.72 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.414 179.673 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.91 -28.63 24.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.871 0.367 . . . . 0.0 110.782 179.697 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 144' ' ' PHE . . . . . 0.425 ' CE2' HD11 ' A' ' 128' ' ' LEU . 57.1 m-85 -109.12 119.36 39.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 145' ' ' LYS . . . . . 0.482 ' O ' HG11 ' A' ' 105' ' ' VAL . 0.0 OUTLIER -81.75 99.18 8.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.059 -179.922 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.681 HD11 ' CG1' ' A' ' 141' ' ' VAL . 1.4 mt -92.04 -15.38 27.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.209 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -162.47 155.67 17.17 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 120.738 0.304 . . . . 0.0 111.138 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.49 -49.45 1.75 Allowed 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.531 2.154 . . . . 0.0 112.232 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -104.07 68.91 0.92 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.718 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -72.6 116.88 13.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.102 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -113.21 161.98 16.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.776 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -44.85 -42.16 7.72 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.312 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -57.81 -52.1 66.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.929 ' O ' HG23 ' A' ' 158' ' ' VAL . 28.3 tp -61.58 -46.71 88.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.479 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.74 -52.5 64.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.754 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -53.1 -53.6 47.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.94 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.457 ' HB3' ' HB1' ' A' ' 117' ' ' ALA . 6.1 tptt -57.37 -29.18 63.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.139 -179.118 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.929 HG23 ' O ' ' A' ' 154' ' ' LEU . 58.9 t -67.03 -51.66 51.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.945 0.402 . . . . 0.0 110.616 179.31 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 8.3 mtt -68.24 -42.84 79.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.808 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -57.61 -51.12 70.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.82 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.404 ' O ' ' CD2' ' A' ' 165' ' ' TYR . 28.4 mt -60.59 -38.67 85.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.684 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 162' ' ' HIS . . . . . 0.449 ' CD2' HG22 ' A' ' 124' ' ' ILE . 1.5 t-80 -62.63 -56.66 15.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.702 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 163' ' ' LYS . . . . . 0.433 ' HE3' ' CZ ' ' A' ' 131' ' ' TYR . 12.4 ttmt -61.64 -33.91 74.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.763 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 7.1 t -54.5 -23.75 17.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.23 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 165' ' ' TYR . . . . . 0.404 ' CD2' ' O ' ' A' ' 161' ' ' LEU . 19.0 m-85 -95.09 133.29 39.06 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.606 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 4.5 mtt85 -132.82 -4.08 3.21 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.076 0.398 . . . . 0.0 112.076 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 26.4 m -141.48 6.57 1.89 Allowed 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 168' ' ' MET . . . . . 0.425 ' HE3' ' HG2' ' A' ' 125' ' ' GLN . 29.8 ttp -66.79 146.57 54.29 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.863 0.363 . . . . 0.0 110.986 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 169' ' ' THR . . . . . 0.408 ' HB ' ' HD2' ' A' ' 170' ' ' PRO . 18.2 p -104.61 158.23 32.43 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.625 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 170' ' ' PRO . . . . . 0.408 ' HD2' ' HB ' ' A' ' 169' ' ' THR . 8.5 Cg_endo -50.31 -53.97 6.22 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.534 2.156 . . . . 0.0 111.823 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -52.95 -39.92 63.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.231 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.67 -39.55 77.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.567 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -74.2 -43.26 57.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.649 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.46 -42.85 92.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.518 179.534 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 175' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 175' ' ' LEU . 14.6 tp -72.34 -31.82 65.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.179 179.447 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 176' ' ' GLU . . . . . 0.438 ' HB3' ' CE2' ' A' ' 122' ' ' TYR . 18.0 mm-40 -60.63 -53.67 54.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.839 -179.182 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 177' ' ' PHE . . . . . 0.801 ' CD2' HD22 ' A' ' 119' ' ' LEU . 14.1 t80 -70.59 -46.51 63.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.669 0.271 . . . . 0.0 110.764 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 178' ' ' LEU . . . . . 0.728 HD11 ' CG ' ' A' ' 93' ' ' ARG . 42.4 mt -58.65 -41.92 87.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.829 0.347 . . . . 0.0 110.638 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -68.14 -32.57 72.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.647 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 180' ' ' ASN . . . . . 0.809 ' O ' HD12 ' A' ' 184' ' ' LEU . 0.9 OUTLIER -71.03 -49.78 41.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.154 179.279 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -61.18 -38.03 85.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.723 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.93 -34.39 76.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.614 179.8 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.87 -19.98 65.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.014 179.628 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.809 HD12 ' O ' ' A' ' 180' ' ' ASN . 1.2 mp -104.56 14.26 30.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.676 -179.492 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 53.58 34.35 18.39 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.816 0.341 . . . . 0.0 111.084 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 186' ' ' MET . . . . . 0.641 ' SD ' HD22 ' A' ' 109' ' ' LEU . 6.6 mmm -59.1 -36.22 74.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.963 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 187' ' ' TYR . . . . . 0.657 ' CE2' HD21 ' A' ' 96' ' ' LEU . 11.8 p90 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.255 -0.878 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.214 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 88.6 p -95.4 -39.94 9.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.841 0.353 . . . . 0.0 110.934 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -154.14 31.16 0.44 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.38 171.04 15.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -87.17 111.9 44.08 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.805 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.93 -27.41 20.94 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.379 2.052 . . . . 0.0 112.398 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -86.25 -32.92 20.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.068 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 62.21 66.33 0.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.007 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -90.6 10.59 25.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.19 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 22.8 p -57.58 -49.58 75.94 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.019 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -54.92 -30.05 57.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.994 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -74.38 -47.8 31.92 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.317 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 46.8 mm -59.19 -45.1 93.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.065 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.449 HG23 ' N ' ' A' ' 93' ' ' ARG . 7.8 t -65.28 -49.94 67.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.074 -179.714 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.593 ' HG3' HD11 ' A' ' 178' ' ' LEU . 34.9 ttm180 -54.45 -51.13 65.96 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.552 -178.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -56.26 -54.59 43.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.903 0.382 . . . . 0.0 110.818 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -61.37 -28.52 69.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.987 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.428 ' HB2' ' O ' ' A' ' 92' ' ' THR . 5.5 tp -68.1 -55.45 12.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.892 0.377 . . . . 0.0 110.669 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 2.6 t -53.8 -40.4 66.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.772 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 95.6 mt -61.07 -46.99 88.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.672 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -64.8 -47.43 78.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.451 ' O ' HD12 ' A' ' 104' ' ' ILE . 6.0 mt -58.24 -45.78 87.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.81 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.676 ' O ' HG22 ' A' ' 105' ' ' VAL . 2.2 ttm-85 -66.48 -28.51 68.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.259 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -71.19 -44.28 65.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.235 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -70.96 -45.75 63.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.293 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.451 HD12 ' O ' ' A' ' 100' ' ' LEU . 16.3 mt -58.36 -54.19 36.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.423 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.676 HG22 ' O ' ' A' ' 101' ' ' ARG . 29.1 m -56.24 -32.41 34.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.639 -179.593 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -84.3 -1.95 56.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.559 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 69.43 32.88 71.91 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.602 -0.808 . . . . 0.0 112.339 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -83.26 1.35 41.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.55 0.214 . . . . 0.0 111.467 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.1 tt -151.26 130.09 6.31 Favored Pre-proline 0 C--N 1.332 -0.187 0 CA-C-O 120.509 0.195 . . . . 0.0 110.656 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.94 125.98 12.68 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.401 2.068 . . . . 0.0 112.425 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 1.6 m -138.75 168.34 20.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.565 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.5 p -100.21 164.38 11.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.127 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -57.4 -50.69 72.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.857 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.26 -45.02 80.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.641 -179.054 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 94.6 m -66.28 -42.64 88.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.836 0.351 . . . . 0.0 110.623 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 38.5 mt -56.52 -48.28 77.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.291 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.523 ' HB1' ' HB3' ' A' ' 157' ' ' LYS . . . -69.01 -35.82 77.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.446 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 5.9 tt -66.42 -51.73 53.96 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.882 0.372 . . . . 0.0 110.762 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.537 HD22 ' CD2' ' A' ' 177' ' ' PHE . 55.5 mt -60.99 -34.05 74.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.386 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -71.14 -52.49 13.49 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.044 179.351 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 10.0 t -53.57 -33.39 54.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.641 0.258 . . . . 0.0 111.295 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.411 ' CE1' ' OE1' ' A' ' 176' ' ' GLU . 9.7 m-85 -72.91 -47.58 44.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.81 0.338 . . . . 0.0 110.725 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 79.7 m -59.85 -35.32 74.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.568 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.468 HG23 HD12 ' A' ' 128' ' ' LEU . 32.0 mm -66.38 -51.09 62.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.492 179.573 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -57.97 -36.17 72.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.778 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.12 -23.55 47.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.025 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.15 -46.51 12.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.287 -179.356 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.468 HD12 HG23 ' A' ' 124' ' ' ILE . 1.0 OUTLIER -106.93 1.38 24.49 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.045 -0.525 . . . . 0.0 112.227 -178.555 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 81.91 -116.19 4.16 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.374 -0.917 . . . . 0.0 112.769 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.57 154.16 18.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.857 0.36 . . . . 0.0 110.981 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' TYR . . . . . 0.404 ' CD2' ' HG3' ' A' ' 163' ' ' LYS . 34.7 t80 -66.86 97.91 0.51 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.881 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -104.02 91.71 3.91 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.72 -20.99 34.32 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.522 2.148 . . . . 0.0 112.419 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -72.49 -30.56 64.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.957 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 72.8 mt -101.0 -40.41 7.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.972 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -108.45 158.11 17.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.913 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -97.52 -124.32 4.85 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.552 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.477 HG12 ' N ' ' A' ' 139' ' ' ASP . 11.2 t -142.64 160.7 18.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.859 0.361 . . . . 0.0 111.067 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' ASP . . . . . 0.477 ' N ' HG12 ' A' ' 138' ' ' VAL . 0.6 OUTLIER 65.53 21.2 11.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.219 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -80.12 -1.71 41.37 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.368 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.851 ' CG1' HD11 ' A' ' 146' ' ' LEU . 3.2 t -74.56 -6.18 8.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.576 -0.283 . . . . 0.0 111.565 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.3 m -61.57 -14.17 27.81 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.767 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 32.5 p30 -95.27 -24.5 16.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.765 0.317 . . . . 0.0 110.841 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -87.5 128.0 35.24 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.928 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.87 88.49 7.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.851 HD11 ' CG1' ' A' ' 141' ' ' VAL . 4.1 mt -90.04 -22.06 22.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.207 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.623 ' HB1' ' HD2' ' A' ' 148' ' ' PRO . . . -170.17 163.08 6.37 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.211 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 148' ' ' PRO . . . . . 0.623 ' HD2' ' HB1' ' A' ' 147' ' ' ALA . 58.2 Cg_endo -71.56 -40.1 3.16 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.625 2.217 . . . . 0.0 112.265 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -108.61 70.42 0.75 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.753 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -80.91 114.99 20.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.211 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 2.2 p -114.99 168.35 9.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.645 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -47.94 -36.57 12.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.633 179.616 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -61.75 -57.02 13.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.723 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.939 ' O ' HG23 ' A' ' 158' ' ' VAL . 26.6 tp -60.69 -42.37 97.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.422 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -59.66 -53.84 53.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.632 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -54.15 -51.27 64.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.008 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.523 ' HB3' ' HB1' ' A' ' 117' ' ' ALA . 1.1 tptt -57.54 -31.95 66.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.229 -179.254 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.939 HG23 ' O ' ' A' ' 154' ' ' LEU . 90.2 t -67.13 -50.36 64.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.825 0.345 . . . . 0.0 110.713 179.493 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 11.5 mtt -68.17 -40.67 82.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -58.08 -55.14 38.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.416 ' O ' ' CD2' ' A' ' 165' ' ' TYR . 25.7 mt -60.57 -35.27 75.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.695 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 162' ' ' HIS . . . . . 0.445 ' CE1' HG22 ' A' ' 124' ' ' ILE . 15.8 t-160 -60.27 -53.87 52.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.706 179.793 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 163' ' ' LYS . . . . . 0.404 ' HG3' ' CD2' ' A' ' 131' ' ' TYR . 15.4 tttt -71.67 -29.09 64.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.897 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 18.2 p -55.58 -24.91 35.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 165' ' ' TYR . . . . . 0.416 ' CD2' ' O ' ' A' ' 161' ' ' LEU . 18.7 m-85 -92.48 131.09 37.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.746 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 166' ' ' ARG . . . . . 0.435 ' O ' ' CB ' ' A' ' 167' ' ' SER . 20.3 mtm180 -143.97 123.42 13.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.89 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 167' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' A' ' 166' ' ' ARG . 0.8 OUTLIER 82.84 44.23 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.917 -179.838 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 2.1 tpp -119.94 146.21 46.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.585 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -92.51 165.28 19.76 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.857 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.99 -47.95 13.81 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.535 2.157 . . . . 0.0 112.089 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -50.4 -41.28 51.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.345 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -57.8 -45.2 86.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.638 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -67.92 -41.96 81.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.613 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -60.66 -42.91 97.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.438 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 15.4 tp -72.59 -32.71 66.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.325 179.477 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 176' ' ' GLU . . . . . 0.411 ' OE1' ' CE1' ' A' ' 122' ' ' TYR . 28.7 mt-10 -61.13 -52.7 63.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.985 -179.004 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 177' ' ' PHE . . . . . 0.537 ' CD2' HD22 ' A' ' 119' ' ' LEU . 10.0 t80 -71.25 -45.44 63.22 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.973 -0.291 . . . . 0.0 110.541 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 178' ' ' LEU . . . . . 0.593 HD11 ' HG3' ' A' ' 93' ' ' ARG . 89.3 mt -58.48 -41.97 86.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.01 0.433 . . . . 0.0 110.38 179.565 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -68.51 -32.24 72.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.765 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 180' ' ' ASN . . . . . 0.79 ' O ' HD12 ' A' ' 184' ' ' LEU . 0.6 OUTLIER -71.31 -49.9 37.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.13 179.369 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -61.92 -37.9 86.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.801 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.05 -37.85 86.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.645 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.83 -18.25 65.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.008 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.79 HD12 ' O ' ' A' ' 180' ' ' ASN . 1.1 mp -107.9 -3.15 19.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.876 -179.438 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 1.4 m 61.2 38.01 17.03 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.824 0.345 . . . . 0.0 110.947 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 27.6 mmm -63.45 -21.54 66.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 187' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.251 -0.88 . . . . 0.0 110.897 -179.928 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.203 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.3 m -117.41 97.08 5.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.8 0.333 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 27.7 t60 -101.21 162.48 12.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 4.0 ppp? -149.31 152.8 36.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -61.91 151.15 80.77 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.61 -19.58 27.88 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.598 2.199 . . . . 0.0 112.506 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.582 ' HB1' HD23 ' A' ' 87' ' ' LEU . . . -102.87 -67.05 0.9 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.868 0.366 . . . . 0.0 111.139 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 60.04 33.02 21.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.582 HD23 ' HB1' ' A' ' 85' ' ' ALA . 0.5 OUTLIER -86.64 -26.28 24.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.19 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 45.3 p -52.88 -50.47 63.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.23 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.416 ' HA ' HG22 ' A' ' 92' ' ' THR . 15.3 tp10 -54.63 -30.59 55.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.907 0.384 . . . . 0.0 110.529 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -75.95 -47.8 23.71 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 178.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 42.1 mm -60.95 -45.11 99.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.058 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.469 HG23 ' N ' ' A' ' 93' ' ' ARG . 10.7 t -63.34 -51.44 65.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.27 -179.469 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.701 ' HG3' HD11 ' A' ' 178' ' ' LEU . 5.2 ttm180 -54.41 -50.22 68.1 Favored 'General case' 0 C--O 1.231 0.099 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 -178.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -55.32 -54.64 41.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.936 0.398 . . . . 0.0 110.841 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -63.25 -28.27 69.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.174 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.442 HD12 ' HA ' ' A' ' 96' ' ' LEU . 5.5 tp -67.11 -55.39 14.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.939 0.4 . . . . 0.0 110.87 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 56.3 m -58.26 -35.51 71.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.644 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 98' ' ' LEU . 23.4 mt -62.45 -46.66 87.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.261 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.445 ' HA ' ' HG2' ' A' ' 102' ' ' GLN . 8.3 pt20 -68.78 -38.14 79.79 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.809 0.338 . . . . 0.0 111.253 -179.694 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.523 HD11 ' CE2' ' A' ' 187' ' ' TYR . 6.8 mt -70.15 -42.05 73.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.248 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.544 ' O ' HG22 ' A' ' 105' ' ' VAL . 0.0 OUTLIER -71.39 -33.28 69.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.839 -179.178 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.445 ' HG2' ' HA ' ' A' ' 99' ' ' GLN . 6.1 pt20 -71.94 -38.33 69.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.878 0.371 . . . . 0.0 110.786 179.539 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.29 -46.09 68.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.163 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.434 HD12 ' O ' ' A' ' 100' ' ' LEU . 18.7 mt -60.41 -51.73 69.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.303 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.544 HG22 ' O ' ' A' ' 101' ' ' ARG . 30.8 m -58.91 -32.16 46.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.754 0.312 . . . . 0.0 111.404 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -77.63 -2.48 36.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.615 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 69.45 32.33 71.58 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.627 -0.796 . . . . 0.0 112.465 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 55.1 mmm-85 -98.7 3.08 47.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.538 0.209 . . . . 0.0 111.411 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.88 HD23 ' HD2' ' A' ' 110' ' ' PRO . 0.4 OUTLIER -144.0 130.72 10.28 Favored Pre-proline 0 C--N 1.332 -0.181 0 CA-C-N 116.731 -0.213 . . . . 0.0 110.63 179.907 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.88 ' HD2' HD23 ' A' ' 109' ' ' LEU . 69.3 Cg_endo -74.22 121.71 7.05 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.46 2.107 . . . . 0.0 112.482 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -140.16 168.24 20.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.685 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -101.72 164.83 11.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.928 0.394 . . . . 0.0 111.035 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.425 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 52.9 t80 -58.99 -51.05 71.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.828 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.2 -41.55 75.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.534 -179.065 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.633 HG22 ' CD1' ' A' ' 119' ' ' LEU . 99.6 m -69.57 -39.17 77.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.831 0.348 . . . . 0.0 110.294 179.704 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 116' ' ' LEU . 18.1 mt -59.49 -48.64 80.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.176 179.451 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.471 ' HB1' ' HB3' ' A' ' 157' ' ' LYS . . . -68.8 -35.92 77.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.514 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.419 ' HG ' ' CE2' ' A' ' 122' ' ' TYR . 7.0 tt -68.28 -51.95 39.2 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.906 0.384 . . . . 0.0 110.931 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.683 HD22 ' CD2' ' A' ' 177' ' ' PHE . 21.8 mt -60.03 -34.24 73.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.369 179.637 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.407 ' O ' HG12 ' A' ' 124' ' ' ILE . . . -71.33 -50.69 20.41 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.111 179.293 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 40.0 m -53.56 -36.07 61.48 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.645 0.239 . . . . 0.0 111.645 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.443 ' CE2' ' HB3' ' A' ' 176' ' ' GLU . 22.9 m-85 -74.94 -44.39 48.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.829 0.347 . . . . 0.0 110.89 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 61.5 m -62.44 -42.01 99.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.649 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.566 HG23 ' CD1' ' A' ' 128' ' ' LEU . 25.0 mm -62.67 -49.61 83.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.602 179.608 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' GLN . . . . . 0.409 ' O ' ' CA ' ' A' ' 129' ' ' GLY . 3.3 tm0? -59.29 -36.44 75.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.756 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 5.4 p -78.96 -26.54 43.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.162 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -80.14 -40.9 26.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.146 -179.222 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.566 ' CD1' HG23 ' A' ' 124' ' ' ILE . 1.1 mp -111.35 0.35 16.62 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.213 -178.314 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.409 ' CA ' ' O ' ' A' ' 125' ' ' GLN . . . 73.02 -159.59 53.64 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.505 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -56.28 156.17 6.07 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.83 0.348 . . . . 0.0 110.94 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -60.71 138.18 58.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 27.4 p-10 -140.42 90.61 10.07 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.915 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.56 -24.13 22.47 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.56 2.174 . . . . 0.0 112.45 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -62.81 -30.66 71.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.978 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 75.7 mt -106.72 -38.09 6.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.955 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 22.5 m80 -96.84 178.17 5.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -144.36 -104.58 0.47 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.468 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 2.9 t -138.06 154.62 28.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.8 0.333 . . . . 0.0 111.128 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 61.22 19.81 10.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.194 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 23.7 p90 -73.32 -19.94 60.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.076 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.826 HG11 HD11 ' A' ' 146' ' ' LEU . 22.0 t -70.19 -9.5 12.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.45 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 29.9 m -61.56 -14.18 27.76 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.805 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.77 -28.43 21.71 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.785 0.326 . . . . 0.0 110.838 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 144' ' ' PHE . . . . . 0.448 ' CE2' HD11 ' A' ' 128' ' ' LEU . 92.9 m-85 -93.33 123.19 36.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.94 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 145' ' ' LYS . . . . . 0.43 ' O ' HG11 ' A' ' 105' ' ' VAL . 8.8 mtmt -78.43 96.16 5.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.103 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 1.03 HD13 HG21 ' A' ' 158' ' ' VAL . 3.6 mt -86.14 -21.04 27.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.101 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.756 ' HB1' ' HD2' ' A' ' 148' ' ' PRO . . . -176.07 166.94 1.65 Allowed Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.033 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 148' ' ' PRO . . . . . 0.756 ' HD2' ' HB1' ' A' ' 147' ' ' ALA . 44.9 Cg_endo -68.46 -46.96 1.68 Allowed 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.52 2.146 . . . . 0.0 112.297 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -103.08 71.37 1.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -78.13 121.22 24.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.948 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 3.4 p -120.1 166.87 12.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.917 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.52 -35.33 12.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.688 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 153' ' ' GLU . . . . . 0.425 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -62.5 -57.74 10.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.63 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.932 ' O ' HG23 ' A' ' 158' ' ' VAL . 45.8 tp -59.34 -44.23 92.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.404 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -59.22 -53.93 52.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.675 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -54.99 -49.91 70.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.949 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.471 ' HB3' ' HB1' ' A' ' 117' ' ' ALA . 14.4 tptt -57.49 -32.02 66.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.187 -179.205 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 1.03 HG21 HD13 ' A' ' 146' ' ' LEU . 57.3 t -67.08 -52.76 40.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.891 0.377 . . . . 0.0 111.022 179.665 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 11.0 mtm -67.95 -42.67 80.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.145 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -57.03 -55.16 38.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.053 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 23.4 mt -59.6 -37.56 78.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.821 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -54.49 -53.66 51.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.992 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.37 -25.09 46.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.058 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 10.4 t -68.96 -25.95 64.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.219 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 165' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -74.8 128.74 36.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.845 0.355 . . . . 0.0 111.078 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.86 -161.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.739 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 26.5 t -67.18 72.47 0.11 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.958 0.409 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 2.2 tpp -82.66 149.84 27.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.84 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 169' ' ' THR . . . . . 0.455 ' HB ' ' HD2' ' A' ' 170' ' ' PRO . 69.4 p -100.12 157.23 34.23 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.617 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 170' ' ' PRO . . . . . 0.455 ' HD2' ' HB ' ' A' ' 169' ' ' THR . 6.6 Cg_endo -48.85 -52.86 7.88 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.609 2.206 . . . . 0.0 112.174 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -50.41 -41.12 51.81 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.456 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -57.81 -45.57 85.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.719 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -65.18 -43.54 91.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.656 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -60.62 -42.38 96.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.282 0.563 . . . . 0.0 110.64 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 14.7 tp -72.59 -34.48 67.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.419 -0.809 . . . . 0.0 111.411 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 176' ' ' GLU . . . . . 0.443 ' HB3' ' CE2' ' A' ' 122' ' ' TYR . 30.5 mm-40 -60.16 -54.33 47.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.992 -178.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 177' ' ' PHE . . . . . 0.683 ' CD2' HD22 ' A' ' 119' ' ' LEU . 16.5 t80 -68.59 -46.89 68.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.611 0.243 . . . . 0.0 110.635 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 178' ' ' LEU . . . . . 0.701 HD11 ' HG3' ' A' ' 93' ' ' ARG . 35.6 mt -58.43 -38.36 77.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.057 0.456 . . . . 0.0 110.333 179.546 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.12 -33.85 75.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.827 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -73.6 -49.74 24.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.446 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -60.81 -37.83 83.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.577 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 10.4 mttm -67.55 -39.03 84.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.046 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 9.6 mtpt -77.76 -22.01 50.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.129 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.3 mt -91.08 -8.53 48.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.359 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 63.57 71.32 0.5 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.885 0.374 . . . . 0.0 110.886 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 28.6 mmm -108.42 -26.69 10.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.956 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 187' ' ' TYR . . . . . 0.523 ' CE2' HD11 ' A' ' 100' ' ' LEU . 11.8 m-85 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.918 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.18 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.5 t -127.95 28.81 5.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.803 0.335 . . . . 0.0 110.945 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 27.6 m170 57.39 30.82 19.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.033 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.37 154.38 22.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -116.36 119.57 36.12 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.16 -2.71 12.94 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.494 2.13 . . . . 0.0 112.764 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -103.68 29.95 5.4 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.819 0.343 . . . . 0.0 111.028 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -94.15 19.53 9.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.041 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.515 HD23 ' H ' ' A' ' 87' ' ' LEU . 0.4 OUTLIER -71.24 -33.87 70.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.954 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.8 p -65.94 -50.95 62.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.511 ' HA ' HG22 ' A' ' 92' ' ' THR . 1.0 OUTLIER -57.23 -31.56 65.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.947 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -71.86 -48.43 46.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.201 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 17.7 mt -67.3 -46.15 84.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.127 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.511 HG22 ' HA ' ' A' ' 89' ' ' GLU . 7.1 t -55.86 -51.84 66.13 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 121.036 -0.266 . . . . 0.0 110.674 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.823 ' CG ' HD11 ' A' ' 178' ' ' LEU . 2.9 ttp180 -54.94 -46.44 74.98 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-O 120.778 0.323 . . . . 0.0 110.896 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -52.48 -55.2 23.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.976 0.417 . . . . 0.0 110.868 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -67.98 -28.4 67.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.249 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 7.5 tp -67.9 -52.2 39.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.842 0.353 . . . . 0.0 110.616 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 9.0 m -58.69 -44.05 90.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.678 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 71.9 mt -57.84 -42.08 83.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -67.96 -47.99 67.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.086 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.524 HD21 ' HB2' ' A' ' 186' ' ' MET . 4.2 mt -61.79 -45.45 93.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.935 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.622 ' HA ' HD12 ' A' ' 104' ' ' ILE . 0.0 OUTLIER -66.72 -28.34 68.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.08 -179.908 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -71.3 -38.39 71.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.932 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -71.03 -40.13 71.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.622 HD12 ' HA ' ' A' ' 101' ' ' ARG . 11.2 mt -64.01 -49.74 80.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.147 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.578 HG11 ' O ' ' A' ' 145' ' ' LYS . 27.2 m -61.16 -32.21 52.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.497 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -80.93 -4.35 54.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.467 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 69.1 31.57 72.24 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.46 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 5.2 mtm-85 -86.21 2.82 45.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.564 0.221 . . . . 0.0 111.413 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -155.94 118.35 2.3 Favored Pre-proline 0 C--N 1.332 -0.159 0 CA-C-O 120.496 0.189 . . . . 0.0 110.769 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.7 126.85 23.21 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.508 2.139 . . . . 0.0 112.438 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -141.06 168.34 20.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.676 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 7.6 p -101.9 161.2 13.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.103 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -57.33 -47.78 80.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.85 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.25 -40.75 74.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.568 -179.089 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.469 HG22 ' CD1' ' A' ' 119' ' ' LEU . 78.5 m -71.27 -38.34 71.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.882 0.372 . . . . 0.0 110.344 179.732 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 116' ' ' LEU . 26.3 mt -60.31 -47.55 85.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.168 179.465 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.445 ' HB1' ' HB3' ' A' ' 157' ' ' LYS . . . -71.12 -35.27 71.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.523 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 6.6 tt -68.76 -51.92 35.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.847 0.356 . . . . 0.0 110.851 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.81 HD22 ' CD2' ' A' ' 177' ' ' PHE . 68.1 mt -61.77 -34.12 75.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.269 179.61 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.408 ' O ' HG12 ' A' ' 124' ' ' ILE . . . -71.28 -49.79 24.71 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.747 -0.74 . . . . 0.0 111.786 179.197 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 49.8 m -53.44 -36.84 62.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.623 0.249 . . . . 0.0 111.49 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.456 ' CE2' ' HB3' ' A' ' 176' ' ' GLU . 24.7 m-85 -72.81 -46.0 55.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.744 0.307 . . . . 0.0 110.788 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 70.1 m -59.96 -39.3 85.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.684 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.542 HG23 HD12 ' A' ' 128' ' ' LEU . 32.2 mm -63.76 -49.51 81.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.532 179.559 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' GLN . . . . . 0.414 ' O ' ' CA ' ' A' ' 129' ' ' GLY . 17.5 tm0? -59.48 -36.23 75.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.76 -27.53 44.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.145 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.34 -43.89 22.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.161 -179.373 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.817 HD11 ' CE2' ' A' ' 144' ' ' PHE . 1.3 mt -107.23 0.89 23.57 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.023 -178.719 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.414 ' CA ' ' O ' ' A' ' 125' ' ' GLN . . . 78.49 -166.32 52.27 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.391 -0.909 . . . . 0.0 112.458 179.762 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.95 156.03 32.48 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.812 0.339 . . . . 0.0 110.764 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' TYR . . . . . 0.467 ' CD2' ' HG2' ' A' ' 163' ' ' LYS . 67.2 t80 -73.63 147.72 43.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -146.47 98.75 4.21 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.828 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.41 -21.06 61.18 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.383 2.055 . . . . 0.0 112.479 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.12 -30.72 71.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.853 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 70.7 mt -97.16 -19.57 18.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.195 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 15.3 m170 61.94 156.62 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.861 0.362 . . . . 0.0 111.007 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 157.52 121.39 0.66 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.412 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 11.0 m -144.64 167.59 10.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.878 0.371 . . . . 0.0 111.26 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 64.44 15.33 9.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.515 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -79.75 -10.16 59.75 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.586 0.231 . . . . 0.0 111.272 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.738 HG13 HD11 ' A' ' 146' ' ' LEU . 6.2 t -66.36 -23.48 31.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.817 0.341 . . . . 0.0 111.069 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.71 -14.39 43.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.506 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -93.09 -25.66 17.8 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.809 0.338 . . . . 0.0 110.825 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' PHE . . . . . 0.817 ' CE2' HD11 ' A' ' 128' ' ' LEU . 79.0 m-85 -98.81 120.09 38.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.897 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 145' ' ' LYS . . . . . 0.578 ' O ' HG11 ' A' ' 105' ' ' VAL . 21.2 mttt -78.46 94.57 4.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.006 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.738 HD11 HG13 ' A' ' 141' ' ' VAL . 1.3 mt -97.61 -25.73 15.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.104 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.421 ' HB1' ' CD ' ' A' ' 148' ' ' PRO . . . -162.34 167.96 11.53 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.218 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 148' ' ' PRO . . . . . 0.421 ' CD ' ' HB1' ' A' ' 147' ' ' ALA . 3.1 Cg_exo -74.43 -69.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.861 2.374 . . . . 0.0 112.33 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -86.4 74.63 9.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' GLN . . . . . 0.654 ' HG3' HD23 ' A' ' 154' ' ' LEU . 0.9 OUTLIER -76.43 118.04 18.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.97 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 3.3 p -116.88 170.34 8.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.826 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.29 -35.83 19.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.603 179.639 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -57.59 10.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.706 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.934 ' O ' HG23 ' A' ' 158' ' ' VAL . 39.1 tp -60.68 -42.08 96.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.342 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -59.88 -53.99 51.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.59 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -55.47 -49.02 73.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.445 ' HB3' ' HB1' ' A' ' 117' ' ' ALA . 3.4 tptp -57.55 -32.91 67.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.159 -179.199 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.934 HG23 ' O ' ' A' ' 154' ' ' LEU . 60.9 t -67.04 -49.6 71.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.857 0.36 . . . . 0.0 110.851 179.533 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 11.9 mtt -68.33 -41.01 81.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.057 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -61.38 -52.76 63.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.959 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 13.5 mt -57.62 -42.3 83.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.082 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -54.61 -56.71 16.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.101 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 163' ' ' LYS . . . . . 0.467 ' HG2' ' CD2' ' A' ' 131' ' ' TYR . 6.6 mtpp -71.32 -25.09 62.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 45.5 t -67.19 -26.87 66.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.27 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 165' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -77.92 127.18 31.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.931 0.396 . . . . 0.0 111.084 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 5.0 ptt85 -63.99 -157.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.689 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.56 73.18 0.15 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.977 0.418 . . . . 0.0 110.725 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 35.8 ttm -86.67 146.95 26.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.049 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 169' ' ' THR . . . . . 0.431 ' HB ' ' HD2' ' A' ' 170' ' ' PRO . 23.5 p -97.48 162.62 21.92 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.716 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 170' ' ' PRO . . . . . 0.431 ' HD2' ' HB ' ' A' ' 169' ' ' THR . 50.4 Cg_exo -53.22 -52.17 9.34 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.42 2.08 . . . . 0.0 111.723 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -49.99 -43.27 50.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.427 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -58.1 -47.8 82.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.697 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -61.34 -44.69 96.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.545 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.43 -39.88 77.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.511 179.458 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 175' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 175' ' ' LEU . 7.9 tp -72.58 -37.11 68.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.5 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 176' ' ' GLU . . . . . 0.456 ' HB3' ' CE2' ' A' ' 122' ' ' TYR . 64.1 mm-40 -58.69 -54.82 42.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.313 -0.403 . . . . 0.0 112.063 -178.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 177' ' ' PHE . . . . . 0.81 ' CD2' HD22 ' A' ' 119' ' ' LEU . 11.3 t80 -70.01 -43.89 70.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.62 0.248 . . . . 0.0 110.823 -179.699 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 178' ' ' LEU . . . . . 0.823 HD11 ' CG ' ' A' ' 93' ' ' ARG . 21.6 mt -60.16 -40.08 88.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.871 0.367 . . . . 0.0 110.62 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -69.43 -33.04 72.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.78 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 180' ' ' ASN . . . . . 0.84 ' O ' HD12 ' A' ' 184' ' ' LEU . 0.9 OUTLIER -72.39 -49.84 30.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.091 179.447 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -61.52 -37.9 85.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.618 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.97 -33.7 74.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.679 179.743 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -19.64 64.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.041 179.635 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.84 HD12 ' O ' ' A' ' 180' ' ' ASN . 1.2 mp -103.64 -13.55 16.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.765 -179.328 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 2.6 m 62.89 73.79 0.45 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.83 0.348 . . . . 0.0 110.892 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 186' ' ' MET . . . . . 0.524 ' HB2' HD21 ' A' ' 100' ' ' LEU . 20.4 mtp -103.21 -26.98 12.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 187' ' ' TYR . . . . . 0.42 ' CD1' HD11 ' A' ' 100' ' ' LEU . 4.1 p90 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.909 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.189 0 N-CA-C 112.558 -0.217 . . . . 0.0 112.558 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.54 152.85 2.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.86 0.362 . . . . 0.0 110.871 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -132.84 -61.78 0.83 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.46 178.22 4.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -125.61 114.69 25.06 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.744 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.67 -24.99 21.14 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.388 2.058 . . . . 0.0 112.386 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.453 ' HB1' HD21 ' A' ' 87' ' ' LEU . . . -79.47 -42.41 25.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.264 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 60.2 40.65 17.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.737 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.453 HD21 ' HB1' ' A' ' 85' ' ' ALA . 16.8 mt -75.31 -53.52 8.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.12 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 3.3 m -55.92 -51.15 68.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.217 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.436 ' HA ' HG22 ' A' ' 92' ' ' THR . 2.5 mp0 -54.87 -29.96 56.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.982 0.42 . . . . 0.0 110.705 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.96 -47.8 42.25 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.072 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 42.1 mm -61.06 -45.32 98.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.285 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.477 HG23 ' N ' ' A' ' 93' ' ' ARG . 9.7 t -64.05 -51.13 65.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.241 -179.4 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.523 ' CG ' HD11 ' A' ' 178' ' ' LEU . 0.3 OUTLIER -54.34 -48.54 71.3 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 120.552 0.215 . . . . 0.0 111.572 -178.888 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -56.97 -52.51 64.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.928 0.394 . . . . 0.0 110.783 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -65.08 -28.28 69.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.241 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.423 ' HB2' ' O ' ' A' ' 92' ' ' THR . 5.6 tp -70.22 -55.45 9.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.891 0.377 . . . . 0.0 110.838 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.7 m -55.67 -39.14 70.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.752 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 67.8 mt -63.11 -46.22 88.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.819 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -66.71 -48.63 68.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.977 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.589 HD11 ' CZ ' ' A' ' 187' ' ' TYR . 3.0 mt -58.84 -48.08 82.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.75 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.687 ' HA ' HD12 ' A' ' 104' ' ' ILE . 6.3 ttp180 -64.49 -28.57 69.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.088 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.32 -38.5 71.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.963 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -70.94 -37.56 72.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.094 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.687 HD12 ' HA ' ' A' ' 101' ' ' ARG . 10.7 mt -66.58 -52.88 41.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.355 -179.673 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.622 HG11 ' O ' ' A' ' 145' ' ' LYS . 27.4 m -60.91 -32.04 51.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.621 -179.645 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -79.24 -3.07 44.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.596 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 65.31 40.47 96.55 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.475 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.09 6.75 48.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.585 0.231 . . . . 0.0 111.328 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -156.12 138.15 10.03 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-O 120.603 0.239 . . . . 0.0 110.759 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.85 122.84 8.85 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.402 2.068 . . . . 0.0 112.414 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 11.4 m -137.48 168.25 20.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.632 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 88.6 p -104.06 161.23 14.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.092 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.454 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 43.9 t80 -56.82 -48.39 78.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.932 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.24 -44.72 79.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.629 -179.104 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.643 HG22 ' CD1' ' A' ' 119' ' ' LEU . 89.4 m -67.44 -39.94 85.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.836 0.35 . . . . 0.0 110.577 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 116' ' ' LEU . 16.9 mt -58.43 -48.0 82.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.024 0.44 . . . . 0.0 110.141 179.428 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.39 -35.26 75.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.549 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.422 ' HG ' ' CE2' ' A' ' 122' ' ' TYR . 6.2 tt -69.14 -52.09 31.68 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.832 0.349 . . . . 0.0 111.027 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.69 HD22 ' CD2' ' A' ' 177' ' ' PHE . 20.7 mt -60.54 -34.15 73.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.324 179.668 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.424 ' O ' HG12 ' A' ' 124' ' ' ILE . . . -71.3 -50.05 23.46 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.693 -0.765 . . . . 0.0 111.961 179.208 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 29.0 m -53.44 -36.36 61.48 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.656 0.243 . . . . 0.0 111.656 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.446 ' CE2' ' HB3' ' A' ' 176' ' ' GLU . 23.5 m-85 -74.23 -46.56 40.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.711 0.291 . . . . 0.0 110.938 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 84.1 m -58.94 -43.26 91.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.608 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.606 HD11 HD21 ' A' ' 146' ' ' LEU . 26.8 mm -61.89 -48.41 88.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.229 179.44 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' GLN . . . . . 0.434 ' HA ' ' CE1' ' A' ' 162' ' ' HIS . 5.3 tp60 -57.83 -38.48 75.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.771 179.669 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.83 -25.17 44.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.348 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -80.27 -41.47 24.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.219 -179.128 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.562 ' CD1' HG23 ' A' ' 124' ' ' ILE . 1.2 mp -113.05 1.63 15.41 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.308 -178.2 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 78.82 -95.83 1.39 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.368 -0.92 . . . . 0.0 112.554 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -120.82 172.5 7.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.793 0.33 . . . . 0.0 110.78 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -66.16 105.83 1.49 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -114.91 90.69 23.63 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.46 -24.52 69.44 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.601 2.201 . . . . 0.0 112.362 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 6.2 pm0 -64.32 -31.5 72.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.155 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 52.0 mt -83.27 -45.48 13.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.037 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 70.2 m80 -148.95 -175.54 4.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 171.54 131.5 1.36 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.673 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 21.4 t 64.29 113.54 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.91 0.386 . . . . 0.0 111.293 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 58.33 22.8 9.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.342 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' TYR . . . . . 0.404 ' CZ ' ' HG2' ' A' ' 159' ' ' MET . 51.9 p90 -70.02 -23.37 63.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.007 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.806 ' CG1' HD11 ' A' ' 146' ' ' LEU . 21.4 t -73.71 -8.06 10.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.444 179.676 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 28.1 t -64.09 -14.24 53.26 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.639 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -87.32 -26.77 23.24 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.763 0.316 . . . . 0.0 110.971 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' PHE . . . . . 0.48 ' CZ ' HD11 ' A' ' 128' ' ' LEU . 73.2 m-85 -93.44 129.36 39.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.017 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 145' ' ' LYS . . . . . 0.622 ' O ' HG11 ' A' ' 105' ' ' VAL . 5.5 mttt -85.92 92.13 8.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.945 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.806 HD11 ' CG1' ' A' ' 141' ' ' VAL . 2.9 mt -92.6 -19.15 22.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.278 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.582 ' HB1' ' HD2' ' A' ' 148' ' ' PRO . . . -171.23 161.62 5.28 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.182 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 148' ' ' PRO . . . . . 0.582 ' HD2' ' HB1' ' A' ' 147' ' ' ALA . 57.5 Cg_endo -71.15 -41.13 2.78 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.542 2.162 . . . . 0.0 112.285 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -107.08 70.94 0.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.776 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 150' ' ' GLN . . . . . 0.597 ' HG3' HD23 ' A' ' 154' ' ' LEU . 10.5 tt0 -80.05 121.65 25.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.013 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 5.5 p -120.72 168.15 11.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.812 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 152' ' ' LYS . . . . . 0.402 ' HG2' ' N ' ' A' ' 153' ' ' GLU . 0.0 OUTLIER -50.23 -33.41 19.47 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.589 179.758 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 153' ' ' GLU . . . . . 0.454 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 0.4 OUTLIER -63.51 -55.86 20.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.638 179.907 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.917 ' O ' HG23 ' A' ' 158' ' ' VAL . 43.4 tp -62.54 -40.34 96.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.289 179.662 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 155' ' ' GLU . . . . . 0.404 ' HG2' ' HG2' ' A' ' 150' ' ' GLN . 2.5 mm-40 -61.83 -53.91 49.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.67 179.635 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -54.74 -50.48 68.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.165 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 13.2 tptt -57.65 -34.68 69.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.369 -179.179 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.917 HG23 ' O ' ' A' ' 154' ' ' LEU . 91.9 t -67.05 -51.82 50.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.806 0.336 . . . . 0.0 111.211 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 159' ' ' MET . . . . . 0.404 ' HG2' ' CZ ' ' A' ' 140' ' ' TYR . 10.4 mtm -68.2 -41.21 81.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.316 -179.651 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.22 -54.23 43.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.012 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 9.9 mt -56.79 -40.91 76.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.852 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 162' ' ' HIS . . . . . 0.434 ' CE1' ' HA ' ' A' ' 125' ' ' GLN . 3.2 t-160 -57.98 -54.55 45.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.723 179.718 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.12 -31.45 71.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.956 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.04 -22.8 29.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.417 -179.691 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 165' ' ' TYR . . . . . 0.432 ' O ' ' HB2' ' A' ' 166' ' ' ARG . 31.9 m-85 -90.83 -87.69 0.19 Allowed 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.096 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 166' ' ' ARG . . . . . 0.432 ' HB2' ' O ' ' A' ' 165' ' ' TYR . 4.3 mmm180 66.68 -0.29 1.64 Allowed 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 35.3 m -134.79 30.99 3.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.9 0.381 . . . . 0.0 110.91 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 2.7 ttp -112.76 151.41 30.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.001 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 169' ' ' THR . . . . . 0.416 ' HB ' ' HD2' ' A' ' 170' ' ' PRO . 69.8 p -99.53 160.26 27.9 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.656 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 170' ' ' PRO . . . . . 0.416 ' HD2' ' HB ' ' A' ' 169' ' ' THR . 55.0 Cg_exo -51.33 -54.34 5.57 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.4 2.067 . . . . 0.0 111.638 179.72 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -51.23 -42.62 61.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.414 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.79 -44.38 86.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.62 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -67.69 -45.06 76.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.606 179.614 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -58.28 -41.58 84.68 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.561 179.518 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 175' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 175' ' ' LEU . 12.2 tp -72.47 -33.07 66.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.023 179.285 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 176' ' ' GLU . . . . . 0.446 ' HB3' ' CE2' ' A' ' 122' ' ' TYR . 23.0 mm-40 -59.43 -54.27 48.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.892 -179.104 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 177' ' ' PHE . . . . . 0.69 ' CD2' HD22 ' A' ' 119' ' ' LEU . 47.1 t80 -70.85 -43.6 68.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.671 -0.24 . . . . 0.0 110.988 -179.728 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 178' ' ' LEU . . . . . 0.523 HD11 ' CG ' ' A' ' 93' ' ' ARG . 28.4 mt -61.28 -41.23 96.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.858 0.361 . . . . 0.0 110.705 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -69.08 -32.58 72.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.811 179.615 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -72.82 -49.8 28.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.273 179.416 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -61.81 -37.81 85.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.743 179.604 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 9.1 mttm -68.75 -35.99 77.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.745 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -77.54 -21.4 52.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.186 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.6 mt -93.03 -1.53 56.52 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.41 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.98 36.72 12.32 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.802 0.334 . . . . 0.0 110.911 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 31.6 mtp -71.01 -29.51 65.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 187' ' ' TYR . . . . . 0.589 ' CZ ' HD11 ' A' ' 100' ' ' LEU . 45.2 m-85 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.93 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.167 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.3 t 60.66 103.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.777 0.323 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 42.7 m-70 -118.64 130.56 55.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.18 158.88 15.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -98.28 100.71 9.55 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -69.74 -10.68 29.16 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.429 2.086 . . . . 0.0 112.628 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -99.07 32.1 2.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.851 0.357 . . . . 0.0 111.184 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -89.9 -8.82 50.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.336 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.635 HD23 ' H ' ' A' ' 87' ' ' LEU . 1.5 pt? -101.0 -18.35 16.32 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.324 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 39.7 p -55.56 -51.01 68.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.189 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.432 ' HA ' HG22 ' A' ' 92' ' ' THR . 18.8 mt-10 -54.33 -30.03 49.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.865 0.364 . . . . 0.0 110.838 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.49 -47.71 39.12 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 179.178 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 49.6 mm -60.2 -46.46 94.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.979 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.465 HG23 ' N ' ' A' ' 93' ' ' ARG . 9.3 t -63.87 -50.9 66.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.019 -179.703 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.465 ' N ' HG23 ' A' ' 92' ' ' THR . 1.5 tmm_? -54.44 -51.11 66.0 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 120.537 0.208 . . . . 0.0 111.465 -179.018 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -54.18 -53.05 58.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.916 0.389 . . . . 0.0 110.736 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -64.13 -28.44 69.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.022 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.428 HD12 ' HA ' ' A' ' 96' ' ' LEU . 5.9 tp -69.28 -55.33 10.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.887 0.375 . . . . 0.0 110.643 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 72.7 m -52.82 -44.38 66.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.706 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 89.3 mt -62.56 -38.75 91.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.643 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.449 ' HA ' ' HG2' ' A' ' 102' ' ' GLN . 0.0 OUTLIER -65.89 -45.86 80.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.059 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.458 ' O ' HD12 ' A' ' 104' ' ' ILE . 3.0 mm? -69.51 -33.59 73.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.009 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.482 ' O ' HG22 ' A' ' 105' ' ' VAL . 0.0 OUTLIER -74.29 -34.16 63.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.399 -179.578 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.449 ' HG2' ' HA ' ' A' ' 99' ' ' GLN . 10.5 pt20 -71.75 -38.49 70.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.75 0.31 . . . . 0.0 110.958 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.409 ' N ' ' HG3' ' A' ' 102' ' ' GLN . 1.2 m-20 -70.48 -44.31 67.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.216 -179.713 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.458 HD12 ' O ' ' A' ' 100' ' ' LEU . 35.3 mt -61.6 -54.31 36.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.425 -179.681 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 101' ' ' ARG . 35.1 m -57.1 -32.03 38.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.64 -0.254 . . . . 0.0 111.553 -179.654 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -82.53 -3.83 56.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.508 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 66.83 38.26 92.86 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.585 -0.816 . . . . 0.0 112.426 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 14.9 ttt180 -91.3 4.1 53.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.557 0.217 . . . . 0.0 111.384 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 30.1 mt -152.16 138.9 12.18 Favored Pre-proline 0 C--N 1.332 -0.194 0 CA-C-O 120.66 0.267 . . . . 0.0 110.768 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.31 123.34 7.64 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.472 2.115 . . . . 0.0 112.409 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 66.7 m -139.94 168.26 20.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.739 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.0 162.72 12.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.083 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -56.84 -48.23 78.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.913 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.2 -47.51 78.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.664 -179.005 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.633 HG22 ' CD1' ' A' ' 119' ' ' LEU . 92.5 m -65.26 -41.8 93.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.859 0.362 . . . . 0.0 110.534 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.418 ' HA ' HD23 ' A' ' 116' ' ' LEU . 14.1 mt -56.78 -47.13 80.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.273 179.513 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.543 ' HB1' ' HB3' ' A' ' 157' ' ' LYS . . . -70.2 -35.32 73.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.553 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 8.0 tt -67.73 -51.78 45.25 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.874 0.368 . . . . 0.0 110.946 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.633 ' CD1' HG22 ' A' ' 115' ' ' THR . 13.4 mt -62.06 -34.02 75.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.409 179.637 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.483 ' CA ' HD22 ' A' ' 146' ' ' LEU . . . -71.38 -52.02 14.75 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.028 179.336 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 58.8 p -54.01 -34.36 59.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.606 0.241 . . . . 0.0 111.389 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.436 ' CE2' ' HB3' ' A' ' 176' ' ' GLU . 14.8 m-85 -73.35 -46.66 47.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.797 0.332 . . . . 0.0 110.838 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 16.3 m -59.5 -39.35 83.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.641 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.557 HG23 HD12 ' A' ' 128' ' ' LEU . 28.5 mm -64.22 -49.25 82.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.405 179.519 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' GLN . . . . . 0.43 ' HA ' ' CE1' ' A' ' 162' ' ' HIS . 2.0 tp60 -59.76 -37.52 79.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.967 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.83 -28.9 44.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.844 0.354 . . . . 0.0 111.319 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -78.63 -41.37 31.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.296 -179.199 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.843 HD11 ' CE2' ' A' ' 144' ' ' PHE . 1.7 mt -109.77 0.52 18.88 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.04 -178.579 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.411 ' CA ' ' O ' ' A' ' 125' ' ' GLN . . . 77.97 -164.7 51.75 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.468 -0.872 . . . . 0.0 112.448 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -59.79 162.99 4.79 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.779 0.323 . . . . 0.0 110.941 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -75.83 137.9 40.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -124.39 90.63 50.6 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.15 -34.54 98.56 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.619 2.213 . . . . 0.0 112.331 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -61.47 -31.41 71.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 46.0 mt -79.42 -21.52 45.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.126 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 37.7 m80 63.65 81.54 0.2 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -142.92 119.92 1.46 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.298 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 12.3 m -142.25 -35.77 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 111.696 0.258 . . . . 0.0 111.696 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -87.92 17.95 4.53 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -79.97 -3.7 49.41 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.618 0.247 . . . . 0.0 111.303 179.689 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.877 ' CG1' HD11 ' A' ' 146' ' ' LEU . 5.0 t -70.32 -25.79 27.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.752 0.311 . . . . 0.0 111.234 -179.733 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.25 -14.47 55.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.476 179.751 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -84.94 -30.56 24.2 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.822 0.344 . . . . 0.0 110.813 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' PHE . . . . . 0.843 ' CE2' HD11 ' A' ' 128' ' ' LEU . 90.7 m-85 -100.4 120.8 40.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.807 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 2.5 mttp -76.29 100.53 5.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.098 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.877 HD11 ' CG1' ' A' ' 141' ' ' VAL . 1.0 OUTLIER -91.86 -21.14 20.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.049 179.917 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.579 ' HB1' ' HD2' ' A' ' 148' ' ' PRO . . . -170.63 161.81 5.94 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.072 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 148' ' ' PRO . . . . . 0.579 ' HD2' ' HB1' ' A' ' 147' ' ' ALA . 55.3 Cg_endo -70.1 -41.48 3.81 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.545 2.163 . . . . 0.0 112.385 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -107.64 70.66 0.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.812 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -79.31 120.14 23.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.013 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 2.9 p -118.13 169.25 9.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.815 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -49.53 -36.03 22.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.624 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -61.86 -59.92 4.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.665 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.932 ' O ' HG23 ' A' ' 158' ' ' VAL . 43.2 tp -59.21 -41.17 87.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.497 179.665 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.16 -54.03 50.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.641 179.675 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -56.17 -48.39 76.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.543 ' HB3' ' HB1' ' A' ' 117' ' ' ALA . 14.1 tptt -57.51 -33.6 68.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 -179.163 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.932 HG23 ' O ' ' A' ' 154' ' ' LEU . 60.5 t -67.07 -48.42 79.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.888 0.375 . . . . 0.0 110.842 179.512 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 8.3 mtt -68.28 -41.68 80.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.969 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.3 -46.28 90.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.824 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.473 HD22 ' OH ' ' A' ' 165' ' ' TYR . 56.4 mt -64.1 -42.34 96.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.828 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 162' ' ' HIS . . . . . 0.43 ' CE1' ' HA ' ' A' ' 125' ' ' GLN . 4.9 t-160 -56.26 -56.7 17.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.009 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.43 -26.96 62.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.973 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 1.7 m -61.7 -28.28 69.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.071 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 165' ' ' TYR . . . . . 0.473 ' OH ' HD22 ' A' ' 161' ' ' LEU . 19.8 m-85 -87.18 -91.92 0.1 Allowed 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.913 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 1.4 mtp85 67.32 146.02 0.04 OUTLIER 'General case' 0 C--O 1.232 0.134 0 CA-C-O 120.695 0.283 . . . . 0.0 110.619 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 76.59 25.89 0.89 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.713 -179.476 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 57.2 ttm -109.51 157.85 18.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.83 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 169' ' ' THR . . . . . 0.412 ' HB ' ' HD2' ' A' ' 170' ' ' PRO . 1.2 p -107.72 161.97 21.4 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.716 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 170' ' ' PRO . . . . . 0.412 ' HD2' ' HB ' ' A' ' 169' ' ' THR . 10.2 Cg_endo -53.42 -51.18 11.53 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.537 2.158 . . . . 0.0 111.967 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -50.71 -46.72 59.12 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.495 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -57.71 -50.76 72.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.806 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -59.91 -43.13 95.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.471 179.562 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -57.38 -37.93 73.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.322 179.329 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 175' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' A' ' 175' ' ' LEU . 1.3 tp -72.5 -37.43 68.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.439 179.509 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 176' ' ' GLU . . . . . 0.436 ' HB3' ' CE2' ' A' ' 122' ' ' TYR . 6.3 mm-40 -59.76 -54.62 44.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 112.217 -178.699 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 177' ' ' PHE . . . . . 0.42 ' CE2' ' HB3' ' A' ' 119' ' ' LEU . 15.0 t80 -70.02 -45.8 66.42 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.977 -0.289 . . . . 0.0 111.025 -179.572 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 178' ' ' LEU . . . . . 0.456 HD11 ' HG2' ' A' ' 93' ' ' ARG . 17.9 mt -60.78 -38.54 85.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.855 0.36 . . . . 0.0 110.692 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -69.67 -32.71 71.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.648 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 180' ' ' ASN . . . . . 0.549 ' HB3' HD21 ' A' ' 119' ' ' LEU . 0.8 OUTLIER -73.68 -49.64 24.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.197 179.389 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -61.8 -37.79 85.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.693 179.542 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 10.7 ttpp -71.34 -32.62 68.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.702 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 13.3 mtpt -75.53 -20.96 58.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.076 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.5 mt -89.94 -16.44 29.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.225 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 11.9 m 67.25 42.72 2.2 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.902 0.382 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 42.9 mtp -72.39 -30.19 64.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.86 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 187' ' ' TYR . . . . . 0.408 ' CD1' ' N ' ' A' ' 187' ' ' TYR . 3.7 p90 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.926 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.206 0 N-CA-C 112.557 -0.217 . . . . 0.0 112.557 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -151.15 86.29 1.36 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.352 . . . . 0.0 110.922 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -99.08 30.67 3.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.838 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -163.54 127.46 2.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.808 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.33 121.77 55.87 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.856 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -71.77 -10.21 26.06 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.492 2.128 . . . . 0.0 112.58 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -104.01 30.43 5.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.818 0.342 . . . . 0.0 111.023 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -93.69 18.44 10.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.125 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.04 -34.13 12.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.841 0.353 . . . . 0.0 110.94 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.9 p -62.04 -53.1 60.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.415 ' HA ' HG22 ' A' ' 92' ' ' THR . 3.5 tt0 -57.7 -35.44 70.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.252 -179.703 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -75.06 -49.02 21.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.878 0.37 . . . . 0.0 110.165 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 18.5 mt -65.07 -40.02 87.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.074 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.444 HG23 ' N ' ' A' ' 93' ' ' ARG . 6.2 t -62.85 -51.84 65.44 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.225 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.689 ' HG3' HD11 ' A' ' 178' ' ' LEU . 2.2 ttm105 -54.6 -49.01 71.46 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.735 0.303 . . . . 0.0 110.831 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -50.41 -58.98 4.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.958 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -59.43 -43.66 93.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.748 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.6 tp -51.67 -55.25 20.53 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.13 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.6 m -57.43 -39.79 76.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.864 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 64.5 mt -62.98 -46.74 86.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.07 -48.2 77.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.008 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.463 HD11 ' CE1' ' A' ' 187' ' ' TYR . 6.9 mt -56.24 -50.82 70.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.955 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.717 ' HA ' HD12 ' A' ' 104' ' ' ILE . 5.0 ttm180 -63.79 -28.57 69.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.162 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -71.34 -39.74 71.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.182 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -70.93 -35.48 72.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.229 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.717 HD12 ' HA ' ' A' ' 101' ' ' ARG . 9.2 mt -68.02 -52.39 39.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.444 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.422 HG11 ' HG3' ' A' ' 145' ' ' LYS . 28.3 m -59.48 -31.96 47.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.667 -179.574 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -81.95 -2.1 50.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.588 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 68.57 34.26 78.41 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.583 -0.817 . . . . 0.0 112.331 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.68 2.52 54.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.492 0.186 . . . . 0.0 111.411 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.603 HD22 ' SD ' ' A' ' 186' ' ' MET . 0.6 OUTLIER -154.11 134.08 7.81 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-O 120.564 0.221 . . . . 0.0 110.67 179.895 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.31 124.28 10.29 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.49 2.127 . . . . 0.0 112.46 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 14.7 m -140.01 144.48 36.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.727 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 41.2 m -80.56 161.59 24.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.109 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -54.31 -47.08 72.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.94 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -55.96 -52.36 64.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.583 -178.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.738 HG22 HD11 ' A' ' 119' ' ' LEU . 97.4 m -59.79 -46.06 90.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.802 0.334 . . . . 0.0 110.686 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 116' ' ' LEU . 30.2 mt -52.82 -48.76 66.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.009 0.433 . . . . 0.0 110.408 179.583 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -68.05 -35.63 78.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.686 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 8.3 tt -68.22 -52.08 38.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.784 0.326 . . . . 0.0 111.185 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.738 HD11 HG22 ' A' ' 115' ' ' THR . 8.7 mt -60.45 -34.73 74.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.995 0.426 . . . . 0.0 110.475 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.418 ' O ' HG12 ' A' ' 124' ' ' ILE . . . -71.24 -51.05 19.26 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.112 179.392 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 40.7 m -53.39 -35.36 60.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.594 0.235 . . . . 0.0 111.602 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.438 ' CD2' ' HB3' ' A' ' 176' ' ' GLU . 21.1 m-85 -75.65 -42.07 52.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.748 0.309 . . . . 0.0 111.025 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' THR . . . . . 0.433 HG21 ' HE ' ' A' ' 101' ' ' ARG . 22.2 m -65.89 -40.09 91.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.77 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.488 HG23 ' CD1' ' A' ' 128' ' ' LEU . 20.7 mm -64.65 -50.97 73.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.736 179.731 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' GLN . . . . . 0.401 ' O ' ' CA ' ' A' ' 129' ' ' GLY . 4.1 tm0? -59.58 -35.31 74.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.855 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.72 -26.4 44.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.174 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -80.67 -43.58 20.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.059 -179.381 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.644 HD11 ' CE2' ' A' ' 144' ' ' PHE . 0.8 OUTLIER -106.65 -0.76 23.45 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.881 -0.599 . . . . 0.0 112.123 -178.624 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.401 ' CA ' ' O ' ' A' ' 125' ' ' GLN . . . 74.36 -162.87 54.32 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.503 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -58.71 148.44 29.38 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.816 0.341 . . . . 0.0 111.013 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' TYR . . . . . 0.436 ' CE2' ' HG3' ' A' ' 133' ' ' PRO . 79.5 t80 -60.7 106.78 0.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -110.69 99.32 41.25 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' PRO . . . . . 0.436 ' HG3' ' CE2' ' A' ' 131' ' ' TYR . 13.6 Cg_exo -69.02 -16.43 40.65 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.686 2.257 . . . . 0.0 112.48 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 5.2 pm0 -74.39 -30.7 62.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.352 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 66.2 mt -97.39 -45.51 6.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.196 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' HIS . . . . . 0.409 ' O ' ' HA ' ' A' ' 133' ' ' PRO . 67.6 m80 -130.06 -177.7 4.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.907 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -132.56 -93.92 0.56 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.398 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 5.2 m -146.1 176.05 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.898 0.38 . . . . 0.0 111.208 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 71.65 8.35 6.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.572 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -80.54 -11.18 59.69 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.682 0.277 . . . . 0.0 111.254 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.913 ' CG1' HD11 ' A' ' 146' ' ' LEU . 3.7 t -66.14 -19.09 25.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.77 0.319 . . . . 0.0 111.251 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.7 m -63.04 -14.26 45.87 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.654 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -87.34 -28.72 22.06 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.824 0.345 . . . . 0.0 110.829 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' PHE . . . . . 0.644 ' CE2' HD11 ' A' ' 128' ' ' LEU . 98.8 m-85 -97.19 121.0 38.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 145' ' ' LYS . . . . . 0.422 ' HG3' HG11 ' A' ' 105' ' ' VAL . 0.0 OUTLIER -72.87 97.55 2.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.063 -179.866 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.913 HD11 ' CG1' ' A' ' 141' ' ' VAL . 0.5 OUTLIER -84.78 -24.74 28.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.085 -179.844 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.745 ' HB1' ' HD2' ' A' ' 148' ' ' PRO . . . -175.74 166.68 1.78 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.129 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 148' ' ' PRO . . . . . 0.745 ' HD2' ' HB1' ' A' ' 147' ' ' ALA . 48.7 Cg_endo -68.89 -37.72 10.99 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.559 2.173 . . . . 0.0 112.275 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -112.98 68.03 0.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.804 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 150' ' ' GLN . . . . . 0.823 ' NE2' HD12 ' A' ' 146' ' ' LEU . 16.7 tt0 -73.65 122.39 22.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.982 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 2.8 t -118.49 160.6 21.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.899 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 31.3 mttt -45.5 -38.38 6.2 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.295 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -61.15 -52.85 63.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.682 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.937 ' O ' HG23 ' A' ' 158' ' ' VAL . 50.4 tp -60.84 -45.73 93.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.473 179.682 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -58.6 -54.02 51.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.716 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -53.35 -50.33 65.25 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.841 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.4 ' O ' HD12 ' A' ' 161' ' ' LEU . 7.7 tptt -57.74 -31.38 66.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.179 -179.511 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.937 HG23 ' O ' ' A' ' 154' ' ' LEU . 58.5 t -67.03 -52.75 40.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.956 0.408 . . . . 0.0 110.896 179.731 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 7.7 mtt -68.21 -39.0 82.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.076 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -57.11 -55.07 39.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.045 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.417 ' O ' ' CD2' ' A' ' 165' ' ' TYR . 10.2 mt -64.75 -32.41 74.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 162' ' ' HIS . . . . . 0.48 ' CE1' HG22 ' A' ' 124' ' ' ILE . 7.1 t-160 -60.75 -56.76 17.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.76 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 163' ' ' LYS . . . . . 0.429 ' HG3' ' CD2' ' A' ' 131' ' ' TYR . 3.2 tttt -73.18 -28.16 62.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.901 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 38.2 t -54.69 -22.92 15.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.458 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 165' ' ' TYR . . . . . 0.433 ' O ' ' HB2' ' A' ' 166' ' ' ARG . 18.7 m-85 -91.21 -83.1 0.28 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.643 -0.253 . . . . 0.0 110.969 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 166' ' ' ARG . . . . . 0.433 ' HB2' ' O ' ' A' ' 165' ' ' TYR . 1.6 mmm180 66.65 0.16 1.76 Allowed 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.7 31.65 2.78 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.821 0.343 . . . . 0.0 111.016 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 1.7 tpp -112.48 146.07 39.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.777 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 32.4 p -91.71 159.19 38.95 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.77 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.11 -54.2 5.44 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.415 2.077 . . . . 0.0 111.765 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -52.6 -40.19 62.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.303 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -45.5 85.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.585 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -65.83 -42.23 90.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.586 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.29 -41.79 89.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.223 0.535 . . . . 0.0 110.358 179.492 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 175' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 175' ' ' LEU . 10.9 tp -72.46 -32.31 66.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.079 179.348 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 176' ' ' GLU . . . . . 0.438 ' HB3' ' CD2' ' A' ' 122' ' ' TYR . 6.1 mm-40 -60.59 -54.1 49.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.908 -179.116 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 177' ' ' PHE . . . . . 0.522 ' CE1' HD22 ' A' ' 119' ' ' LEU . 65.1 t80 -71.48 -40.64 70.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.572 0.225 . . . . 0.0 110.831 -179.719 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 178' ' ' LEU . . . . . 0.689 HD11 ' HG3' ' A' ' 93' ' ' ARG . 23.5 mt -63.08 -41.88 99.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.893 0.378 . . . . 0.0 110.551 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -69.49 -32.41 71.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.914 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 180' ' ' ASN . . . . . 0.632 ' O ' HD23 ' A' ' 184' ' ' LEU . 0.8 OUTLIER -73.83 -49.97 22.64 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.46 179.614 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -66.12 -38.27 87.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.058 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 4.6 ttmt -64.67 -44.9 88.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.829 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 24.4 mtpt -77.91 -18.7 55.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.909 179.355 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.632 HD23 ' O ' ' A' ' 180' ' ' ASN . 0.2 OUTLIER -71.3 -13.2 61.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.312 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 4.0 p 66.21 39.25 4.27 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.874 0.369 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 186' ' ' MET . . . . . 0.603 ' SD ' HD22 ' A' ' 109' ' ' LEU . 12.2 mmm -82.51 -32.13 28.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.829 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 187' ' ' TYR . . . . . 0.463 ' CE1' HD11 ' A' ' 100' ' ' LEU . 3.0 p90 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.236 -0.887 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.186 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.4 m -176.53 -71.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.834 0.349 . . . . 0.0 110.87 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -122.47 32.02 5.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.931 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -165.64 143.87 5.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -114.55 116.65 43.5 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.802 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -73.53 -28.79 11.64 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.444 2.096 . . . . 0.0 112.425 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -94.47 -32.14 13.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.164 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 61.07 50.11 5.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.845 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.482 HD23 ' H ' ' A' ' 87' ' ' LEU . 0.6 OUTLIER -58.92 -31.98 69.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.998 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 27.8 m -55.99 -50.17 71.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.028 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.449 ' HA ' HG22 ' A' ' 92' ' ' THR . 20.6 tt0 -54.14 -30.7 50.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.621 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.48 -47.8 38.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.723 179.107 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 43.0 mm -62.63 -48.46 88.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.144 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.487 HG23 ' N ' ' A' ' 93' ' ' ARG . 11.9 t -58.4 -51.75 68.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.315 -179.428 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.487 ' N ' HG23 ' A' ' 92' ' ' THR . 1.9 ttt180 -54.4 -47.28 72.92 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 111.632 0.234 . . . . 0.0 111.632 -178.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -55.25 -53.86 50.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.929 0.395 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -66.88 -28.25 68.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.201 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.56 ' O ' HD12 ' A' ' 100' ' ' LEU . 5.9 tp -67.99 -55.29 13.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.936 0.398 . . . . 0.0 110.675 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 4.0 m -56.01 -44.54 78.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.812 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 46.6 mt -57.24 -45.24 84.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.065 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.419 ' HA ' ' HG2' ' A' ' 102' ' ' GLN . 0.0 OUTLIER -62.21 -45.15 94.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.236 -179.881 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.56 HD12 ' O ' ' A' ' 96' ' ' LEU . 3.6 mp -70.0 -36.09 74.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.309 -179.64 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.657 ' O ' HG22 ' A' ' 105' ' ' VAL . 0.0 OUTLIER -73.51 -33.61 64.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.471 -179.57 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.419 ' HG2' ' HA ' ' A' ' 99' ' ' GLN . 5.2 pt20 -71.88 -37.83 70.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.804 0.335 . . . . 0.0 110.802 179.587 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.83 -46.99 61.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.175 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.452 HD12 ' O ' ' A' ' 100' ' ' LEU . 27.2 mt -59.73 -52.78 57.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.399 -179.661 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.657 HG22 ' O ' ' A' ' 101' ' ' ARG . 28.0 m -59.57 -32.26 48.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.737 0.303 . . . . 0.0 111.428 -179.708 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.36 -3.18 41.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.582 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 69.96 28.26 72.02 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.459 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.21 1.74 39.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.559 0.219 . . . . 0.0 111.411 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -152.52 117.88 2.99 Favored Pre-proline 0 C--N 1.332 -0.187 0 CA-C-O 120.548 0.213 . . . . 0.0 110.739 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.82 126.56 22.89 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.424 2.083 . . . . 0.0 112.401 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 93.1 m -140.82 168.3 20.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.75 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.1 t -102.08 167.22 10.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.11 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.411 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 18.9 t80 -60.66 -50.24 74.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.859 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.35 -42.15 77.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.591 -179.118 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.52 HG22 ' CD1' ' A' ' 119' ' ' LEU . 93.0 m -71.22 -37.65 72.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.88 0.371 . . . . 0.0 110.34 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 17.8 mt -59.95 -45.35 92.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.086 179.334 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.99 -34.15 64.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.57 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 8.0 tt -69.71 -52.04 29.01 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.841 0.353 . . . . 0.0 110.923 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.52 ' CD1' HG22 ' A' ' 115' ' ' THR . 58.1 mt -65.11 -33.88 77.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.104 0.478 . . . . 0.0 110.203 179.541 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.437 ' O ' HG12 ' A' ' 124' ' ' ILE . . . -71.14 -50.49 22.26 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.647 179.122 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.402 ' OG ' ' HB2' ' A' ' 161' ' ' LEU . 41.7 m -56.43 -32.43 64.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.728 0.299 . . . . 0.0 111.118 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -71.36 -46.12 61.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.852 0.358 . . . . 0.0 110.352 179.475 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 72.1 m -60.16 -37.76 81.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.566 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.621 HD11 HD21 ' A' ' 146' ' ' LEU . 28.0 mm -62.91 -49.17 84.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.109 179.349 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -56.33 -40.63 74.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.668 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.87 -24.38 44.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.712 -179.683 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.83 -41.86 20.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.946 0.403 . . . . 0.0 111.492 -178.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.604 ' CD1' HG23 ' A' ' 124' ' ' ILE . 1.1 mp -113.66 1.46 14.92 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.313 -178.098 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 68.86 -153.8 53.06 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.451 -0.881 . . . . 0.0 112.286 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -57.24 141.32 46.99 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.818 0.342 . . . . 0.0 110.941 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' TYR . . . . . 0.428 ' CD2' ' HG3' ' A' ' 163' ' ' LYS . 71.5 t80 -58.74 145.35 40.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -146.33 94.42 4.85 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' PRO . . . . . 0.416 ' HD3' ' CD2' ' A' ' 131' ' ' TYR . 46.4 Cg_endo -68.64 -27.75 32.0 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.485 2.123 . . . . 0.0 112.304 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -64.27 -31.39 72.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 38.7 mt -100.62 -39.75 7.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.826 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 20.2 m80 -83.84 -177.81 6.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.827 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -129.19 -93.93 0.73 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.583 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 10.9 m -154.19 -43.57 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.769 0.319 . . . . 0.0 111.232 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -95.92 33.21 1.73 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.076 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 43.5 p90 -75.65 -35.19 60.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.753 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.79 HG12 HD11 ' A' ' 146' ' ' LEU . 37.1 t -58.49 -22.1 19.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.063 179.696 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.6 m -65.4 -14.27 60.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.375 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -83.96 -26.5 29.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.717 0.294 . . . . 0.0 111.021 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' PHE . . . . . 0.467 ' CE2' HD21 ' A' ' 128' ' ' LEU . 99.2 m-85 -101.81 129.08 47.93 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.107 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 145' ' ' LYS . . . . . 0.619 ' O ' HG11 ' A' ' 105' ' ' VAL . 4.9 mtmp? -81.49 95.1 6.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.137 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.79 HD11 HG12 ' A' ' 141' ' ' VAL . 0.3 OUTLIER -89.46 -20.2 24.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.227 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.58 ' HB1' ' HD2' ' A' ' 148' ' ' PRO . . . -166.3 162.14 12.14 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.11 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 148' ' ' PRO . . . . . 0.58 ' HD2' ' HB1' ' A' ' 147' ' ' ALA . 50.3 Cg_endo -69.66 -48.56 0.71 Allowed 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.509 2.139 . . . . 0.0 112.327 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -104.19 70.61 0.98 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.714 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' GLN . . . . . 0.669 ' NE2' HD12 ' A' ' 146' ' ' LEU . 7.4 tt0 -71.28 118.01 13.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.283 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 5.1 t -116.03 162.03 17.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.647 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -44.82 -44.18 9.26 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.211 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 153' ' ' GLU . . . . . 0.411 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 1.2 mm-40 -57.01 -48.24 78.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.91 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.942 ' O ' HG23 ' A' ' 158' ' ' VAL . 60.2 tp -67.7 -36.8 81.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.391 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -62.47 -53.95 47.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.606 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -57.6 -48.49 79.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.912 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.48 -34.19 68.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.304 -179.15 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.942 HG23 ' O ' ' A' ' 154' ' ' LEU . 88.2 t -67.09 -48.52 78.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.874 0.369 . . . . 0.0 110.848 179.719 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 14.2 mtt -68.47 -42.63 78.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.308 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.15 -55.29 36.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.267 -179.524 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.402 ' HB2' ' OG ' ' A' ' 121' ' ' SER . 71.0 mt -64.26 -36.91 85.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.889 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 162' ' ' HIS . . . . . 0.411 ' CE1' HG22 ' A' ' 124' ' ' ILE . 18.2 t-160 -57.03 -52.95 63.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.668 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 163' ' ' LYS . . . . . 0.428 ' HG3' ' CD2' ' A' ' 131' ' ' TYR . 12.1 tttt -74.09 -26.46 60.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.737 179.764 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 29.8 m -57.82 -25.59 60.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.191 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 165' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -92.0 134.7 34.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.81 0.338 . . . . 0.0 110.849 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 166' ' ' ARG . . . . . 0.409 ' O ' ' CB ' ' A' ' 167' ' ' SER . 4.9 mmt180 -150.44 131.04 13.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 167' ' ' SER . . . . . 0.409 ' CB ' ' O ' ' A' ' 166' ' ' ARG . 0.2 OUTLIER 79.63 40.51 0.09 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.881 -179.767 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 1.7 ttp -119.68 147.64 44.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.469 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 169' ' ' THR . . . . . 0.471 ' HB ' ' HD2' ' A' ' 170' ' ' PRO . 17.0 p -98.62 156.92 35.12 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.692 0.282 . . . . 0.0 110.791 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 170' ' ' PRO . . . . . 0.471 ' HD2' ' HB ' ' A' ' 169' ' ' THR . 9.0 Cg_endo -50.32 -48.46 19.98 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.728 2.286 . . . . 0.0 112.264 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -49.16 -40.98 34.98 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.234 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -44.21 95.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.675 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -67.4 -45.15 77.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.748 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.28 -40.92 78.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.619 179.592 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 175' ' ' LEU . . . . . 0.452 ' HG ' ' HG3' ' A' ' 179' ' ' GLU . 10.9 tp -72.28 -36.45 68.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.245 179.609 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -57.62 -54.28 48.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.077 -0.51 . . . . 0.0 112.1 -179.078 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 177' ' ' PHE . . . . . 0.439 ' CD2' HD22 ' A' ' 119' ' ' LEU . 12.1 t80 -71.26 -43.81 66.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.603 0.239 . . . . 0.0 110.898 -179.66 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 178' ' ' LEU . . . . . 0.486 HD11 ' HG3' ' A' ' 93' ' ' ARG . 20.4 mt -59.47 -42.09 91.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.831 0.348 . . . . 0.0 110.756 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 179' ' ' GLU . . . . . 0.452 ' HG3' ' HG ' ' A' ' 175' ' ' LEU . 2.4 mt-10 -69.5 -32.55 71.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.805 179.61 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 180' ' ' ASN . . . . . 0.813 ' O ' HD12 ' A' ' 184' ' ' LEU . 1.0 OUTLIER -70.83 -50.0 40.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.208 179.348 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -62.92 -37.86 88.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.081 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.91 -36.23 81.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.526 179.731 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.57 -18.38 64.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.0 179.686 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.813 HD12 ' O ' ' A' ' 180' ' ' ASN . 1.0 OUTLIER -107.89 -4.45 17.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.788 -179.42 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.16 81.9 0.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.861 0.362 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 16.8 mmm -108.63 -30.06 8.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 187' ' ' TYR . . . . . 0.433 ' CD1' ' N ' ' A' ' 187' ' ' TYR . 2.2 p90 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.161 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 44.1 m -147.74 134.64 20.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.799 0.333 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -150.29 -47.01 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.917 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 37.3 mtp -127.74 174.56 9.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.924 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -101.67 106.64 47.76 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -68.53 -10.93 30.48 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.421 2.081 . . . . 0.0 112.655 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.425 ' HB3' HD23 ' A' ' 87' ' ' LEU . . . -55.98 -39.76 72.3 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.777 0.323 . . . . 0.0 111.235 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 59.56 32.16 21.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.574 HD23 ' H ' ' A' ' 87' ' ' LEU . 0.5 OUTLIER -68.3 -22.84 64.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.63 -51.46 69.42 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.06 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.487 ' HA ' HG22 ' A' ' 92' ' ' THR . 2.8 mt-10 -57.4 -32.2 66.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.941 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -72.58 -48.64 38.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.183 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 14.8 mt -66.81 -44.64 89.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.271 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.487 HG22 ' HA ' ' A' ' 89' ' ' GLU . 10.2 t -58.38 -52.05 67.26 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.524 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.526 ' CG ' HD11 ' A' ' 178' ' ' LEU . 7.0 ttm105 -54.75 -45.79 74.24 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-O 120.715 0.293 . . . . 0.0 110.942 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -52.42 -59.13 4.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.915 0.388 . . . . 0.0 110.823 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -59.87 -43.99 94.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.694 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.4 tp -51.55 -55.42 19.19 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 2.9 t -56.41 -41.06 75.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.743 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 29.1 mt -62.74 -32.72 73.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.427 ' HA ' ' HG2' ' A' ' 102' ' ' GLN . 0.0 OUTLIER -72.61 -43.63 63.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.511 HD11 ' CE2' ' A' ' 187' ' ' TYR . 7.3 mt -69.98 -35.18 74.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.038 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.475 ' O ' HG22 ' A' ' 105' ' ' VAL . 0.0 OUTLIER -72.97 -35.25 66.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.442 -179.577 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.427 ' HG2' ' HA ' ' A' ' 99' ' ' GLN . 11.7 pt20 -71.79 -37.07 70.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.843 0.354 . . . . 0.0 110.922 179.658 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -70.88 -46.02 63.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.214 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.453 HD12 ' O ' ' A' ' 100' ' ' LEU . 27.0 mt -60.37 -53.28 51.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.356 -179.689 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.726 HG11 ' O ' ' A' ' 145' ' ' LYS . 34.6 m -58.6 -32.16 45.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.513 -179.66 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -79.93 -2.16 42.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.58 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 69.66 29.78 71.11 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.363 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 1.9 mtm180 -82.83 1.62 38.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.539 0.209 . . . . 0.0 111.437 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -153.88 134.73 8.36 Favored Pre-proline 0 C--N 1.332 -0.177 0 CA-C-N 116.73 -0.214 . . . . 0.0 110.589 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.04 123.0 9.58 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.401 2.068 . . . . 0.0 112.462 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -140.56 168.25 20.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.653 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.33 163.15 12.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.053 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.413 ' CZ ' ' HA ' ' A' ' 154' ' ' LEU . 16.5 t80 -57.91 -45.08 87.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.831 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.22 -43.81 78.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.681 -179.129 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 99.3 m -70.05 -38.01 75.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.904 0.383 . . . . 0.0 110.365 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' ' 116' ' ' LEU . 18.9 mt -59.84 -45.9 90.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.118 179.429 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.25 -34.43 65.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.539 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 7.4 tt -69.54 -52.03 30.11 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.841 0.353 . . . . 0.0 110.896 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.72 HD21 ' HB3' ' A' ' 180' ' ' ASN . 91.1 mt -64.07 -34.65 78.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.074 0.464 . . . . 0.0 110.434 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.402 ' O ' HG12 ' A' ' 124' ' ' ILE . . . -71.35 -50.92 19.29 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.732 -0.747 . . . . 0.0 111.904 179.191 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 19.1 m -55.25 -34.44 64.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.651 0.262 . . . . 0.0 111.491 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.427 ' CE2' ' HB3' ' A' ' 176' ' ' GLU . 9.7 m-85 -73.29 -44.72 58.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.797 0.332 . . . . 0.0 110.71 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 69.4 m -62.36 -38.05 88.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.594 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.555 HG23 HD12 ' A' ' 128' ' ' LEU . 23.9 mm -64.14 -49.25 82.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.594 179.557 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' GLN . . . . . 0.412 ' O ' ' CA ' ' A' ' 129' ' ' GLY . 2.8 tp60 -59.9 -36.81 77.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.87 -29.24 44.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.235 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -78.6 -39.89 36.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.305 -179.127 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.555 HD12 HG23 ' A' ' 124' ' ' ILE . 1.5 mt -110.93 -0.2 16.87 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.077 -178.655 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' GLY . . . . . 0.412 ' CA ' ' O ' ' A' ' 125' ' ' GLN . . . 69.32 -155.29 53.45 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.552 -0.833 . . . . 0.0 112.421 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -62.01 153.22 30.18 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.816 0.341 . . . . 0.0 110.807 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' TYR . . . . . 0.449 ' CD1' ' HG2' ' A' ' 163' ' ' LYS . 78.2 t80 -64.79 162.67 15.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.95 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -136.32 90.48 17.78 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.976 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -67.19 -33.89 29.68 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.791 2.327 . . . . 0.0 112.383 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -77.06 -35.95 56.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.244 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 39.1 mt -75.74 -15.17 60.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.389 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 64.69 141.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.909 0.385 . . . . 0.0 110.888 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' GLY . . . . . 0.415 ' O ' ' CE2' ' A' ' 140' ' ' TYR . . . 152.34 114.2 0.58 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.314 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 23.7 m -137.72 -27.17 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -94.0 26.41 3.23 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.722 -0.217 . . . . 0.0 111.54 -179.643 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' TYR . . . . . 0.415 ' CE2' ' O ' ' A' ' 137' ' ' GLY . 0.2 OUTLIER -83.33 -10.82 58.26 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.632 0.253 . . . . 0.0 111.209 179.729 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.567 HG21 ' HG3' ' A' ' 159' ' ' MET . 13.3 t -69.28 -30.69 46.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.872 0.367 . . . . 0.0 110.906 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 42.0 t -65.82 -14.31 61.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.428 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -85.23 -30.61 23.71 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.868 0.366 . . . . 0.0 110.787 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' PHE . . . . . 0.516 ' CE2' HD11 ' A' ' 128' ' ' LEU . 95.4 m-85 -97.01 125.38 41.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.843 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 145' ' ' LYS . . . . . 0.726 ' O ' HG11 ' A' ' 105' ' ' VAL . 4.4 mtmp? -78.25 96.97 5.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.439 ' C ' HG12 ' A' ' 105' ' ' VAL . 1.0 OUTLIER -97.95 -23.6 15.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.104 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -157.65 153.73 23.51 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.236 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.85 -50.0 1.3 Allowed 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.563 2.175 . . . . 0.0 112.324 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -105.5 66.7 0.75 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.543 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' GLN . . . . . 0.421 ' HG3' HD23 ' A' ' 154' ' ' LEU . 2.7 tt0 -59.23 123.3 16.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.209 -179.734 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 2.8 p -112.57 149.55 32.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.607 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.76 -39.33 5.12 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.915 0.388 . . . . 0.0 110.666 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -63.87 -41.19 97.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.491 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.933 ' O ' HG23 ' A' ' 158' ' ' VAL . 51.5 tp -70.28 -45.96 65.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.07 0.462 . . . . 0.0 109.994 179.28 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -58.75 -53.74 54.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.457 179.405 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -54.28 -50.48 67.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.826 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 14.9 tptt -57.52 -30.15 64.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.928 -179.443 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.933 HG23 ' O ' ' A' ' 154' ' ' LEU . 62.6 t -67.04 -50.43 64.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.0 0.428 . . . . 0.0 110.526 179.392 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 159' ' ' MET . . . . . 0.567 ' HG3' HG21 ' A' ' 141' ' ' VAL . 7.9 mtt -68.35 -40.52 81.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.94 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -57.03 -55.3 36.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.052 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 15.0 mt -62.03 -34.81 76.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.811 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 162' ' ' HIS . . . . . 0.457 ' CE1' HG22 ' A' ' 124' ' ' ILE . 7.8 t-160 -56.69 -55.67 31.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.753 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 163' ' ' LYS . . . . . 0.449 ' HG2' ' CD1' ' A' ' 131' ' ' TYR . 28.2 mttt -72.85 -27.31 61.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.98 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 19.5 p -62.01 -25.08 67.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.204 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 165' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -91.21 137.37 32.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.86 0.362 . . . . 0.0 110.953 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.54 139.07 14.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.807 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 76.63 37.99 0.29 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.78 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 3.5 ttp -121.57 149.76 42.67 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.417 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 169' ' ' THR . . . . . 0.402 ' CB ' ' HD2' ' A' ' 170' ' ' PRO . 0.5 OUTLIER -99.7 165.73 14.14 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 120.642 0.258 . . . . 0.0 110.867 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 170' ' ' PRO . . . . . 0.402 ' HD2' ' CB ' ' A' ' 169' ' ' THR . 19.0 Cg_endo -58.92 -45.57 27.85 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.566 2.177 . . . . 0.0 112.152 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -51.74 -43.08 62.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.273 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.91 -46.95 84.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.727 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -65.55 -44.57 86.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.669 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -57.29 -39.48 75.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.291 0.567 . . . . 0.0 110.526 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 12.8 tp -72.64 -33.28 66.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.266 179.371 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 176' ' ' GLU . . . . . 0.427 ' HB3' ' CE2' ' A' ' 122' ' ' TYR . 50.1 mm-40 -61.39 -54.54 42.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 112.027 -178.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 177' ' ' PHE . . . . . 0.514 ' CD2' HD22 ' A' ' 119' ' ' LEU . 15.1 t80 -68.76 -45.74 70.62 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.628 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 178' ' ' LEU . . . . . 0.526 HD11 ' CG ' ' A' ' 93' ' ' ARG . 34.7 mt -59.98 -38.59 82.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.882 0.372 . . . . 0.0 110.431 179.664 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -67.68 -33.34 74.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.833 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 180' ' ' ASN . . . . . 0.787 ' O ' HD12 ' A' ' 184' ' ' LEU . 0.6 OUTLIER -71.2 -49.66 41.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.183 179.476 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -60.97 -38.55 86.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.712 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.41 -35.05 78.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.772 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.02 -19.73 65.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.949 179.582 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.787 HD12 ' O ' ' A' ' 180' ' ' ASN . 1.2 mp -104.07 14.1 31.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.762 -179.417 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 6.3 m 53.26 32.7 13.96 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.823 0.344 . . . . 0.0 111.219 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 186' ' ' MET . . . . . 0.495 ' HB3' HD21 ' A' ' 100' ' ' LEU . 6.2 mmm -64.35 -33.75 76.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.84 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 187' ' ' TYR . . . . . 0.511 ' CE2' HD11 ' A' ' 100' ' ' LEU . 35.5 m-85 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.917 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.192 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.2 m 60.39 99.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.772 0.32 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 41.8 m80 -157.74 33.64 0.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 21.6 mmt 62.01 121.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.004 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -76.3 125.13 88.11 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.846 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -73.49 -9.58 23.01 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.451 2.1 . . . . 0.0 112.646 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.6 ' O ' HG23 ' A' ' 88' ' ' THR . . . -93.09 17.04 11.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.551 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.87 -21.72 64.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.849 0.357 . . . . 0.0 110.91 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -104.89 17.77 23.55 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.211 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.6 HG23 ' O ' ' A' ' 85' ' ' ALA . 16.1 p -52.85 -49.01 66.62 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.763 0.316 . . . . 0.0 111.105 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.434 ' O ' ' HB2' ' A' ' 93' ' ' ARG . 2.7 pt-20 -51.8 -43.24 63.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.953 0.406 . . . . 0.0 110.893 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.93 -46.73 88.46 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.221 179.584 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 48.1 mm -60.75 -47.59 92.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.799 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.432 HG22 ' O ' ' A' ' 89' ' ' GLU . 10.1 t -67.01 -48.84 67.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.543 -0.298 . . . . 0.0 111.016 -179.603 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.685 ' CG ' HD11 ' A' ' 178' ' ' LEU . 3.6 ttp180 -54.41 -50.03 68.55 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.299 -179.127 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -57.28 -52.96 63.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.958 0.409 . . . . 0.0 110.739 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.475 ' HA ' HD12 ' A' ' 98' ' ' LEU . 14.6 m-85 -61.94 -28.42 69.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.959 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 96' ' ' LEU . 5.9 tp -66.16 -55.22 17.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 75.1 m -57.23 -40.28 77.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.475 HD12 ' HA ' ' A' ' 95' ' ' TYR . 30.1 mt -59.48 -50.98 71.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -66.01 -46.4 78.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.004 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.553 HD11 ' CE1' ' A' ' 187' ' ' TYR . 2.8 mt -59.72 -46.44 89.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.546 ' HA ' HD12 ' A' ' 104' ' ' ILE . 4.6 tmm_? -66.39 -28.46 68.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.159 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.15 -39.43 71.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -70.68 -39.82 73.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.546 HD12 ' HA ' ' A' ' 101' ' ' ARG . 14.7 mt -64.13 -52.12 60.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.229 -179.772 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 27.3 m -58.07 -32.35 43.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.561 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -82.83 -3.71 57.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.54 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 69.08 32.85 73.27 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.297 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -84.62 2.65 40.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.533 0.206 . . . . 0.0 111.392 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.1 tt -156.62 118.78 2.2 Favored Pre-proline 0 C--N 1.332 -0.171 0 CA-C-O 120.537 0.208 . . . . 0.0 110.711 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.87 129.44 35.22 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.462 2.108 . . . . 0.0 112.422 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 61.1 m -141.92 157.58 44.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.704 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 17.7 p -88.76 160.47 17.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.035 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -58.56 -49.76 76.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.852 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.39 -39.49 73.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.493 -179.165 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.459 HG22 ' CD1' ' A' ' 119' ' ' LEU . 92.1 m -71.91 -40.03 69.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.881 0.372 . . . . 0.0 110.347 179.675 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 116' ' ' LEU . 19.7 mt -58.74 -47.11 85.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.287 179.495 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.548 ' HB1' ' HB3' ' A' ' 157' ' ' LYS . . . -71.43 -35.9 71.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.461 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 9.0 tt -67.18 -51.81 49.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.917 0.389 . . . . 0.0 110.844 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.677 HD22 ' CD2' ' A' ' 177' ' ' PHE . 54.0 mt -62.2 -33.77 75.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.187 179.491 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.412 ' O ' HG12 ' A' ' 124' ' ' ILE . . . -71.32 -51.8 15.84 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.216 179.267 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 14.1 m -53.68 -36.42 62.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.645 0.26 . . . . 0.0 111.436 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.453 ' CG ' ' OE2' ' A' ' 176' ' ' GLU . 26.0 m-85 -72.69 -44.7 61.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.724 0.297 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 18.2 m -58.84 -41.03 85.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.887 0.375 . . . . 0.0 110.373 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.546 HG23 ' CD1' ' A' ' 128' ' ' LEU . 23.1 mm -62.39 -47.69 91.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.261 179.232 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -57.76 -38.15 74.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.64 179.619 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 21.6 t -78.81 -24.62 44.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.194 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.91 -40.64 24.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.335 -179.088 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.546 ' CD1' HG23 ' A' ' 124' ' ' ILE . 1.5 mp -114.74 1.41 14.14 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.351 -178.078 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 80.92 -102.42 2.14 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.565 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -110.12 -178.32 3.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.853 0.358 . . . . 0.0 110.862 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -74.07 122.47 22.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.81 90.61 36.83 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.848 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -73.55 -19.38 21.72 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.575 2.183 . . . . 0.0 112.587 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -67.41 -42.82 82.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.025 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 60.4 mt -81.62 -45.46 15.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.032 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 16.1 m80 -161.65 170.31 19.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' GLY . . . . . 0.46 ' O ' HG13 ' A' ' 138' ' ' VAL . . . 166.63 52.13 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.605 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.46 HG13 ' O ' ' A' ' 137' ' ' GLY . 10.5 m -157.16 -48.06 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.766 0.317 . . . . 0.0 111.325 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' ASP . . . . . 0.45 ' N ' HG23 ' A' ' 138' ' ' VAL . 0.3 OUTLIER -146.08 36.26 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.07 -179.869 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 140' ' ' TYR . . . . . 0.414 ' CZ ' ' HG2' ' A' ' 159' ' ' MET . 48.8 p90 -75.52 -34.67 60.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.837 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.89 ' CG1' HD11 ' A' ' 146' ' ' LEU . 25.5 t -62.35 -19.38 22.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.221 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.1 m -63.98 -14.15 51.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.621 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.51 -28.34 22.08 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.777 0.322 . . . . 0.0 110.89 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -94.29 128.5 40.82 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.992 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 15.3 mtmt -83.0 93.36 7.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.013 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.89 HD11 ' CG1' ' A' ' 141' ' ' VAL . 2.9 mt -87.44 -19.83 27.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.255 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.63 ' HB1' ' HD2' ' A' ' 148' ' ' PRO . . . -171.24 163.04 5.18 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 120.745 0.307 . . . . 0.0 111.181 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 148' ' ' PRO . . . . . 0.63 ' HD2' ' HB1' ' A' ' 147' ' ' ALA . 43.8 Cg_endo -68.14 -46.63 2.12 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.57 2.18 . . . . 0.0 112.195 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 -104.78 70.49 0.93 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.789 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -75.7 118.77 18.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.026 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 1.9 t -115.79 161.5 18.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.741 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 152' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 153' ' ' GLU . 0.1 OUTLIER -44.9 -39.22 5.23 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.242 -179.849 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 153' ' ' GLU . . . . . 0.402 ' N ' ' HG3' ' A' ' 152' ' ' LYS . 4.8 mm-40 -60.4 -49.31 78.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.697 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.931 ' O ' HG23 ' A' ' 158' ' ' VAL . 41.4 tp -64.23 -43.57 94.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.386 179.685 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -60.01 -54.02 50.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.636 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -53.54 -51.34 63.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.548 ' HB3' ' HB1' ' A' ' 117' ' ' ALA . 2.2 tptm -57.47 -31.8 66.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.082 -179.243 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.931 HG23 ' O ' ' A' ' 154' ' ' LEU . 93.3 t -67.09 -51.41 54.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.836 0.35 . . . . 0.0 110.887 179.589 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 159' ' ' MET . . . . . 0.414 ' HG2' ' CZ ' ' A' ' 140' ' ' TYR . 8.8 mtt -68.16 -41.46 81.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.113 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -59.41 -53.63 55.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 26.3 mt -61.23 -37.85 84.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 162' ' ' HIS . . . . . 0.46 ' CD2' HG22 ' A' ' 124' ' ' ILE . 0.6 OUTLIER -56.8 -56.6 19.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.699 179.876 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.86 -26.79 63.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.762 179.686 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 47.2 t -60.61 -26.6 67.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.143 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 165' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -93.7 137.77 32.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.881 0.372 . . . . 0.0 110.92 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.19 136.83 14.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 78.39 38.84 0.16 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 1.7 ttp -121.46 147.47 45.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.565 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 169' ' ' THR . . . . . 0.448 ' HB ' ' HD2' ' A' ' 170' ' ' PRO . 40.2 p -99.16 157.64 33.69 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.722 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 170' ' ' PRO . . . . . 0.448 ' HD2' ' HB ' ' A' ' 169' ' ' THR . 10.2 Cg_endo -51.44 -47.52 25.69 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.639 2.226 . . . . 0.0 112.135 179.806 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -49.07 -42.9 40.28 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.434 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.09 -42.13 84.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.873 0.368 . . . . 0.0 110.462 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 173' ' ' ALA . . . . . 0.461 ' O ' ' HG3' ' A' ' 176' ' ' GLU . . . -71.06 -34.24 71.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.471 179.507 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 174' ' ' ASP . . . . . 0.557 ' O ' HD12 ' A' ' 178' ' ' LEU . 0.7 OUTLIER -67.1 -44.77 79.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.348 179.38 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 175' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 175' ' ' LEU . 14.2 tp -72.31 -43.86 63.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.199 -0.909 . . . . 0.0 112.246 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 176' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 173' ' ' ALA . 3.0 pp20? -60.17 -49.09 79.01 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -178.368 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 177' ' ' PHE . . . . . 0.677 ' CD2' HD22 ' A' ' 119' ' ' LEU . 5.5 t80 -71.14 -45.38 63.67 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.474 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 178' ' ' LEU . . . . . 0.685 HD11 ' CG ' ' A' ' 93' ' ' ARG . 59.0 mt -59.83 -37.98 80.72 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.004 0.431 . . . . 0.0 110.14 179.332 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.39 -32.04 70.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.546 179.326 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 180' ' ' ASN . . . . . 0.402 ' O ' ' HG ' ' A' ' 184' ' ' LEU . 5.0 m-80 -71.27 -49.88 38.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.001 179.145 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -61.46 -37.48 83.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.822 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.45 -38.67 87.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.781 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 11.7 mtpt -77.85 -20.92 52.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.176 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 180' ' ' ASN . 1.3 mt -88.96 -5.93 57.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.349 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 5.0 t 62.54 32.34 16.56 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.861 0.362 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 14.7 mmm -64.92 -37.72 88.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 187' ' ' TYR . . . . . 0.553 ' CE1' HD11 ' A' ' 100' ' ' LEU . 4.7 p90 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.171 -0.919 . . . . 0.0 110.928 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.2 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.2 m 60.29 176.73 0.09 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.765 0.317 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 60.01 31.27 20.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.841 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.17 151.07 41.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.934 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -79.3 157.98 74.76 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -67.5 -24.48 42.34 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.573 2.182 . . . . 0.0 112.291 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -79.59 -51.26 9.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.121 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 58.8 39.51 24.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.819 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.515 HD23 ' H ' ' A' ' 87' ' ' LEU . 0.4 OUTLIER -63.66 -33.69 76.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.136 -179.882 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 72.9 p -54.55 -51.85 63.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.107 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.473 ' HA ' HG22 ' A' ' 92' ' ' THR . 3.0 tt0 -54.49 -29.99 51.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.966 0.412 . . . . 0.0 110.621 179.733 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.52 -48.01 29.61 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 44.7 mm -60.69 -46.28 96.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.877 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.483 HG23 ' N ' ' A' ' 93' ' ' ARG . 7.5 t -63.98 -52.66 58.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.872 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.483 ' N ' HG23 ' A' ' 92' ' ' THR . 1.6 tmm_? -54.65 -51.14 66.37 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-O 120.621 0.248 . . . . 0.0 111.443 -179.283 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -52.06 -55.97 17.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.865 0.364 . . . . 0.0 111.042 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -60.6 -43.19 97.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.824 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.417 HD21 ' CE2' ' A' ' 187' ' ' TYR . 5.4 tp -51.79 -55.5 19.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.1 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 57.3 m -56.54 -43.46 79.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.877 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 43.7 mt -59.93 -46.97 87.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -65.0 -48.6 73.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.941 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.453 HD11 ' CD1' ' A' ' 187' ' ' TYR . 5.2 mt -57.94 -49.77 75.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.866 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.565 ' O ' HG22 ' A' ' 105' ' ' VAL . 0.0 OUTLIER -62.75 -28.78 70.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.988 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -71.24 -40.26 71.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.841 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -70.81 -40.89 72.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.092 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.563 HD12 ' HA ' ' A' ' 101' ' ' ARG . 10.4 mt -63.82 -53.36 45.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.2 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.565 HG22 ' O ' ' A' ' 101' ' ' ARG . 27.2 m -58.86 -32.47 47.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.318 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -84.0 -1.16 54.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.56 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 68.7 29.43 72.74 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.505 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.05 -0.08 42.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.558 0.218 . . . . 0.0 111.402 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.665 HD23 ' HD2' ' A' ' 110' ' ' PRO . 4.7 mt -149.59 136.96 11.27 Favored Pre-proline 0 C--N 1.332 -0.186 0 CA-C-O 120.628 0.251 . . . . 0.0 110.684 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.665 ' HD2' HD23 ' A' ' 109' ' ' LEU . 61.4 Cg_endo -73.18 120.49 6.6 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.505 2.137 . . . . 0.0 112.256 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 53.4 m -138.97 168.25 20.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.71 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 58.5 m -102.21 160.87 14.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.019 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -54.45 -46.78 73.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.043 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.03 -49.15 74.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.693 -178.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.568 HG22 HD11 ' A' ' 119' ' ' LEU . 80.9 m -63.97 -41.29 97.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.786 0.327 . . . . 0.0 110.561 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 47.6 mt -56.96 -49.7 74.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.08 0.467 . . . . 0.0 110.142 179.402 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.471 ' HB1' ' HB3' ' A' ' 157' ' ' LYS . . . -67.29 -35.86 80.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.417 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.418 ' HG ' ' CE2' ' A' ' 122' ' ' TYR . 7.4 tt -67.11 -51.97 47.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.886 0.374 . . . . 0.0 110.99 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.72 HD22 ' CD2' ' A' ' 177' ' ' PHE . 17.7 mt -59.92 -33.9 72.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.49 179.758 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -71.34 -50.81 19.85 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.173 179.384 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 8.9 m -53.5 -36.9 62.21 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 111.692 0.256 . . . . 0.0 111.692 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.46 ' CE2' ' HB3' ' A' ' 176' ' ' GLU . 23.1 m-85 -74.38 -44.65 51.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.743 0.306 . . . . 0.0 111.023 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 90.3 m -60.47 -43.56 96.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.487 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.51 HG23 HD12 ' A' ' 128' ' ' LEU . 17.6 mm -61.26 -48.64 88.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.258 179.335 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? -58.54 -38.32 77.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.996 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 29.8 t -78.66 -25.56 44.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.377 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -81.02 -43.82 19.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.282 -179.277 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.51 HD12 HG23 ' A' ' 124' ' ' ILE . 1.1 mt -108.5 0.56 20.99 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.074 -0.512 . . . . 0.0 112.126 -178.563 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 80.1 -100.76 1.91 Allowed Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.347 -0.93 . . . . 0.0 112.737 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -108.8 175.87 5.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.879 0.371 . . . . 0.0 111.125 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' TYR . . . . . 0.435 ' CG ' ' HG3' ' A' ' 163' ' ' LYS . 2.2 t80 -99.0 104.5 16.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.91 91.79 43.67 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.826 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -63.26 -30.3 73.82 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.605 2.203 . . . . 0.0 112.206 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -63.34 -31.53 72.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.027 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 49.3 mt -82.17 -45.46 15.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.975 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -112.56 -77.65 0.58 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.953 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' GLY . . . . . 0.492 ' O ' HG13 ' A' ' 138' ' ' VAL . . . 153.89 -111.8 0.5 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.483 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.492 HG13 ' O ' ' A' ' 137' ' ' GLY . 14.6 m -158.13 160.17 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.9 0.381 . . . . 0.0 111.186 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 3.1 t0 64.02 26.55 14.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.168 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -85.52 1.81 47.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.414 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.843 ' CG1' HD11 ' A' ' 146' ' ' LEU . 2.7 t -74.42 -6.95 9.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.627 -0.26 . . . . 0.0 111.471 -179.757 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.63 -14.26 29.32 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.677 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -90.27 -27.79 19.22 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.843 0.354 . . . . 0.0 110.724 179.569 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -93.95 121.16 35.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 12.3 mttm -74.27 94.59 2.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.096 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.945 HD13 HG21 ' A' ' 158' ' ' VAL . 3.9 mt -82.76 -24.1 33.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.989 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.716 ' HB1' ' HD2' ' A' ' 148' ' ' PRO . . . -175.86 165.98 1.81 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.968 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 148' ' ' PRO . . . . . 0.716 ' HD2' ' HB1' ' A' ' 147' ' ' ALA . 31.4 Cg_endo -63.97 -49.28 4.08 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.499 2.133 . . . . 0.0 112.222 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -104.6 69.8 0.91 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.789 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -75.49 121.78 22.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.02 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 4.9 p -120.43 165.94 14.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.827 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 20.9 mttt -49.04 -33.67 11.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.662 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -63.76 -56.16 17.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.531 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.919 ' O ' HG23 ' A' ' 158' ' ' VAL . 40.6 tp -59.42 -46.46 88.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.337 179.498 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -58.0 -54.2 49.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.539 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -53.14 -49.23 67.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.826 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.471 ' HB3' ' HB1' ' A' ' 117' ' ' ALA . 10.7 tptt -57.84 -31.1 66.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 -179.646 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.945 HG21 HD13 ' A' ' 146' ' ' LEU . 44.2 t -66.76 -50.6 64.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.901 0.382 . . . . 0.0 110.72 179.537 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 9.9 mtt -68.33 -37.82 80.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.984 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.96 -55.31 34.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.15 -179.697 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 11.8 mt -61.17 -36.44 79.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 162' ' ' HIS . . . . . 0.432 ' CD2' HG22 ' A' ' 124' ' ' ILE . 4.5 t-80 -55.76 -50.35 70.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.047 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 163' ' ' LYS . . . . . 0.435 ' HG3' ' CG ' ' A' ' 131' ' ' TYR . 9.5 mtpt -81.38 -22.68 38.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.165 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 25.2 p -58.21 -25.96 62.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.232 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 165' ' ' TYR . . . . . 0.427 ' HB3' ' HB2' ' A' ' 168' ' ' MET . 9.8 m-85 -73.38 117.3 14.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.819 0.342 . . . . 0.0 110.976 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 166' ' ' ARG . . . . . 0.544 ' O ' ' CB ' ' A' ' 167' ' ' SER . 15.6 mtp-105 -76.81 49.99 0.67 Allowed 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -179.152 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 167' ' ' SER . . . . . 0.544 ' CB ' ' O ' ' A' ' 166' ' ' ARG . 1.4 t 95.33 63.4 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.194 0.521 . . . . 0.0 111.103 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 168' ' ' MET . . . . . 0.427 ' HB2' ' HB3' ' A' ' 165' ' ' TYR . 50.3 ttm -82.91 152.86 25.35 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.283 179.155 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -105.0 163.21 17.63 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.805 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -52.77 -52.26 9.26 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.491 2.127 . . . . 0.0 111.732 179.671 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -49.94 -42.65 48.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.311 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -57.9 -46.35 85.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.605 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -67.06 -39.72 86.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.59 179.557 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.77 -44.57 95.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.493 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 17.6 tp -72.42 -35.33 68.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.268 179.605 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 176' ' ' GLU . . . . . 0.46 ' HB3' ' CE2' ' A' ' 122' ' ' TYR . 7.6 mm-40 -59.33 -54.66 44.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.96 -178.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 177' ' ' PHE . . . . . 0.72 ' CD2' HD22 ' A' ' 119' ' ' LEU . 14.8 t80 -69.4 -47.28 64.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.653 0.263 . . . . 0.0 110.888 -179.659 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 25.5 mt -58.84 -39.39 81.13 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.861 0.362 . . . . 0.0 110.64 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.08 -32.94 72.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.766 179.734 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 180' ' ' ASN . . . . . 0.834 ' O ' HD12 ' A' ' 184' ' ' LEU . 0.6 OUTLIER -73.17 -49.87 25.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.214 179.502 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -61.32 -37.95 85.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.549 179.494 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 26.6 tttt -68.83 -34.46 75.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.603 179.62 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -19.66 65.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.013 179.598 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.834 HD12 ' O ' ' A' ' 180' ' ' ASN . 1.2 mp -104.16 -12.58 16.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.696 -179.458 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 4.3 m 64.27 34.97 10.31 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.829 0.347 . . . . 0.0 110.871 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 2.6 mmm -60.15 -30.6 69.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 187' ' ' TYR . . . . . 0.453 ' CD1' HD11 ' A' ' 100' ' ' LEU . 4.4 p90 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.249 -0.882 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.195 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.61 135.66 35.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.838 0.352 . . . . 0.0 110.865 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -105.3 37.92 2.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -167.88 121.64 0.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -120.89 100.58 46.07 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.83 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.765 ' HA ' HD21 ' A' ' 87' ' ' LEU . 73.0 Cg_endo -76.14 -3.41 13.81 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.56 2.173 . . . . 0.0 112.827 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -85.49 -31.52 22.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.753 0.311 . . . . 0.0 111.246 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -63.92 -23.19 67.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.259 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.765 HD21 ' HA ' ' A' ' 84' ' ' PRO . 0.4 OUTLIER -101.12 -14.91 17.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.481 -179.833 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 89.8 m -53.31 -50.27 65.28 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.689 0.28 . . . . 0.0 111.11 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.469 ' HA ' HG22 ' A' ' 92' ' ' THR . 0.2 OUTLIER -55.22 -31.86 61.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.96 0.41 . . . . 0.0 110.631 179.907 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.56 -47.91 44.29 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 179.014 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 47.6 mm -60.53 -44.17 95.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.087 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.469 HG22 ' HA ' ' A' ' 89' ' ' GLU . 5.8 t -68.8 -51.24 42.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.487 -179.416 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.459 ' N ' HG23 ' A' ' 92' ' ' THR . 0.0 OUTLIER -54.56 -38.34 66.54 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 -178.479 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.431 ' N ' ' HG3' ' A' ' 93' ' ' ARG . 18.7 t80 -69.63 -51.25 36.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.897 0.379 . . . . 0.0 110.449 179.583 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -61.87 -28.31 69.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.808 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' A' ' 96' ' ' LEU . 5.8 tp -67.9 -55.3 13.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.786 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 39.0 t -55.22 -40.14 70.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.928 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 98' ' ' LEU . 16.1 mt -60.88 -47.73 85.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.723 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -64.71 -47.84 76.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.703 HD11 ' CE1' ' A' ' 187' ' ' TYR . 8.6 mt -60.38 -46.93 88.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.848 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.745 ' HA ' HD12 ' A' ' 104' ' ' ILE . 0.5 OUTLIER -63.22 -28.89 70.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 179.881 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -71.1 -39.36 72.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.114 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -70.95 -34.32 71.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.063 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.745 HD12 ' HA ' ' A' ' 101' ' ' ARG . 10.0 mt -69.36 -54.47 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.363 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.509 HG22 ' O ' ' A' ' 101' ' ' ARG . 26.9 m -58.73 -32.07 45.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.504 -179.689 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -82.74 -3.24 56.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.625 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 65.8 41.93 95.38 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.37 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -92.68 5.69 50.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.599 0.238 . . . . 0.0 111.442 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.755 HD23 ' HD2' ' A' ' 110' ' ' PRO . 0.2 OUTLIER -156.21 134.8 7.48 Favored Pre-proline 0 CA--C 1.53 0.178 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.623 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.755 ' HD2' HD23 ' A' ' 109' ' ' LEU . 52.5 Cg_endo -69.38 125.83 12.82 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.375 2.05 . . . . 0.0 112.389 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 60.0 m -138.15 168.27 20.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.648 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 41.7 t -101.6 161.74 13.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.916 0.389 . . . . 0.0 111.143 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.444 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 14.2 t80 -56.08 -49.65 73.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.964 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.18 -46.0 79.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.66 -178.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 90.0 m -64.44 -44.09 92.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.823 0.344 . . . . 0.0 110.623 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 116' ' ' LEU . 20.5 mt -54.91 -49.39 71.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.343 179.489 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -67.11 -36.36 81.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.478 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.408 ' HG ' ' CE2' ' A' ' 122' ' ' TYR . 5.8 tt -66.33 -51.77 53.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.917 0.389 . . . . 0.0 110.888 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.543 HD22 ' CD2' ' A' ' 177' ' ' PHE . 43.3 mt -59.92 -33.89 72.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.435 179.669 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.517 ' HA3' HD22 ' A' ' 146' ' ' LEU . . . -71.36 -51.81 15.66 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.184 179.416 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 69.1 m -53.55 -34.91 59.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.57 0.224 . . . . 0.0 111.42 -179.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.424 ' CD2' ' HB3' ' A' ' 176' ' ' GLU . 15.4 m-85 -74.26 -44.19 53.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.841 0.353 . . . . 0.0 110.743 179.775 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' THR . . . . . 0.551 HG22 ' OE1' ' A' ' 127' ' ' GLU . 34.0 m -62.2 -41.63 98.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.634 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.496 HG23 HD12 ' A' ' 128' ' ' LEU . 12.2 mm -62.28 -50.08 81.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.526 179.558 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 12.5 tp60 -59.28 -36.92 76.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.081 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 53.3 p -78.65 -26.53 45.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.356 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.551 ' OE1' HG22 ' A' ' 123' ' ' THR . 2.1 mt-10 -80.97 -44.46 18.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.28 -179.3 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.91 HD11 ' CE2' ' A' ' 144' ' ' PHE . 1.3 mt -106.91 0.16 23.64 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.052 -0.522 . . . . 0.0 112.13 -178.564 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 80.04 -101.66 1.97 Allowed Glycine 0 C--N 1.33 0.243 0 C-N-CA 120.422 -0.894 . . . . 0.0 112.758 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.63 -179.56 3.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.865 0.364 . . . . 0.0 110.992 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -76.52 109.91 10.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.931 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -117.06 94.59 45.15 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.811 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' PRO . . . . . 0.425 ' HA ' ' O ' ' A' ' 136' ' ' HIS . 76.2 Cg_endo -77.44 0.68 9.53 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.598 2.198 . . . . 0.0 112.907 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -76.62 -39.21 53.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.764 0.316 . . . . 0.0 111.214 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 29.6 mt -94.07 -45.54 7.52 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.245 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' HIS . . . . . 0.425 ' O ' ' HA ' ' A' ' 133' ' ' PRO . 51.7 m80 -123.5 -175.74 3.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.826 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 160.13 127.42 0.9 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.809 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 24.0 t 65.89 118.23 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.914 0.388 . . . . 0.0 111.551 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 55.59 22.22 5.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.501 179.636 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 140' ' ' TYR . . . . . 0.453 ' CE1' ' HG2' ' A' ' 159' ' ' MET . 0.0 OUTLIER -72.39 -3.57 24.85 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -179.67 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 1.006 HG11 HD11 ' A' ' 146' ' ' LEU . 20.4 t -85.05 1.68 4.64 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 CA-C-O 120.709 0.29 . . . . 0.0 111.347 179.629 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 7.0 t -63.13 -14.04 43.92 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.737 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -90.76 -24.35 20.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.706 0.289 . . . . 0.0 111.034 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' PHE . . . . . 0.91 ' CE2' HD11 ' A' ' 128' ' ' LEU . 91.8 m-85 -101.18 118.41 36.92 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.11 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.84 97.32 5.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.002 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 1.006 HD11 HG11 ' A' ' 141' ' ' VAL . 2.6 mt -86.11 -20.85 28.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.2 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -172.11 155.92 3.71 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.103 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -63.97 -25.71 66.66 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.535 2.156 . . . . 0.0 112.333 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -125.13 63.49 1.15 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.844 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' GLN . . . . . 0.406 ' HG3' HD23 ' A' ' 154' ' ' LEU . 11.6 tt0 -69.52 120.67 15.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.965 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 5.4 t -115.78 161.6 18.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.928 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.76 -43.54 8.61 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.31 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 153' ' ' GLU . . . . . 0.444 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -56.7 -53.42 57.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.751 179.881 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.936 ' O ' HG23 ' A' ' 158' ' ' VAL . 53.4 tp -61.36 -41.85 97.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.539 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -59.36 -53.97 52.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.829 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -54.44 -51.33 65.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.948 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 3.6 tptp -57.46 -30.94 65.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.136 -179.172 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.948 HG21 HD13 ' A' ' 146' ' ' LEU . 84.5 t -66.98 -49.56 72.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.902 0.382 . . . . 0.0 110.71 179.44 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 159' ' ' MET . . . . . 0.453 ' HG2' ' CE1' ' A' ' 140' ' ' TYR . 28.1 mtm -68.35 -41.26 80.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.117 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.94 -51.26 70.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.135 -179.716 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 11.5 mt -65.39 -36.45 84.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.086 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 -64.89 -56.66 12.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.96 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -31.65 69.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.606 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.36 -22.9 13.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.406 -179.646 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 165' ' ' TYR . . . . . 0.465 ' CE2' ' HE1' ' A' ' 168' ' ' MET . 16.6 m-85 -94.37 130.08 40.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.625 0.25 . . . . 0.0 110.747 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.16 -6.58 4.36 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.003 0.372 . . . . 0.0 112.003 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 6.4 m -140.35 10.89 2.33 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.694 0.257 . . . . 0.0 111.694 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 168' ' ' MET . . . . . 0.465 ' HE1' ' CE2' ' A' ' 165' ' ' TYR . 37.7 ttm -69.47 141.04 54.07 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.861 0.362 . . . . 0.0 111.037 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 169' ' ' THR . . . . . 0.409 ' HB ' ' HD2' ' A' ' 170' ' ' PRO . 19.9 p -95.84 154.64 38.99 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.76 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 170' ' ' PRO . . . . . 0.409 ' HD2' ' HB ' ' A' ' 169' ' ' THR . 10.2 Cg_endo -51.16 -55.22 4.25 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.596 2.197 . . . . 0.0 111.84 179.74 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -51.67 -37.29 49.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.135 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -57.9 -43.59 86.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.467 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -67.46 -45.38 76.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.663 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.35 -43.36 83.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.537 179.606 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 175' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' A' ' 175' ' ' LEU . 12.5 tp -72.25 -29.38 63.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.06 179.367 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 176' ' ' GLU . . . . . 0.424 ' HB3' ' CD2' ' A' ' 122' ' ' TYR . 5.7 mm-40 -61.62 -52.49 64.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.684 -179.298 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 177' ' ' PHE . . . . . 0.543 ' CD2' HD22 ' A' ' 119' ' ' LEU . 18.3 t80 -71.62 -43.82 65.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.633 0.254 . . . . 0.0 110.861 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 32.0 mt -61.63 -43.08 99.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.916 0.388 . . . . 0.0 110.614 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -68.0 -32.32 72.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.876 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -73.5 -49.65 25.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.36 179.57 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -61.29 -37.85 84.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.789 179.655 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 8.1 tptt -71.11 -33.88 70.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.866 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -77.47 -22.24 51.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.111 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.6 mt -89.6 -0.33 57.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.357 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 20.9 m 63.49 36.73 11.04 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.895 0.379 . . . . 0.0 110.928 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 11.7 mtp -64.61 -41.59 96.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.924 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 187' ' ' TYR . . . . . 0.703 ' CE1' HD11 ' A' ' 100' ' ' LEU . 7.6 p90 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.967 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.258 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 74.1 p -125.49 118.18 25.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.798 0.333 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -95.96 130.39 42.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 37.0 tpp -143.12 160.51 40.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.89 153.9 39.02 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.429 ' HA ' ' HG ' ' A' ' 87' ' ' LEU . 48.4 Cg_endo -68.71 -20.39 40.28 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.585 2.19 . . . . 0.0 112.463 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -78.18 -33.29 50.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.109 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -95.1 40.76 1.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.429 ' HG ' ' HA ' ' A' ' 84' ' ' PRO . 33.7 mt -93.11 15.48 15.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.256 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 7.8 m -55.78 -48.44 75.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.822 0.344 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.441 ' HA ' HG22 ' A' ' 92' ' ' THR . 0.7 OUTLIER -51.83 -48.46 63.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 179.891 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -54.94 -46.33 74.95 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.052 0.453 . . . . 0.0 110.544 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 40.6 mm -62.25 -49.29 84.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.915 -179.655 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.451 HG23 ' N ' ' A' ' 93' ' ' ARG . 7.6 t -65.69 -50.68 64.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.278 -179.34 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.569 ' HG2' HD11 ' A' ' 178' ' ' LEU . 0.0 OUTLIER -54.44 -46.07 73.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.599 0.238 . . . . 0.0 111.438 -179.126 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -58.93 -54.54 45.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.922 0.391 . . . . 0.0 110.638 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -62.46 -28.49 69.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.907 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 96' ' ' LEU . 6.0 tp -66.15 -55.17 17.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.903 0.382 . . . . 0.0 110.643 179.775 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 35.4 m -55.23 -41.11 71.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.634 179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 48.5 mt -58.93 -44.68 91.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.776 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.502 ' O ' ' HG3' ' A' ' 102' ' ' GLN . 0.9 OUTLIER -64.6 -40.74 96.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 179.91 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.6 HD11 ' CE1' ' A' ' 187' ' ' TYR . 11.1 mt -70.61 -36.79 73.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.547 ' O ' HG22 ' A' ' 105' ' ' VAL . 0.0 OUTLIER -75.98 -35.45 59.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.9 -179.172 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.502 ' HG3' ' O ' ' A' ' 99' ' ' GLN . 0.1 OUTLIER -71.99 -36.37 69.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.894 0.378 . . . . 0.0 110.81 179.526 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -71.11 -49.87 39.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.077 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.461 HD12 ' O ' ' A' ' 100' ' ' LEU . 41.0 mt -57.11 -50.19 77.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.21 -179.76 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.717 HG11 ' O ' ' A' ' 145' ' ' LYS . 27.6 m -60.03 -32.25 49.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.778 0.323 . . . . 0.0 111.298 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -77.72 -2.7 37.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.617 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 71.45 28.21 70.02 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.502 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 10.8 tpt180 -85.77 2.66 44.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.522 0.201 . . . . 0.0 111.43 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.535 HD23 ' HD2' ' A' ' 110' ' ' PRO . 0.6 OUTLIER -155.97 136.79 9.07 Favored Pre-proline 0 C--N 1.332 -0.191 0 CA-C-O 120.594 0.235 . . . . 0.0 110.647 179.947 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.535 ' HD2' HD23 ' A' ' 109' ' ' LEU . 59.2 Cg_endo -72.08 127.21 12.57 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.45 2.1 . . . . 0.0 112.375 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' CYS . . . . . 0.573 ' SG ' HD21 ' A' ' 116' ' ' LEU . 6.4 p -138.44 168.26 20.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.731 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.16 162.1 13.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.027 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.451 ' CZ ' ' HB3' ' A' ' 153' ' ' GLU . 15.6 t80 -57.91 -48.78 78.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.923 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.25 -50.63 70.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.7 -178.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.651 HG22 HD11 ' A' ' 119' ' ' LEU . 69.2 m -63.54 -40.6 97.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.821 0.343 . . . . 0.0 110.531 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.573 HD21 ' SG ' ' A' ' 111' ' ' CYS . 13.6 mt -57.65 -46.81 83.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.185 179.449 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.76 -35.23 74.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.373 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 7.6 tt -67.44 -51.78 47.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.898 0.38 . . . . 0.0 110.786 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.664 HD22 ' CD2' ' A' ' 177' ' ' PHE . 13.8 mt -60.56 -35.44 76.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.549 179.689 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.41 ' O ' HG22 ' A' ' 123' ' ' THR . . . -71.31 -52.32 13.77 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.344 179.47 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.479 ' HA ' HG13 ' A' ' 158' ' ' VAL . 28.1 t -53.53 -34.41 58.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.704 0.287 . . . . 0.0 111.457 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.435 ' CE2' ' HB3' ' A' ' 176' ' ' GLU . 16.3 m-85 -74.5 -43.73 54.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.722 0.296 . . . . 0.0 110.814 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' THR . . . . . 0.41 HG22 ' O ' ' A' ' 120' ' ' GLY . 0.5 OUTLIER -60.82 -40.27 92.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.393 179.777 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.503 HG23 HD12 ' A' ' 128' ' ' LEU . 27.8 mm -64.02 -47.93 88.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.23 179.357 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' GLN . . . . . 0.439 ' HA ' ' CE1' ' A' ' 162' ' ' HIS . 15.5 tp60 -58.21 -37.79 75.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.814 179.724 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 13.7 p -78.83 -26.54 44.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.311 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.85 -43.03 23.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.289 -179.245 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.503 HD12 HG23 ' A' ' 124' ' ' ILE . 1.2 mt -110.3 1.96 18.85 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.149 -178.467 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 78.1 -97.79 1.43 Allowed Glycine 0 C--N 1.331 0.255 0 C-N-CA 120.311 -0.947 . . . . 0.0 112.535 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 24.8 p30 -125.67 157.15 38.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.775 0.321 . . . . 0.0 110.763 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' TYR . . . . . 0.444 ' CE1' ' HD2' ' A' ' 163' ' ' LYS . 56.6 t80 -62.01 130.69 46.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -136.92 97.23 11.17 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.781 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -68.07 -25.39 37.88 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.499 2.132 . . . . 0.0 112.356 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.65 -30.99 59.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.973 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 81.1 mt -98.07 -45.46 6.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.974 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 36.8 m80 -109.62 168.98 9.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -104.83 -126.32 5.76 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.527 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 14.4 m -143.37 159.44 17.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.909 0.385 . . . . 0.0 111.08 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 64.0 28.68 14.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.025 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -86.09 -8.38 57.93 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.197 179.761 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 1.082 HG12 HD11 ' A' ' 146' ' ' LEU . 3.0 t -70.47 -19.01 21.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.757 0.313 . . . . 0.0 111.129 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 9.4 t -67.21 -13.96 62.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.394 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.41 -28.81 20.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.836 0.35 . . . . 0.0 110.814 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -80.58 145.37 31.78 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' LYS . . . . . 0.717 ' O ' HG11 ' A' ' 105' ' ' VAL . 0.1 OUTLIER -89.94 82.79 6.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.068 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 1.082 HD11 HG12 ' A' ' 141' ' ' VAL . 0.6 OUTLIER -89.93 -24.3 21.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.684 ' HB1' ' HD2' ' A' ' 148' ' ' PRO . . . -169.54 165.02 6.47 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.133 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 148' ' ' PRO . . . . . 0.684 ' HD2' ' HB1' ' A' ' 147' ' ' ALA . 56.8 Cg_endo -70.81 -44.41 1.38 Allowed 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.523 2.149 . . . . 0.0 112.283 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -108.33 68.75 0.7 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.827 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' GLN . . . . . 0.828 ' NE2' HD12 ' A' ' 146' ' ' LEU . 15.5 tt0 -75.48 119.9 20.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.983 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 59.7 p -113.66 164.15 14.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.745 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 2.7 pttm -49.34 -34.06 14.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.461 179.489 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 153' ' ' GLU . . . . . 0.451 ' HB3' ' CZ ' ' A' ' 113' ' ' PHE . 27.3 mm-40 -62.75 -55.99 21.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.543 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.945 ' O ' HG23 ' A' ' 158' ' ' VAL . 29.0 tp -59.21 -47.24 86.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.321 179.512 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -57.61 -53.89 53.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.731 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -57.18 -48.99 77.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 8.1 tptt -57.26 -33.97 68.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.279 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.945 HG23 ' O ' ' A' ' 154' ' ' LEU . 49.8 t -67.03 -46.63 84.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.924 0.392 . . . . 0.0 110.627 179.414 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 11.2 mtt -68.2 -42.43 79.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.836 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.29 -54.9 41.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.772 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.418 ' O ' ' CD2' ' A' ' 165' ' ' TYR . 52.8 mt -57.62 -38.48 75.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.656 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 162' ' ' HIS . . . . . 0.439 ' CE1' ' HA ' ' A' ' 125' ' ' GLN . 3.1 t-160 -60.28 -56.61 19.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.882 179.779 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 163' ' ' LYS . . . . . 0.444 ' HD2' ' CE1' ' A' ' 131' ' ' TYR . 18.0 mtpp -66.25 -33.2 75.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.077 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 10.9 p -67.99 -21.06 65.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.441 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 165' ' ' TYR . . . . . 0.418 ' CD2' ' O ' ' A' ' 161' ' ' LEU . 11.2 m-85 -74.05 125.65 28.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.848 0.356 . . . . 0.0 111.131 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.84 -159.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.547 179.683 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.85 72.76 0.17 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.966 0.412 . . . . 0.0 110.684 179.749 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 23.5 ttp -85.23 158.48 20.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.07 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 169' ' ' THR . . . . . 0.466 ' HB ' ' HD2' ' A' ' 170' ' ' PRO . 75.3 p -112.31 157.58 39.59 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.623 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 170' ' ' PRO . . . . . 0.466 ' HD2' ' HB ' ' A' ' 169' ' ' THR . 6.5 Cg_endo -48.67 -52.04 9.28 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.742 2.295 . . . . 0.0 112.225 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -48.97 -44.32 40.82 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.339 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.97 -44.42 87.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.492 179.741 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -64.98 -45.99 83.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.56 179.428 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.83 -41.32 82.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.556 179.518 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 9.7 tp -72.34 -37.73 68.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.542 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 176' ' ' GLU . . . . . 0.435 ' HB3' ' CE2' ' A' ' 122' ' ' TYR . 10.3 mm-40 -57.56 -54.55 45.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.271 -0.422 . . . . 0.0 112.102 -178.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 177' ' ' PHE . . . . . 0.664 ' CD2' HD22 ' A' ' 119' ' ' LEU . 9.3 t80 -70.46 -43.56 69.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.142 -179.55 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 178' ' ' LEU . . . . . 0.569 HD11 ' HG2' ' A' ' 93' ' ' ARG . 87.1 mt -61.52 -40.99 96.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.776 0.322 . . . . 0.0 110.953 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -69.54 -32.81 71.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.755 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -72.9 -49.98 26.44 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.333 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -62.05 -37.62 85.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.855 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 19.4 ttpp -68.13 -37.92 81.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.898 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.67 -21.01 52.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.228 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.3 mt -89.49 -0.61 57.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.428 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 11.2 p 59.03 35.29 23.93 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.878 0.37 . . . . 0.0 110.95 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 35.2 mmm -67.37 -15.04 63.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.211 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 187' ' ' TYR . . . . . 0.6 ' CE1' HD11 ' A' ' 100' ' ' LEU . 5.4 m-85 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.918 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.194 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.0 m -125.26 134.42 52.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.866 0.365 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 12.4 p-80 -170.92 136.57 1.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 2.3 ttp -88.15 137.19 32.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.32 114.1 30.24 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.37 -9.15 25.27 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.437 2.092 . . . . 0.0 112.625 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -96.93 24.17 6.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.766 0.317 . . . . 0.0 111.226 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -99.55 21.69 11.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.963 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -78.37 -49.72 13.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.814 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.2 m -66.34 -48.61 69.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.402 ' HA ' HG22 ' A' ' 92' ' ' THR . 14.9 mt-10 -53.95 -29.91 44.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.924 0.392 . . . . 0.0 110.682 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.27 -47.61 48.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.853 179.28 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 46.4 mm -60.77 -46.59 95.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.25 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.451 HG23 ' N ' ' A' ' 93' ' ' ARG . 10.9 t -62.56 -49.89 73.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.318 -179.576 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.613 ' CG ' HD11 ' A' ' 178' ' ' LEU . 0.8 OUTLIER -54.16 -48.18 71.18 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 111.628 0.233 . . . . 0.0 111.628 -178.819 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -57.78 -54.1 50.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.93 0.395 . . . . 0.0 110.877 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -63.55 -28.39 69.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.281 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' A' ' 96' ' ' LEU . 5.8 tp -68.46 -55.41 11.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.903 0.382 . . . . 0.0 110.768 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 60.7 m -54.59 -43.17 71.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.829 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 85.8 mt -59.61 -45.16 92.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -66.36 -48.57 69.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.032 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.626 HD21 ' HB3' ' A' ' 186' ' ' MET . 1.6 mt -61.18 -43.13 99.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.763 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.474 ' O ' HG22 ' A' ' 105' ' ' VAL . 0.0 OUTLIER -66.98 -28.46 68.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.21 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -71.37 -41.92 69.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.231 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -70.42 -41.55 72.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.26 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.423 HD12 ' HA ' ' A' ' 101' ' ' ARG . 11.6 mt -62.89 -52.9 53.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.403 -179.68 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.474 HG22 ' O ' ' A' ' 101' ' ' ARG . 34.0 m -57.82 -32.46 43.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.66 -179.698 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -79.99 -2.01 42.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.608 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 68.26 37.81 86.92 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.541 -0.837 . . . . 0.0 112.166 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 8.2 ttt-85 -93.93 4.18 54.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.485 0.183 . . . . 0.0 111.457 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -153.68 109.03 2.54 Favored Pre-proline 0 C--N 1.332 -0.19 0 CA-C-O 120.592 0.234 . . . . 0.0 110.607 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -50.66 128.59 24.38 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.519 2.146 . . . . 0.0 112.56 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 72.0 m -143.64 168.29 20.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.676 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.95 160.22 14.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.036 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.415 ' CZ ' ' HA ' ' A' ' 154' ' ' LEU . 14.6 t80 -58.31 -46.6 85.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.805 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.52 -42.04 77.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.588 -179.272 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.524 HG22 ' CD1' ' A' ' 119' ' ' LEU . 96.5 m -71.55 -37.52 71.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.928 0.394 . . . . 0.0 110.335 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.422 ' HA ' HD23 ' A' ' 116' ' ' LEU . 15.8 mt -61.16 -44.78 96.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.179 179.482 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.468 ' HB2' HD12 ' A' ' 154' ' ' LEU . . . -73.91 -34.77 64.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.321 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 8.2 tt -68.76 -51.92 35.99 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.866 0.365 . . . . 0.0 110.757 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.766 HD22 ' CD2' ' A' ' 177' ' ' PHE . 50.2 mt -65.57 -34.47 78.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.235 179.531 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.422 ' CA ' HD22 ' A' ' 146' ' ' LEU . . . -71.28 -49.93 24.05 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.156 179.439 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 11.4 t -57.84 -34.26 69.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.731 0.301 . . . . 0.0 111.212 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.406 ' CE2' ' CD ' ' A' ' 176' ' ' GLU . 15.6 m-85 -72.7 -42.09 64.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.702 179.768 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 19.4 m -60.16 -42.13 94.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.277 179.415 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.497 HG23 HD12 ' A' ' 128' ' ' LEU . 17.2 mm -62.55 -45.53 98.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.156 179.271 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' GLN . . . . . 0.432 ' HA ' ' CE1' ' A' ' 162' ' ' HIS . 7.8 tm0? -57.88 -36.62 72.65 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.589 179.536 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 19.4 m -78.37 -25.47 46.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.905 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -81.4 -40.6 23.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.629 -179.077 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.566 HD11 ' CE2' ' A' ' 144' ' ' PHE . 1.9 mt -114.35 0.29 14.07 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -178.247 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 85.97 -123.4 6.4 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.482 -0.866 . . . . 0.0 112.693 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.03 178.91 4.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.905 0.383 . . . . 0.0 111.023 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -90.37 126.0 35.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.955 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -121.05 93.27 48.84 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_exo -56.28 -28.01 69.58 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.557 2.171 . . . . 0.0 112.29 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -67.72 -31.24 71.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.964 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 65.1 mt -86.17 -17.28 35.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.245 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 61.83 86.26 0.11 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.842 0.354 . . . . 0.0 110.931 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -124.67 108.52 1.12 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.392 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 12.8 m -150.4 160.46 4.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.897 0.379 . . . . 0.0 111.189 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 66.53 13.01 9.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.498 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -82.58 -9.23 59.49 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.632 0.253 . . . . 0.0 111.236 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.723 ' CG1' HD11 ' A' ' 146' ' ' LEU . 6.0 t -70.06 -27.78 33.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.867 0.365 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 31.8 t -63.75 -14.37 51.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.474 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.46 -25.84 17.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.794 0.331 . . . . 0.0 110.723 179.63 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 144' ' ' PHE . . . . . 0.566 ' CE2' HD11 ' A' ' 128' ' ' LEU . 90.0 m-85 -95.2 124.18 39.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.803 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 145' ' ' LYS . . . . . 0.439 ' O ' HG11 ' A' ' 105' ' ' VAL . 0.0 OUTLIER -81.34 91.87 6.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.178 -179.829 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.723 HD11 ' CG1' ' A' ' 141' ' ' VAL . 2.2 mt -89.43 -23.41 22.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.057 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.553 ' HB1' ' HD2' ' A' ' 148' ' ' PRO . . . -164.24 160.56 16.38 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.111 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 148' ' ' PRO . . . . . 0.553 ' HD2' ' HB1' ' A' ' 147' ' ' ALA . 37.3 Cg_endo -66.33 -49.5 1.84 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.565 2.177 . . . . 0.0 112.263 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -105.35 69.1 0.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.789 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 150' ' ' GLN . . . . . 0.431 ' HA ' HD23 ' A' ' 154' ' ' LEU . 9.6 tt0 -67.47 117.16 9.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.006 -179.779 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 3.3 p -104.21 149.2 25.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.691 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -44.88 -41.68 7.34 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.879 0.371 . . . . 0.0 110.427 179.575 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -60.55 -41.17 94.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.343 179.496 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.913 ' O ' HG23 ' A' ' 158' ' ' VAL . 52.7 tp -69.22 -47.72 64.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.019 179.232 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -56.38 -52.57 64.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.731 179.604 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -53.44 -52.48 59.3 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.409 ' O ' HD12 ' A' ' 161' ' ' LEU . 2.4 tptt -57.17 -29.31 63.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.969 -179.291 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.913 HG23 ' O ' ' A' ' 154' ' ' LEU . 49.1 t -67.02 -49.76 70.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.899 0.381 . . . . 0.0 110.434 179.228 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 159' ' ' MET . . . . . 0.407 ' HG3' HG21 ' A' ' 141' ' ' VAL . 11.3 mtt -68.34 -42.88 78.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.75 179.631 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -59.21 -51.28 70.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.774 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.41 ' O ' ' CD2' ' A' ' 165' ' ' TYR . 22.3 mt -59.83 -38.13 81.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.776 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 162' ' ' HIS . . . . . 0.432 ' CE1' ' HA ' ' A' ' 125' ' ' GLN . 3.2 t-160 -58.64 -56.63 19.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.82 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 12.6 tttp -65.13 -30.83 71.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 6.3 p -60.82 -23.71 65.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.18 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 165' ' ' TYR . . . . . 0.41 ' CD2' ' O ' ' A' ' 161' ' ' LEU . 18.8 m-85 -93.32 138.39 31.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.776 0.322 . . . . 0.0 110.938 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 10.6 ptt180 -158.98 142.41 14.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.825 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 76.74 35.74 0.38 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.782 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 11.8 ttp -121.49 152.4 39.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.696 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 27.2 p -101.63 163.03 18.63 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.978 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -57.96 -50.4 10.3 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.603 2.202 . . . . 0.0 111.999 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -49.8 -42.42 46.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.424 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.86 -42.86 85.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.668 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -68.78 -42.37 77.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.746 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.37 -42.68 96.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.233 0.54 . . . . 0.0 110.722 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 12.4 tp -72.67 -27.41 62.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.814 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 176' ' ' GLU . . . . . 0.497 ' HG3' ' N ' ' A' ' 177' ' ' PHE . 0.0 OUTLIER -70.14 -51.05 34.45 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -178.575 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 177' ' ' PHE . . . . . 0.766 ' CD2' HD22 ' A' ' 119' ' ' LEU . 7.2 t80 -72.09 -40.4 68.25 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.459 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 178' ' ' LEU . . . . . 0.613 HD11 ' CG ' ' A' ' 93' ' ' ARG . 35.7 mt -61.23 -41.14 96.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.307 179.503 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.05 -32.31 70.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.757 179.444 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 180' ' ' ASN . . . . . 0.801 ' O ' HD12 ' A' ' 184' ' ' LEU . 5.0 m-80 -70.88 -49.92 40.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.922 179.245 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 181' ' ' ALA . . . . . 0.43 ' HB1' ' HB2' ' A' ' 186' ' ' MET . . . -61.72 -37.59 84.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.749 179.539 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 182' ' ' LYS . . . . . 0.42 ' HB2' ' O ' ' A' ' 178' ' ' LEU . 0.0 OUTLIER -66.33 -35.89 81.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.37 179.529 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 10.0 ttmt -70.35 -19.16 63.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.045 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.801 HD12 ' O ' ' A' ' 180' ' ' ASN . 1.0 OUTLIER -106.66 9.47 31.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.822 -179.437 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 1.5 m 56.39 52.25 10.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.817 0.341 . . . . 0.0 111.263 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 186' ' ' MET . . . . . 0.626 ' HB3' HD21 ' A' ' 100' ' ' LEU . 61.4 mtp -99.65 27.32 5.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.782 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 187' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.281 -0.866 . . . . 0.0 110.868 -179.821 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.416 ' HA ' HG22 ' A' ' 92' ' ' THR . 1.3 mt-10 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.869 0.366 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -72.55 -47.83 45.08 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 49.9 mm -59.03 -46.39 91.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.022 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.454 HG23 ' N ' ' A' ' 93' ' ' ARG . 8.3 t -64.52 -50.83 65.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.745 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.699 ' CG ' HD11 ' A' ' 178' ' ' LEU . 0.6 OUTLIER -54.5 -51.19 65.88 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.544 0.211 . . . . 0.0 111.344 -179.077 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -53.56 -55.24 27.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.845 0.355 . . . . 0.0 111.048 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.518 ' HA ' HD12 ' A' ' 98' ' ' LEU . 3.7 m-85 -59.63 -43.25 93.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.484 HD21 ' CE2' ' A' ' 187' ' ' TYR . 5.2 tp -51.63 -55.57 18.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.293 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 2.2 t -57.94 -41.23 82.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.923 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.518 HD12 ' HA ' ' A' ' 95' ' ' TYR . 34.7 mt -60.98 -48.89 79.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.012 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -66.72 -48.7 68.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.4 mt -57.43 -52.04 67.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.05 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.799 ' HA ' HD12 ' A' ' 104' ' ' ILE . 19.5 ttp-105 -63.25 -28.84 70.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.029 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -71.19 -39.35 71.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.851 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -69.38 -35.57 75.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.799 HD12 ' HA ' ' A' ' 101' ' ' ARG . 10.5 mt -67.73 -52.97 34.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.346 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 31.6 m -57.89 -32.37 43.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.643 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -85.91 -3.33 58.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.648 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 67.27 34.36 85.38 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.327 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -82.23 0.95 38.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.574 0.226 . . . . 0.0 111.417 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.467 HD23 ' N ' ' A' ' 110' ' ' PRO . 4.9 tt -151.31 132.72 7.78 Favored Pre-proline 0 C--N 1.331 -0.207 0 CA-C-O 120.557 0.218 . . . . 0.0 110.714 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.467 ' N ' HD23 ' A' ' 109' ' ' LEU . 44.0 Cg_endo -67.95 121.64 8.68 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.393 2.062 . . . . 0.0 112.244 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 58.8 m -138.63 168.28 20.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.677 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 72.9 m -102.74 163.36 12.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.07 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.403 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 18.2 t80 -55.92 -46.99 78.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.957 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.05 -48.25 76.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.686 -178.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.553 HG22 ' CD1' ' A' ' 119' ' ' LEU . 74.9 m -65.35 -39.98 93.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.842 0.353 . . . . 0.0 110.578 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 116' ' ' LEU . 14.6 mt -57.79 -47.16 83.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.048 0.452 . . . . 0.0 110.124 179.433 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.83 -35.1 72.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.657 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 7.7 tt -69.73 -52.28 26.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.795 0.331 . . . . 0.0 111.086 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.553 ' CD1' HG22 ' A' ' 115' ' ' THR . 43.7 mt -62.02 -34.95 77.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.042 0.448 . . . . 0.0 110.415 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.421 ' O ' HG12 ' A' ' 124' ' ' ILE . . . -71.17 -50.65 21.43 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.666 -0.778 . . . . 0.0 111.929 179.275 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 35.0 m -53.56 -34.61 58.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.655 0.264 . . . . 0.0 111.325 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.4 ' CE1' ' HG3' ' A' ' 176' ' ' GLU . 14.6 m-85 -73.8 -46.53 44.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.807 0.337 . . . . 0.0 110.834 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . 0.5 HG21 ' HD3' ' A' ' 101' ' ' ARG . 83.3 m -61.28 -39.8 91.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.679 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.651 ' O ' HD12 ' A' ' 128' ' ' LEU . 29.3 mm -63.55 -50.84 76.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.694 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . 0.409 ' O ' ' CA ' ' A' ' 129' ' ' GLY . 0.0 OUTLIER -59.19 -35.23 73.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 12.8 t -78.83 -25.31 44.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.05 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.91 -41.96 22.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.056 -179.326 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.658 HD11 ' CE2' ' A' ' 144' ' ' PHE . 1.2 mp -110.01 -0.23 18.19 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.218 -178.416 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.409 ' CA ' ' O ' ' A' ' 125' ' ' GLN . . . . . . . . 0 N--CA 1.448 -0.515 0 C-N-CA 120.515 -0.85 . . . . 0.0 112.384 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.944 ' CG1' HD11 ' A' ' 146' ' ' LEU . 21.0 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.831 0.348 . . . . 0.0 111.288 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.4 m -63.01 -14.28 45.9 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.649 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -83.92 -22.33 31.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.692 0.282 . . . . 0.0 111.183 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' PHE . . . . . 0.658 ' CE2' HD11 ' A' ' 128' ' ' LEU . 78.1 m-85 -114.12 119.77 38.26 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.949 0.405 . . . . 0.0 111.206 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 12.2 mtmt -75.52 102.42 5.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.104 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.944 HD11 ' CG1' ' A' ' 141' ' ' VAL . 0.6 OUTLIER -88.1 -19.26 27.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.297 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.712 ' HB1' ' HD2' ' A' ' 148' ' ' PRO . . . -175.17 165.78 2.07 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-O 120.766 0.317 . . . . 0.0 111.115 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' PRO . . . . . 0.712 ' HD2' ' HB1' ' A' ' 147' ' ' ALA . 58.7 Cg_endo -71.62 -42.36 1.82 Allowed 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.562 2.174 . . . . 0.0 112.324 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -106.57 70.86 0.84 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.807 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . 0.784 ' NE2' HD12 ' A' ' 146' ' ' LEU . 19.3 tt0 -80.8 120.92 25.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.033 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 2.9 p -120.0 167.95 11.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.845 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -48.17 -35.74 12.25 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.606 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . 0.403 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 0.3 OUTLIER -62.69 -58.72 6.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.657 179.85 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.932 ' O ' HG23 ' A' ' 158' ' ' VAL . 51.9 tp -59.41 -43.33 93.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.404 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -59.14 -54.03 51.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.57 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -52.97 -51.19 62.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.94 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 16.6 tptt -57.75 -31.24 66.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.15 -179.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.932 HG23 ' O ' ' A' ' 154' ' ' LEU . 63.1 t -67.01 -52.84 39.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.863 0.363 . . . . 0.0 110.927 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 7.7 mtt -68.33 -39.75 81.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.17 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.93 -55.12 38.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.064 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 10.0 mt -59.47 -38.91 82.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.987 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -55.76 -54.87 39.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.979 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 11.4 mtpp -74.47 -26.28 59.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.948 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 36.6 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.284 -179.808 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . 0.427 ' HB ' ' HD2' ' A' ' 170' ' ' PRO . 23.7 p . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.668 0.27 . . . . 0.0 110.739 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . 0.427 ' HD2' ' HB ' ' A' ' 169' ' ' THR . 10.0 Cg_endo -53.28 -52.95 7.53 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.646 2.23 . . . . 0.0 111.944 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -50.97 -38.55 51.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.291 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.91 -44.72 86.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.581 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -65.91 -46.06 79.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.656 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -57.31 -42.62 82.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.178 0.513 . . . . 0.0 110.6 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 14.1 tp -72.39 -30.84 65.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.128 179.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 176' ' ' GLU . . . . . 0.4 ' HG3' ' CE1' ' A' ' 122' ' ' TYR . 8.0 mm-40 -61.27 -52.81 63.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.879 -179.158 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -71.6 -44.4 64.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.606 0.241 . . . . 0.0 110.828 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 178' ' ' LEU . . . . . 0.699 HD11 ' CG ' ' A' ' 93' ' ' ARG . 40.0 mt -61.01 -42.78 99.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.894 0.378 . . . . 0.0 110.573 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -68.04 -32.22 72.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.766 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.55 -49.52 32.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.24 179.478 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -61.69 -37.87 85.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.888 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 2.3 mtpm? -71.64 -32.4 67.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.766 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 14.9 mtmt -74.95 -21.35 59.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.052 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.409 HD23 ' N ' ' A' ' 184' ' ' LEU . 1.8 mt -95.91 -13.0 24.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.353 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 14.0 m 66.54 44.72 2.24 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.912 0.386 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 35.5 mtp -68.9 -32.46 72.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 187' ' ' TYR . . . . . 0.484 ' CE2' HD21 ' A' ' 96' ' ' LEU . 5.0 p90 . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.41 ' O ' ' HB2' ' A' ' 93' ' ' ARG . 11.0 mt-10 . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.904 0.383 . . . . 0.0 110.712 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -71.96 -47.68 50.47 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.892 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 47.2 mm -60.76 -46.38 96.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.324 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.456 HG23 ' N ' ' A' ' 93' ' ' ARG . 9.3 t -62.61 -50.26 71.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.243 -179.515 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.769 ' CG ' HD11 ' A' ' 178' ' ' LEU . 0.0 OUTLIER -54.39 -50.95 66.34 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.612 0.244 . . . . 0.0 111.566 -178.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -54.59 -52.41 62.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.939 0.4 . . . . 0.0 111.023 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -66.11 -28.39 68.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.284 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.434 HD21 ' CE2' ' A' ' 187' ' ' TYR . 6.0 tp -68.95 -55.26 11.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.892 0.377 . . . . 0.0 110.848 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 57.1 m -55.46 -44.38 76.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.868 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 78.7 mt -57.27 -49.91 74.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.015 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -63.05 -46.37 87.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.113 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.562 HD11 ' CD1' ' A' ' 187' ' ' TYR . 3.4 mt -60.58 -46.2 91.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.973 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.568 ' O ' HG13 ' A' ' 105' ' ' VAL . 0.0 OUTLIER -64.78 -28.29 69.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.205 -179.919 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.31 -41.33 70.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.159 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.91 -41.41 71.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.301 -179.607 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.435 HD12 ' HA ' ' A' ' 101' ' ' ARG . 12.0 mt -63.25 -49.97 80.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.391 -179.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.568 HG13 ' O ' ' A' ' 101' ' ' ARG . 34.0 m -60.6 -32.49 51.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.582 -179.693 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -80.91 -1.75 44.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.587 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 69.12 33.06 73.3 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.29 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 36.1 mtp85 -83.5 2.38 37.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.497 0.189 . . . . 0.0 111.447 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.643 HD23 ' HD2' ' A' ' 110' ' ' PRO . 0.3 OUTLIER -155.73 134.88 7.76 Favored Pre-proline 0 C--N 1.332 -0.194 0 CA-C-O 120.517 0.199 . . . . 0.0 110.637 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.643 ' HD2' HD23 ' A' ' 109' ' ' LEU . 56.0 Cg_endo -70.28 125.97 12.46 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.39 2.06 . . . . 0.0 112.406 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 13.4 m -139.49 168.27 20.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.698 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 21.0 t -102.37 162.26 13.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.1 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -56.76 -46.95 81.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.996 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.26 -48.58 76.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.647 -178.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.632 HG22 ' CD1' ' A' ' 119' ' ' LEU . 88.1 m -64.97 -40.22 94.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.806 0.336 . . . . 0.0 110.518 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 116' ' ' LEU . 28.1 mt -57.9 -46.81 84.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.121 179.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.5 -35.05 73.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.363 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 6.9 tt -68.15 -51.99 39.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.821 0.343 . . . . 0.0 110.934 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.632 ' CD1' HG22 ' A' ' 115' ' ' THR . 16.8 mt -61.57 -35.0 76.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.094 0.473 . . . . 0.0 110.467 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.422 ' CA ' HD22 ' A' ' 146' ' ' LEU . . . -71.26 -51.67 16.6 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.151 179.401 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 50.2 m -53.72 -35.34 61.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.645 0.26 . . . . 0.0 111.509 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.427 ' CE2' ' HB3' ' A' ' 176' ' ' GLU . 14.6 m-85 -73.85 -44.61 55.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.754 0.311 . . . . 0.0 110.874 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 90.0 m -59.63 -42.76 93.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.551 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.508 HG23 HD12 ' A' ' 128' ' ' LEU . 19.7 mm -62.55 -47.64 92.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.281 179.31 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . 0.418 ' HA ' ' CE1' ' A' ' 162' ' ' HIS . 9.0 tp60 -58.52 -37.82 76.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.776 179.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.65 -26.28 45.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.115 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.24 -41.32 25.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.353 -179.183 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.508 HD12 HG23 ' A' ' 124' ' ' ILE . 1.5 mt -112.22 1.19 16.07 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -178.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 0.212 0 C-N-CA 120.414 -0.898 . . . . 0.0 112.748 179.726 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.823 ' CG1' HD11 ' A' ' 146' ' ' LEU . 10.5 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.787 0.327 . . . . 0.0 111.093 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 25.6 t -63.14 -14.22 46.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.517 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.94 -27.26 18.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.856 0.36 . . . . 0.0 110.777 179.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -90.59 126.91 36.1 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . 0.416 ' O ' HG11 ' A' ' 105' ' ' VAL . 0.1 OUTLIER -82.5 91.87 6.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.049 -179.91 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.823 HD11 ' CG1' ' A' ' 141' ' ' VAL . 1.4 mt -88.28 -21.82 24.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.239 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.67 ' HB1' ' HD2' ' A' ' 148' ' ' PRO . . . -165.28 165.12 11.95 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.044 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' PRO . . . . . 0.67 ' HD2' ' HB1' ' A' ' 147' ' ' ALA . 49.8 Cg_endo -69.14 -46.71 1.36 Allowed 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.454 2.102 . . . . 0.0 112.282 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -107.75 65.89 0.65 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.803 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . 0.465 ' NE2' HD12 ' A' ' 146' ' ' LEU . 55.9 tt0 -65.32 116.6 6.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.97 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 3.0 t -112.46 158.29 20.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.896 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 17.1 mttm -44.75 -42.16 7.48 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.405 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -57.8 -47.08 83.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.73 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.934 ' O ' HG23 ' A' ' 158' ' ' VAL . 42.6 tp -65.82 -42.34 90.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.351 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -59.64 -53.9 52.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.663 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -54.94 -51.31 66.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.025 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.5 -30.97 65.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.171 -179.139 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.934 HG23 ' O ' ' A' ' 154' ' ' LEU . 89.7 t -67.04 -49.88 69.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.881 0.372 . . . . 0.0 110.587 179.406 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 10.0 mtt -68.45 -41.39 80.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.069 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -61.72 -55.2 32.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.099 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 61.4 mt -57.03 -41.55 78.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.974 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 162' ' ' HIS . . . . . 0.418 ' CE1' ' HA ' ' A' ' 125' ' ' GLN . 3.5 t-160 -57.57 -56.83 16.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.02 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 8.1 tttm -67.52 -30.17 69.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.05 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 41.6 p . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.318 -179.851 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.719 0.295 . . . . 0.0 110.73 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -56.49 -50.77 10.87 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.439 2.093 . . . . 0.0 111.79 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -55.95 -38.18 69.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.217 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -57.81 -42.94 85.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.603 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -68.7 -45.05 72.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.591 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -57.47 -41.11 79.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.56 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 13.8 tp -72.47 -32.36 66.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.264 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 176' ' ' GLU . . . . . 0.427 ' HB3' ' CE2' ' A' ' 122' ' ' TYR . 8.6 mm-40 -61.16 -54.54 43.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.944 -179.077 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 177' ' ' PHE . . . . . 0.412 ' CD2' HD22 ' A' ' 119' ' ' LEU . 10.3 t80 -70.95 -40.09 72.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.639 0.257 . . . . 0.0 110.665 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 178' ' ' LEU . . . . . 0.769 HD11 ' CG ' ' A' ' 93' ' ' ARG . 21.4 mt -62.82 -42.73 99.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.796 0.332 . . . . 0.0 110.584 179.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -67.73 -32.6 73.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.726 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -72.68 -49.5 31.08 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.319 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -62.37 -37.96 87.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.153 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 182' ' ' LYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 178' ' ' LEU . 2.0 ttmm -70.21 -35.14 73.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.861 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 3.8 mtmm -74.11 -20.48 60.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.047 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.8 mt -94.5 -10.19 33.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.314 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 28.9 t 61.85 79.33 0.26 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.81 0.338 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 186' ' ' MET . . . . . 0.556 ' HB2' HD21 ' A' ' 100' ' ' LEU . 24.2 mtp -113.91 -36.26 4.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 187' ' ' TYR . . . . . 0.562 ' CD1' HD11 ' A' ' 100' ' ' LEU . 9.8 p90 . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.549 ' HA ' HG22 ' A' ' 92' ' ' THR . 6.3 tp10 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.009 0.433 . . . . 0.0 110.588 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -71.98 -47.84 49.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.527 179.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 40.2 mm -62.98 -47.11 94.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.149 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.549 HG22 ' HA ' ' A' ' 89' ' ' GLU . 11.1 t -62.5 -51.12 68.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 -179.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.479 ' N ' HG23 ' A' ' 92' ' ' THR . 14.1 ttp-105 -54.51 -44.52 72.8 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.601 0.239 . . . . 0.0 111.607 -179.011 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -59.0 -53.15 61.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.927 0.394 . . . . 0.0 110.688 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -65.32 -28.31 69.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.12 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.9 tp -68.07 -55.24 13.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.762 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.37 -41.54 76.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.745 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 85.1 mt -60.89 -41.94 97.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.836 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -68.6 -48.05 65.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.96 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.407 HD11 ' CZ ' ' A' ' 187' ' ' TYR . 2.3 mt -61.7 -44.93 95.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.738 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.615 ' O ' HG22 ' A' ' 105' ' ' VAL . 2.6 tmm_? -66.94 -28.61 68.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.141 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -71.32 -39.0 71.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.966 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -70.95 -39.35 72.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.107 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.614 HD12 ' HA ' ' A' ' 101' ' ' ARG . 9.3 mt -65.24 -53.1 44.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.392 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.615 HG22 ' O ' ' A' ' 101' ' ' ARG . 23.6 m -60.52 -32.32 51.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.56 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.02 -3.42 42.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.64 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 68.81 32.88 74.4 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.37 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.7 mtp180 -92.47 4.35 53.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.571 0.224 . . . . 0.0 111.386 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -153.67 113.83 2.6 Favored Pre-proline 0 C--N 1.332 -0.174 0 CA-C-O 120.565 0.222 . . . . 0.0 110.712 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -53.16 130.17 36.89 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.484 2.123 . . . . 0.0 112.425 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 39.2 m -143.32 168.25 20.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.727 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.53 164.62 11.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.071 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -59.32 -49.58 77.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.878 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.12 -46.05 79.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.579 -179.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.623 HG22 ' CD1' ' A' ' 119' ' ' LEU . 98.2 m -67.42 -38.98 85.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.88 0.371 . . . . 0.0 110.332 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 22.4 mt -58.98 -46.12 88.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.157 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.472 ' HB1' ' HB3' ' A' ' 157' ' ' LYS . . . -71.8 -34.78 69.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.446 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 8.2 tt -68.64 -51.9 37.09 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.875 0.369 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.623 ' CD1' HG22 ' A' ' 115' ' ' THR . 19.7 mt -62.58 -34.46 77.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.307 179.566 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.424 ' O ' HG12 ' A' ' 124' ' ' ILE . . . -71.51 -52.34 13.18 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.03 179.332 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.469 ' OG ' HD12 ' A' ' 161' ' ' LEU . 49.6 m -53.67 -34.48 58.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.624 0.25 . . . . 0.0 111.425 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.422 ' CE2' ' HB3' ' A' ' 176' ' ' GLU . 17.1 m-85 -73.5 -47.18 43.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.795 0.331 . . . . 0.0 110.86 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 77.0 m -59.96 -39.91 87.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.736 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.592 ' O ' HD12 ' A' ' 128' ' ' LEU . 29.2 mm -63.85 -49.53 81.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.521 179.557 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . 0.405 ' HA ' ' CE1' ' A' ' 162' ' ' HIS . 2.1 tp60 -58.43 -37.48 75.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.656 179.709 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 10.7 p -78.84 -25.83 44.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.082 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.3 -38.73 30.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.296 -179.088 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.592 HD12 ' O ' ' A' ' 124' ' ' ILE . 1.3 mp -115.22 0.49 13.55 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.011 -0.54 . . . . 0.0 112.374 -178.089 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.494 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.37 -179.98 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.877 ' CG1' HD11 ' A' ' 146' ' ' LEU . 23.7 t . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.827 0.346 . . . . 0.0 111.082 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 16.8 t -63.12 -14.26 46.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.667 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -87.29 -27.8 22.68 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.766 0.317 . . . . 0.0 110.872 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' PHE . . . . . 0.405 ' CE1' HD11 ' A' ' 128' ' ' LEU . 87.3 m-85 -96.99 122.7 40.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . 0.502 ' O ' HG11 ' A' ' 105' ' ' VAL . 8.2 mttt -76.32 96.5 3.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.05 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.997 HD13 HG21 ' A' ' 158' ' ' VAL . 5.7 mt -85.09 -22.48 28.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.193 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.699 ' HB1' ' HD2' ' A' ' 148' ' ' PRO . . . -170.73 165.45 5.08 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.181 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' PRO . . . . . 0.699 ' HD2' ' HB1' ' A' ' 147' ' ' ALA . 48.0 Cg_endo -68.56 -38.39 11.06 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.565 2.177 . . . . 0.0 112.215 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -115.39 65.84 0.69 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.772 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -68.83 119.87 13.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 7.3 t -115.02 161.31 18.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.906 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -45.07 -43.59 9.61 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.298 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -56.49 -47.63 78.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.751 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.933 ' O ' HG23 ' A' ' 158' ' ' VAL . 48.2 tp -66.85 -39.13 87.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.362 179.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -60.83 -53.98 50.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.65 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -54.59 -50.93 66.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.064 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.472 ' HB3' ' HB1' ' A' ' 117' ' ' ALA . 12.2 tptt -57.59 -33.11 67.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.37 -179.037 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.997 HG21 HD13 ' A' ' 146' ' ' LEU . 98.8 t -67.05 -51.55 53.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.798 0.332 . . . . 0.0 110.975 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 9.3 mtt -68.25 -42.25 79.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.267 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -62.38 -49.05 77.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.107 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.469 HD12 ' OG ' ' A' ' 121' ' ' SER . 63.9 mt -61.41 -42.19 98.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.012 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 162' ' ' HIS . . . . . 0.405 ' CE1' ' HA ' ' A' ' 125' ' ' GLN . 8.0 t-160 -57.61 -56.71 18.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.063 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -69.13 -29.59 67.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.006 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 41.7 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.207 -179.815 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.711 0.291 . . . . 0.0 110.758 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -55.31 -51.62 9.63 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.508 2.139 . . . . 0.0 111.718 179.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -53.66 -40.29 65.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.307 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -57.84 -45.62 85.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.621 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -65.32 -44.08 88.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.503 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -58.13 -40.47 81.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.48 179.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 175' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 175' ' ' LEU . 9.2 tp -72.47 -33.34 66.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.381 179.52 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 176' ' ' GLU . . . . . 0.422 ' HB3' ' CE2' ' A' ' 122' ' ' TYR . 8.6 mm-40 -61.07 -54.58 42.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 112.019 -179.011 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -70.44 -44.3 68.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.648 0.261 . . . . 0.0 110.784 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 178' ' ' LEU . . . . . 0.424 HD11 ' HG3' ' A' ' 93' ' ' ARG . 36.8 mt -60.46 -41.38 94.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.893 0.378 . . . . 0.0 110.567 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -68.17 -32.56 72.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.698 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -73.31 -49.61 26.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.458 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -61.09 -37.72 83.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.047 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 182' ' ' LYS . . . . . 0.437 ' HG3' ' CE1' ' A' ' 187' ' ' TYR . 26.7 mttt -74.04 -31.04 62.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.038 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 8.1 ttpt -77.47 -22.82 50.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.134 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.5 mt -87.96 -10.2 51.21 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.287 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.2 34.05 11.24 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.815 0.34 . . . . 0.0 110.83 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 19.5 ptm -101.83 27.57 6.38 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 187' ' ' TYR . . . . . 0.437 ' CE1' ' HG3' ' A' ' 182' ' ' LYS . 2.7 m-85 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.553 ' HA ' HG22 ' A' ' 92' ' ' THR . 2.8 mt-10 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.927 0.394 . . . . 0.0 110.662 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -70.49 -47.72 59.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.63 179.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 39.5 mm -63.29 -48.6 86.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.235 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.553 HG22 ' HA ' ' A' ' 89' ' ' GLU . 11.6 t -60.48 -50.89 71.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.205 -179.503 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.7 ' HG3' HD11 ' A' ' 178' ' ' LEU . 37.3 ttp180 -54.71 -46.31 74.17 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.646 0.26 . . . . 0.0 111.624 -179.06 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -56.98 -52.33 65.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.934 0.397 . . . . 0.0 110.901 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -67.21 -28.42 68.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.192 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.1 tp -68.08 -55.23 13.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.817 0.342 . . . . 0.0 110.791 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 4.9 t -58.12 -41.34 83.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.841 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.414 ' HA ' HD23 ' A' ' 98' ' ' LEU . 19.7 mt -58.81 -46.38 87.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -66.31 -43.21 86.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.944 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.442 HD11 ' CE1' ' A' ' 187' ' ' TYR . 7.3 mt -64.1 -42.53 96.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.793 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.519 ' HA ' HD12 ' A' ' 104' ' ' ILE . 0.0 OUTLIER -68.14 -28.52 67.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.095 179.908 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -71.39 -40.27 70.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.95 0.405 . . . . 0.0 110.851 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -71.05 -37.12 72.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.306 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.519 HD12 ' HA ' ' A' ' 101' ' ' ARG . 10.7 mt -68.14 -52.54 37.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.461 -179.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.505 HG22 ' O ' ' A' ' 101' ' ' ARG . 31.2 m -60.02 -32.07 49.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.488 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -79.01 -2.97 42.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.54 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 71.26 25.71 74.96 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.506 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 2.2 tpt85 -83.81 1.6 42.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.548 0.213 . . . . 0.0 111.393 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.407 HD22 ' SD ' ' A' ' 186' ' ' MET . 0.7 OUTLIER -151.74 132.91 7.75 Favored Pre-proline 0 C--N 1.332 -0.171 0 CA-C-O 120.563 0.22 . . . . 0.0 110.675 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.43 127.9 13.86 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.426 2.084 . . . . 0.0 112.379 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 12.8 m -140.17 168.36 19.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.707 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.5 p -102.08 165.45 11.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.092 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.449 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 18.1 t80 -59.84 -51.57 69.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.844 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.27 -45.17 80.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.573 -179.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.593 HG22 HD11 ' A' ' 119' ' ' LEU . 88.7 m -67.21 -39.81 86.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.831 0.348 . . . . 0.0 110.379 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 116' ' ' LEU . 17.1 mt -58.35 -47.65 83.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.102 179.403 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.69 -35.17 74.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.371 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.422 ' HG ' ' CE2' ' A' ' 122' ' ' TYR . 7.3 tt -67.49 -51.89 45.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.827 0.346 . . . . 0.0 110.782 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.593 HD11 HG22 ' A' ' 115' ' ' THR . 15.4 mt -61.19 -33.83 74.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.307 179.531 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.429 ' O ' HG12 ' A' ' 124' ' ' ILE . . . -71.32 -51.9 15.45 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.125 179.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 19.7 p -53.54 -35.23 60.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.573 0.225 . . . . 0.0 111.499 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.44 ' CE2' ' HB3' ' A' ' 176' ' ' GLU . 19.1 m-85 -74.19 -43.13 58.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.721 0.296 . . . . 0.0 110.676 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 64.6 m -63.28 -40.14 96.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.501 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.569 HG23 ' CD1' ' A' ' 128' ' ' LEU . 27.2 mm -62.95 -49.73 82.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.386 179.492 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -57.93 -36.82 73.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.826 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.59 -23.42 46.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.07 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -82.28 -43.94 16.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.151 -179.305 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.569 ' CD1' HG23 ' A' ' 124' ' ' ILE . 1.4 mp -110.38 1.22 18.28 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.359 -178.166 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.248 0 C-N-CA 120.438 -0.887 . . . . 0.0 112.766 179.765 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.972 HG12 HD11 ' A' ' 146' ' ' LEU . 13.9 t . . . . . 0 CA--C 1.528 0.13 0 CA-C-O 120.841 0.353 . . . . 0.0 110.969 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 21.6 p -64.86 -14.08 58.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.551 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.85 -27.88 28.4 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.813 0.34 . . . . 0.0 110.866 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -96.57 130.53 43.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.956 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . 0.501 ' O ' HG11 ' A' ' 105' ' ' VAL . 3.5 mtmp? -77.25 93.24 3.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.984 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.972 HD11 HG12 ' A' ' 141' ' ' VAL . 0.8 OUTLIER -82.59 -24.11 34.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.101 -179.904 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.74 ' HB1' ' HD2' ' A' ' 148' ' ' PRO . . . -174.4 166.55 2.34 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.06 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' PRO . . . . . 0.74 ' HD2' ' HB1' ' A' ' 147' ' ' ALA . 50.4 Cg_endo -69.0 -40.06 7.06 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.515 2.143 . . . . 0.0 112.312 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -112.93 66.94 0.65 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . 0.817 ' NE2' HD12 ' A' ' 146' ' ' LEU . 13.7 tt0 -72.91 120.13 18.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.943 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 1.2 t -115.64 160.96 19.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.01 -43.52 9.27 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.265 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . 0.449 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 2.4 mt-10 -56.73 -50.63 71.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.762 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.927 ' O ' HG23 ' A' ' 158' ' ' VAL . 54.9 tp -64.46 -39.56 94.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.475 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -60.46 -54.09 49.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.682 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -55.01 -49.57 71.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.55 -33.06 67.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.2 -179.313 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.927 HG23 ' O ' ' A' ' 154' ' ' LEU . 84.9 t -67.05 -48.88 77.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.873 0.368 . . . . 0.0 110.717 179.549 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 10.2 mtt -68.46 -40.05 81.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.06 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.56 -52.09 67.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 12.0 mt -63.15 -36.23 82.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.721 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 14.0 t-160 -61.39 -56.56 18.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.706 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 4.8 tttp -67.12 -29.38 69.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.682 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.133 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . 0.404 ' HB ' ' HD2' ' A' ' 170' ' ' PRO . 5.9 p . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.62 0.248 . . . . 0.0 110.624 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . 0.404 ' HD2' ' HB ' ' A' ' 169' ' ' THR . 9.2 Cg_endo -52.5 -53.46 6.84 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.392 2.062 . . . . 0.0 111.695 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -53.12 -39.8 63.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.437 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -57.77 -43.68 85.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.652 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -66.37 -43.03 87.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.53 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.05 -42.25 94.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.512 179.478 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 12.6 tp -72.48 -32.28 66.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.033 179.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 176' ' ' GLU . . . . . 0.44 ' HB3' ' CE2' ' A' ' 122' ' ' TYR . 7.5 mm-40 -60.44 -54.39 46.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.785 -179.176 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 177' ' ' PHE . . . . . 0.467 ' CD2' HD22 ' A' ' 119' ' ' LEU . 16.6 t80 -68.62 -46.56 68.91 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 121.126 -0.23 . . . . 0.0 110.711 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 178' ' ' LEU . . . . . 0.7 HD11 ' HG3' ' A' ' 93' ' ' ARG . 19.6 mt -59.27 -38.8 81.02 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.9 0.381 . . . . 0.0 110.438 179.745 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -67.7 -34.42 76.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.844 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -73.75 -49.52 25.1 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.504 179.558 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -61.42 -38.07 85.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.641 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 17.2 mtmt -69.6 -35.38 75.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.784 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 4.6 ttmm -77.51 -22.3 51.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.08 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.5 mt -92.36 -3.93 54.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.396 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 2.1 m 62.16 42.87 9.17 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.856 0.36 . . . . 0.0 110.934 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 186' ' ' MET . . . . . 0.407 ' SD ' HD22 ' A' ' 109' ' ' LEU . 33.4 mmm -75.7 -14.32 60.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.179 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 187' ' ' TYR . . . . . 0.442 ' CE1' HD11 ' A' ' 100' ' ' LEU . 8.9 m-85 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.876 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.515 ' HA ' HG22 ' A' ' 92' ' ' THR . 13.3 tt0 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.796 0.332 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -71.42 -48.58 48.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.349 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 15.6 mt -67.64 -46.35 83.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.266 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.515 HG22 ' HA ' ' A' ' 89' ' ' GLU . 12.0 t -56.09 -52.49 64.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.546 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.486 ' N ' HG23 ' A' ' 92' ' ' THR . 2.9 tmt_? -55.0 -46.47 75.18 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 120.689 0.28 . . . . 0.0 110.804 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -53.17 -56.68 14.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.984 0.421 . . . . 0.0 110.593 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -63.81 -28.26 69.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.825 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 96' ' ' LEU . 6.1 tp -66.25 -55.3 16.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.925 0.393 . . . . 0.0 110.547 179.649 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.3 t -55.75 -40.36 72.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.636 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 70.8 mt -59.53 -43.72 93.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.734 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -67.58 -47.53 69.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.9 mt -60.26 -45.78 92.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.698 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.647 ' O ' HG22 ' A' ' 105' ' ' VAL . 52.2 ttp180 -66.29 -28.73 68.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.091 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -71.22 -40.9 70.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.018 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.83 -42.32 70.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.108 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.473 HD12 ' HA ' ' A' ' 101' ' ' ARG . 9.3 mt -62.46 -53.35 48.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.339 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.647 HG22 ' O ' ' A' ' 101' ' ' ARG . 29.3 m -59.43 -32.41 48.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.427 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -79.78 -2.58 43.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.545 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 68.2 34.9 81.92 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.353 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.63 4.04 52.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.552 0.215 . . . . 0.0 111.385 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.565 HD13 ' HB2' ' A' ' 186' ' ' MET . 0.6 OUTLIER -158.1 115.33 1.79 Allowed Pre-proline 0 C--N 1.332 -0.193 0 CA-C-N 116.709 -0.223 . . . . 0.0 110.661 179.892 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -50.43 125.58 15.66 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.435 2.09 . . . . 0.0 112.53 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -139.74 136.86 34.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.717 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.59 160.12 33.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.047 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -57.34 -48.4 79.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.857 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.28 -40.82 74.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.62 -179.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 74.0 m -71.35 -39.27 71.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.825 0.345 . . . . 0.0 110.374 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 21.1 mt -59.58 -46.72 88.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.174 179.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -71.88 -35.26 69.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.412 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 7.3 tt -67.36 -51.72 48.8 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.895 0.378 . . . . 0.0 110.73 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.735 HD22 ' CD2' ' A' ' 177' ' ' PHE . 67.4 mt -62.96 -34.35 77.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.357 179.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.426 ' O ' HG12 ' A' ' 124' ' ' ILE . . . -71.33 -52.47 13.09 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.075 179.387 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 36.2 t -54.17 -34.11 59.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.688 0.28 . . . . 0.0 111.231 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -71.71 -46.9 57.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.766 0.317 . . . . 0.0 110.616 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 11.3 m -59.79 -37.9 80.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.637 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.581 HG23 ' CD1' ' A' ' 128' ' ' LEU . 29.4 mm -63.23 -49.83 81.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.346 179.479 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . 0.431 ' HA ' ' CE1' ' A' ' 162' ' ' HIS . 4.7 tp60 -57.01 -38.35 72.98 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.718 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 41.3 t -78.77 -23.63 45.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.264 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.69 -43.05 19.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.979 0.419 . . . . 0.0 111.183 -179.147 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.581 ' CD1' HG23 ' A' ' 124' ' ' ILE . 1.3 mp -111.49 1.01 16.7 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.293 -178.2 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.244 0 C-N-CA 120.376 -0.916 . . . . 0.0 112.554 179.768 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.904 ' CG1' HD11 ' A' ' 146' ' ' LEU . 12.1 t . . . . . 0 CA--C 1.528 0.114 0 CA-C-O 120.853 0.358 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 20.2 p -62.44 -14.11 37.19 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.652 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.29 -26.65 19.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.771 0.32 . . . . 0.0 110.926 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' PHE . . . . . 0.497 ' CZ ' HD11 ' A' ' 128' ' ' LEU . 82.9 m-85 -94.14 123.53 37.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.018 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . 0.452 ' O ' HG11 ' A' ' 105' ' ' VAL . 0.0 OUTLIER -78.36 93.0 4.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.072 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.904 HD11 ' CG1' ' A' ' 141' ' ' VAL . 6.9 mt -86.67 -24.11 25.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.156 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.699 ' HB1' ' HD2' ' A' ' 148' ' ' PRO . . . -169.23 165.36 6.62 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.147 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' PRO . . . . . 0.699 ' HD2' ' HB1' ' A' ' 147' ' ' ALA . 59.2 Cg_endo -72.02 -30.55 13.5 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.583 2.189 . . . . 0.0 112.351 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -121.95 63.91 0.92 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . 0.467 ' NE2' HD12 ' A' ' 146' ' ' LEU . 13.6 tt0 -69.45 117.92 11.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 7.6 t -113.36 163.59 14.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.18 -43.68 10.26 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.317 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -54.27 48.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.846 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.937 ' O ' HG23 ' A' ' 158' ' ' VAL . 42.6 tp -61.55 -40.73 95.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.524 179.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.65 -53.93 52.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.737 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -55.66 -49.21 73.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.073 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.52 -34.13 68.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.514 -178.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.937 HG23 ' O ' ' A' ' 154' ' ' LEU . 49.8 t -67.01 -51.03 58.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.882 0.372 . . . . 0.0 111.062 179.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 14.2 mtm -67.62 -43.05 81.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.092 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -59.71 -53.4 58.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 30.4 mt -56.76 -40.14 75.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.812 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 162' ' ' HIS . . . . . 0.431 ' CE1' ' HA ' ' A' ' 125' ' ' GLN . 3.4 t-160 -56.55 -56.1 25.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.927 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 2.8 mtpm? -69.02 -29.14 67.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.035 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 3.6 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.25 -179.788 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 16.6 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.687 0.28 . . . . 0.0 110.666 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.71 -52.54 8.27 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.408 2.072 . . . . 0.0 111.782 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -51.77 -39.66 58.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.343 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.81 -43.02 85.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.702 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -68.67 -46.93 67.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.82 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -57.33 -42.6 82.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.704 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 175' ' ' LEU . . . . . 0.441 ' HG ' ' HG3' ' A' ' 179' ' ' GLU . 13.3 tp -72.33 -28.12 62.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.238 179.603 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -64.67 -54.16 36.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.888 -179.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 177' ' ' PHE . . . . . 0.735 ' CD2' HD22 ' A' ' 119' ' ' LEU . 14.2 t80 -70.57 -43.06 70.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.616 -0.265 . . . . 0.0 110.9 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 178' ' ' LEU . . . . . 0.428 HD11 ' HG3' ' A' ' 93' ' ' ARG . 24.3 mt -59.88 -42.19 93.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.85 0.357 . . . . 0.0 110.611 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 179' ' ' GLU . . . . . 0.441 ' HG3' ' HG ' ' A' ' 175' ' ' LEU . 3.4 mm-40 -68.51 -32.7 72.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 180' ' ' ASN . . . . . 0.795 ' O ' HD12 ' A' ' 184' ' ' LEU . 0.8 OUTLIER -72.34 -49.77 31.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.49 179.552 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -62.36 -37.92 87.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.026 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -69.34 -35.01 75.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.712 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.52 -18.23 63.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 179.536 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.795 HD12 ' O ' ' A' ' 180' ' ' ASN . 1.3 mp -104.93 -17.24 14.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.591 -179.529 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.76 38.84 6.59 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.85 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 186' ' ' MET . . . . . 0.565 ' HB2' HD13 ' A' ' 109' ' ' LEU . 13.0 ptm -94.57 17.7 12.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.25 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 187' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.884 179.952 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.484 ' HA ' HG22 ' A' ' 92' ' ' THR . 1.4 tt0 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.917 0.389 . . . . 0.0 110.664 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.54 -47.85 30.4 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.001 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 46.5 mm -61.29 -47.44 93.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.898 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.484 HG22 ' HA ' ' A' ' 89' ' ' GLU . 8.4 t -61.86 -50.4 72.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.736 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.585 ' HG3' HD11 ' A' ' 178' ' ' LEU . 22.0 ttm180 -54.84 -51.11 66.9 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.372 -179.45 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -51.89 -53.29 42.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.842 0.353 . . . . 0.0 110.982 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -63.16 -41.24 99.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.747 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.694 HD21 ' CE2' ' A' ' 187' ' ' TYR . 5.5 tp -56.56 -55.42 34.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.101 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.2 m -55.87 -42.62 76.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.994 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 82.5 mt -59.72 -37.85 80.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.958 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -72.2 -40.97 67.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.019 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.761 HD21 ' HB2' ' A' ' 186' ' ' MET . 6.5 mt -70.18 -39.52 75.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.263 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.47 -34.8 70.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.696 -179.345 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -71.74 -38.84 70.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.865 0.364 . . . . 0.0 110.872 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -67.5 -41.98 83.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.061 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.434 HD12 ' O ' ' A' ' 100' ' ' LEU . 20.4 mt -63.4 -50.26 79.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.183 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.589 HG11 ' HG3' ' A' ' 145' ' ' LYS . 30.9 m -58.5 -32.51 45.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.494 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -82.23 -2.87 53.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.654 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 68.0 33.63 79.69 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.386 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -83.41 2.29 37.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.53 0.205 . . . . 0.0 111.453 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.677 HD23 ' HD2' ' A' ' 110' ' ' PRO . 0.2 OUTLIER -152.07 134.59 8.8 Favored Pre-proline 0 C--N 1.332 -0.166 0 CA-C-O 120.533 0.206 . . . . 0.0 110.666 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.677 ' HD2' HD23 ' A' ' 109' ' ' LEU . 56.6 Cg_endo -70.79 124.8 10.99 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.478 2.118 . . . . 0.0 112.375 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 76.3 m -139.49 168.25 20.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.701 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.6 m -102.58 166.71 10.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.086 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -58.37 -49.58 76.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.14 -49.9 72.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.629 -178.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.489 HG22 ' CD1' ' A' ' 119' ' ' LEU . 85.7 m -62.83 -44.7 95.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.851 0.357 . . . . 0.0 110.542 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 33.9 mt -53.25 -45.33 68.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.416 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -72.77 -34.31 66.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.657 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 7.5 tt -68.86 -52.14 32.91 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.839 0.352 . . . . 0.0 111.072 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.521 HD22 ' CD1' ' A' ' 177' ' ' PHE . 24.6 mt -64.37 -34.11 77.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.084 0.469 . . . . 0.0 110.371 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.409 ' O ' HG12 ' A' ' 124' ' ' ILE . . . -71.16 -51.79 16.45 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.741 -0.742 . . . . 0.0 111.825 179.338 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.47 ' HA ' HG13 ' A' ' 158' ' ' VAL . 19.2 p -55.2 -33.27 62.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.712 0.292 . . . . 0.0 111.135 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.406 ' CE1' ' OE1' ' A' ' 176' ' ' GLU . 8.6 m-85 -71.62 -47.05 57.17 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.832 0.348 . . . . 0.0 110.67 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 23.3 m -57.86 -40.2 79.57 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.615 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.671 HD11 HD21 ' A' ' 146' ' ' LEU . 32.0 mm -62.52 -48.59 87.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.159 179.346 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . 0.419 ' HA ' ' CE1' ' A' ' 162' ' ' HIS . 5.0 tp-100 -56.8 -40.19 75.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.607 179.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.75 -24.18 44.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.495 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.37 -41.47 21.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.935 0.398 . . . . 0.0 111.421 -178.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.534 ' CD1' HG23 ' A' ' 124' ' ' ILE . 1.1 mp -114.61 2.14 14.44 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.356 -178.062 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.507 0 C-N-CA 120.397 -0.906 . . . . 0.0 112.443 179.8 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 1.029 HG11 HD11 ' A' ' 146' ' ' LEU . 12.2 t . . . . . 0 CA--C 1.529 0.17 0 CA-C-O 120.645 0.259 . . . . 0.0 111.563 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 17.0 p -61.88 -14.16 31.31 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.652 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.76 -25.99 17.93 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.802 0.334 . . . . 0.0 110.875 179.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' PHE . . . . . 0.509 ' CZ ' HD11 ' A' ' 128' ' ' LEU . 50.3 m-85 -93.05 124.67 37.19 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . 0.589 ' HG3' HG11 ' A' ' 105' ' ' VAL . 0.0 OUTLIER -81.33 91.57 6.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.16 -179.851 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 1.039 HD13 HG21 ' A' ' 158' ' ' VAL . 4.7 mt -82.54 -22.23 35.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.059 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.72 ' HB1' ' HD2' ' A' ' 148' ' ' PRO . . . -175.85 166.02 1.8 Allowed Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.995 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' PRO . . . . . 0.72 ' HD2' ' HB1' ' A' ' 147' ' ' ALA . 38.0 Cg_endo -66.45 -47.47 3.06 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.515 2.143 . . . . 0.0 112.244 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 -105.58 69.56 0.84 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.811 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . 0.44 ' NE2' HD12 ' A' ' 146' ' ' LEU . 19.8 tt0 -76.13 119.55 20.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.963 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 1.6 t -116.07 163.19 16.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 12.3 pttt -45.52 -42.64 11.04 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.379 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -58.07 -52.4 65.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.798 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.936 ' O ' HG23 ' A' ' 158' ' ' VAL . 57.1 tp -63.21 -38.97 93.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.474 179.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -61.48 -54.22 46.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.652 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -55.94 -48.26 76.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.056 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 12.9 tptt -57.7 -36.75 72.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.537 -179.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 1.039 HG21 HD13 ' A' ' 146' ' ' LEU . 55.7 t -66.99 -52.4 44.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.789 0.328 . . . . 0.0 111.228 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 60.0 mtm -66.42 -40.49 89.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.197 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -63.76 -47.04 82.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.002 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 55.8 mt -60.34 -41.15 92.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.968 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 162' ' ' HIS . . . . . 0.419 ' CE1' ' HA ' ' A' ' 125' ' ' GLN . 3.3 t-160 -58.86 -56.79 17.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.024 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 11.0 tttt -67.34 -31.61 71.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.081 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 20.5 t . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.294 -179.836 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . 0.417 ' HB ' ' HD2' ' A' ' 170' ' ' PRO . 1.9 p . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.64 0.257 . . . . 0.0 110.637 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . 0.417 ' HD2' ' HB ' ' A' ' 169' ' ' THR . 10.1 Cg_endo -51.24 -52.38 9.18 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.521 2.147 . . . . 0.0 111.845 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -52.26 -40.96 62.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.362 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -57.82 -42.19 83.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.624 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -71.51 -39.84 70.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.58 179.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -61.26 -43.29 99.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.456 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 14.4 tp -72.51 -37.29 68.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.568 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 176' ' ' GLU . . . . . 0.406 ' OE1' ' CE1' ' A' ' 122' ' ' TYR . 31.2 mt-10 -59.91 -53.84 53.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 0.0 112.174 -178.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 177' ' ' PHE . . . . . 0.521 ' CD1' HD22 ' A' ' 119' ' ' LEU . 59.7 t80 -69.21 -46.74 66.68 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.976 -0.29 . . . . 0.0 110.581 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 178' ' ' LEU . . . . . 0.585 HD11 ' HG3' ' A' ' 93' ' ' ARG . 27.9 mt -58.14 -38.71 77.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.027 0.441 . . . . 0.0 110.27 179.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -68.76 -33.01 73.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.769 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 180' ' ' ASN . . . . . 0.805 ' O ' HD12 ' A' ' 184' ' ' LEU . 0.7 OUTLIER -73.66 -49.72 24.53 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.431 179.512 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -62.99 -38.14 89.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.663 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 6.0 tttt -66.09 -39.11 89.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.637 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -16.99 63.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.011 179.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.805 HD12 ' O ' ' A' ' 180' ' ' ASN . 1.1 mp -109.07 -12.05 14.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.67 -179.46 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 1.3 t 65.25 74.21 0.39 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.912 0.387 . . . . 0.0 110.974 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 186' ' ' MET . . . . . 0.761 ' HB2' HD21 ' A' ' 100' ' ' LEU . 31.7 mtp -102.48 -27.23 12.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.841 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 187' ' ' TYR . . . . . 0.694 ' CE2' HD21 ' A' ' 96' ' ' LEU . 2.5 p90 . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.448 ' HA ' HG22 ' A' ' 92' ' ' THR . 13.7 mt-10 . . . . . 0 N--CA 1.46 0.071 0 CA-C-O 120.995 0.426 . . . . 0.0 110.724 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.6 -47.5 47.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.768 179.22 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 40.7 mm -62.36 -49.31 84.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.196 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.476 HG23 ' N ' ' A' ' 93' ' ' ARG . 12.4 t -57.87 -50.99 71.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.278 -179.466 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.728 ' CG ' HD11 ' A' ' 178' ' ' LEU . 0.1 OUTLIER -54.47 -47.81 72.52 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.559 0.219 . . . . 0.0 111.498 -179.005 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -55.24 -53.38 56.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.9 0.381 . . . . 0.0 110.715 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -65.65 -28.22 68.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.023 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.657 HD21 ' CE2' ' A' ' 187' ' ' TYR . 6.0 tp -68.91 -55.3 11.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.655 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -56.74 -37.45 71.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.709 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 41.9 mt -61.44 -49.58 76.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.749 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -64.91 -48.58 73.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.61 -46.37 89.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.764 ' O ' HG22 ' A' ' 105' ' ' VAL . 0.0 OUTLIER -64.2 -28.66 69.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.087 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -71.18 -44.24 65.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.022 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.47 -36.63 79.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.108 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.494 HD12 ' HA ' ' A' ' 101' ' ' ARG . 9.7 mt -68.69 -54.35 21.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.302 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.764 HG22 ' O ' ' A' ' 101' ' ' ARG . 29.4 m -61.01 -32.23 52.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.477 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.77 -3.06 42.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.585 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 64.82 45.9 91.2 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.332 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 16.8 mtt180 -104.07 7.62 36.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.555 0.217 . . . . 0.0 111.338 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.641 HD22 ' SD ' ' A' ' 186' ' ' MET . 0.6 OUTLIER -155.9 110.65 2.14 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.679 179.908 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -49.56 132.63 30.67 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.513 2.142 . . . . 0.0 112.573 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -145.64 168.29 21.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.739 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.41 159.48 14.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.082 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -56.42 -47.91 78.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.968 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.23 -42.48 77.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.621 -179.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 74.9 m -69.12 -40.04 78.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.859 0.361 . . . . 0.0 110.357 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 38.4 mt -59.22 -48.82 80.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.298 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.457 ' HB1' ' HB3' ' A' ' 157' ' ' LYS . . . -68.59 -36.27 78.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.362 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.418 ' HG ' ' CE2' ' A' ' 122' ' ' TYR . 6.2 tt -66.57 -51.74 53.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.929 0.395 . . . . 0.0 110.738 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.801 HD22 ' CD2' ' A' ' 177' ' ' PHE . 62.3 mt -60.24 -34.27 73.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.409 179.682 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.446 ' HA2' HD22 ' A' ' 146' ' ' LEU . . . -71.52 -52.33 13.17 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.367 179.442 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 9.2 m -53.45 -35.46 60.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.596 0.236 . . . . 0.0 111.552 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.438 ' CE2' ' HB3' ' A' ' 176' ' ' GLU . 17.3 m-85 -74.43 -44.4 52.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.741 0.305 . . . . 0.0 110.826 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 30.2 m -61.74 -40.6 95.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.459 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.543 HG23 ' CD1' ' A' ' 128' ' ' LEU . 28.3 mm -63.09 -48.89 85.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.344 179.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . 0.417 ' OE1' ' CD2' ' A' ' 162' ' ' HIS . 4.0 tp60 -57.98 -37.21 73.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.708 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 16.8 m -78.72 -24.51 44.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.209 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.32 -43.11 19.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.196 -179.227 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.543 ' CD1' HG23 ' A' ' 124' ' ' ILE . 0.9 OUTLIER -110.3 0.74 18.17 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.967 -0.56 . . . . 0.0 112.197 -178.385 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 C-N-CA 120.34 -0.933 . . . . 0.0 112.59 179.838 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.681 ' CG1' HD11 ' A' ' 146' ' ' LEU . 5.0 t . . . . . 0 CA--C 1.528 0.129 0 CA-C-O 120.689 0.281 . . . . 0.0 111.337 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.36 -14.61 41.72 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.414 179.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.91 -28.63 24.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.871 0.367 . . . . 0.0 110.782 179.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' PHE . . . . . 0.425 ' CE2' HD11 ' A' ' 128' ' ' LEU . 57.1 m-85 -109.12 119.36 39.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . 0.482 ' O ' HG11 ' A' ' 105' ' ' VAL . 0.0 OUTLIER -81.75 99.18 8.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.059 -179.922 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.681 HD11 ' CG1' ' A' ' 141' ' ' VAL . 1.4 mt -92.04 -15.38 27.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.209 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -162.47 155.67 17.17 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 120.738 0.304 . . . . 0.0 111.138 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.49 -49.45 1.75 Allowed 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.531 2.154 . . . . 0.0 112.232 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -104.07 68.91 0.92 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.718 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -72.6 116.88 13.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.102 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -113.21 161.98 16.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.776 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -44.85 -42.16 7.72 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.312 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -57.81 -52.1 66.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.929 ' O ' HG23 ' A' ' 158' ' ' VAL . 28.3 tp -61.58 -46.71 88.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.479 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.74 -52.5 64.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.754 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -53.1 -53.6 47.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.94 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.457 ' HB3' ' HB1' ' A' ' 117' ' ' ALA . 6.1 tptt -57.37 -29.18 63.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.139 -179.118 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.929 HG23 ' O ' ' A' ' 154' ' ' LEU . 58.9 t -67.03 -51.66 51.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.945 0.402 . . . . 0.0 110.616 179.31 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 8.3 mtt -68.24 -42.84 79.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.808 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -57.61 -51.12 70.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.82 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 28.4 mt -60.59 -38.67 85.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.684 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 162' ' ' HIS . . . . . 0.417 ' CD2' ' OE1' ' A' ' 125' ' ' GLN . 5.0 t-160 -62.63 -56.66 15.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.702 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 12.4 ttmt -61.64 -33.91 74.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.763 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 7.1 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.23 -179.803 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . 0.408 ' HB ' ' HD2' ' A' ' 170' ' ' PRO . 18.2 p . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.675 0.274 . . . . 0.0 110.625 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . 0.408 ' HD2' ' HB ' ' A' ' 169' ' ' THR . 8.5 Cg_endo -50.31 -53.97 6.22 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.534 2.156 . . . . 0.0 111.823 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -52.95 -39.92 63.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.231 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.67 -39.55 77.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.567 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -74.2 -43.26 57.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.649 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.46 -42.85 92.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.518 179.534 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 175' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 175' ' ' LEU . 14.6 tp -72.34 -31.82 65.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.179 179.447 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 176' ' ' GLU . . . . . 0.438 ' HB3' ' CE2' ' A' ' 122' ' ' TYR . 18.0 mm-40 -60.63 -53.67 54.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.839 -179.182 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 177' ' ' PHE . . . . . 0.801 ' CD2' HD22 ' A' ' 119' ' ' LEU . 14.1 t80 -70.59 -46.51 63.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.669 0.271 . . . . 0.0 110.764 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 178' ' ' LEU . . . . . 0.728 HD11 ' CG ' ' A' ' 93' ' ' ARG . 42.4 mt -58.65 -41.92 87.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.829 0.347 . . . . 0.0 110.638 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -68.14 -32.57 72.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.647 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 180' ' ' ASN . . . . . 0.809 ' O ' HD12 ' A' ' 184' ' ' LEU . 0.9 OUTLIER -71.03 -49.78 41.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.154 179.279 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -61.18 -38.03 85.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.723 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.93 -34.39 76.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.614 179.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.87 -19.98 65.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.014 179.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.809 HD12 ' O ' ' A' ' 180' ' ' ASN . 1.2 mp -104.56 14.26 30.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.676 -179.492 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 53.58 34.35 18.39 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.816 0.341 . . . . 0.0 111.084 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 186' ' ' MET . . . . . 0.641 ' SD ' HD22 ' A' ' 109' ' ' LEU . 6.6 mmm -59.1 -36.22 74.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.963 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 187' ' ' TYR . . . . . 0.657 ' CE2' HD21 ' A' ' 96' ' ' LEU . 11.8 p90 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.255 -0.878 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.843 0.354 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -74.38 -47.8 31.92 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 46.8 mm -59.19 -45.1 93.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.065 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.449 HG23 ' N ' ' A' ' 93' ' ' ARG . 7.8 t -65.28 -49.94 67.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.074 -179.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.593 ' HG3' HD11 ' A' ' 178' ' ' LEU . 34.9 ttm180 -54.45 -51.13 65.96 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.552 -178.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -56.26 -54.59 43.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.903 0.382 . . . . 0.0 110.818 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -61.37 -28.52 69.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.987 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.428 ' HB2' ' O ' ' A' ' 92' ' ' THR . 5.5 tp -68.1 -55.45 12.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.892 0.377 . . . . 0.0 110.669 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 2.6 t -53.8 -40.4 66.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.772 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 95.6 mt -61.07 -46.99 88.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.672 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -64.8 -47.43 78.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.451 ' O ' HD12 ' A' ' 104' ' ' ILE . 6.0 mt -58.24 -45.78 87.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.81 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.676 ' O ' HG22 ' A' ' 105' ' ' VAL . 2.2 ttm-85 -66.48 -28.51 68.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.259 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -71.19 -44.28 65.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.235 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -70.96 -45.75 63.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.293 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.451 HD12 ' O ' ' A' ' 100' ' ' LEU . 16.3 mt -58.36 -54.19 36.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.423 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.676 HG22 ' O ' ' A' ' 101' ' ' ARG . 29.1 m -56.24 -32.41 34.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.639 -179.593 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -84.3 -1.95 56.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.559 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 69.43 32.88 71.91 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.602 -0.808 . . . . 0.0 112.339 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -83.26 1.35 41.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.55 0.214 . . . . 0.0 111.467 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.1 tt -151.26 130.09 6.31 Favored Pre-proline 0 C--N 1.332 -0.187 0 CA-C-O 120.509 0.195 . . . . 0.0 110.656 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.94 125.98 12.68 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.401 2.068 . . . . 0.0 112.425 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 1.6 m -138.75 168.34 20.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.565 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.5 p -100.21 164.38 11.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.127 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -57.4 -50.69 72.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.857 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.26 -45.02 80.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.641 -179.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 94.6 m -66.28 -42.64 88.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.836 0.351 . . . . 0.0 110.623 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 38.5 mt -56.52 -48.28 77.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.291 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.523 ' HB1' ' HB3' ' A' ' 157' ' ' LYS . . . -69.01 -35.82 77.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.446 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 5.9 tt -66.42 -51.73 53.96 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.882 0.372 . . . . 0.0 110.762 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.537 HD22 ' CD2' ' A' ' 177' ' ' PHE . 55.5 mt -60.99 -34.05 74.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.386 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -71.14 -52.49 13.49 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.044 179.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 10.0 t -53.57 -33.39 54.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.641 0.258 . . . . 0.0 111.295 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.411 ' CE1' ' OE1' ' A' ' 176' ' ' GLU . 9.7 m-85 -72.91 -47.58 44.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.81 0.338 . . . . 0.0 110.725 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 79.7 m -59.85 -35.32 74.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.568 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.468 HG23 HD12 ' A' ' 128' ' ' LEU . 32.0 mm -66.38 -51.09 62.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.492 179.573 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -57.97 -36.17 72.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.778 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.12 -23.55 47.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.025 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.15 -46.51 12.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.287 -179.356 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.468 HD12 HG23 ' A' ' 124' ' ' ILE . 1.0 OUTLIER -106.93 1.38 24.49 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.045 -0.525 . . . . 0.0 112.227 -178.555 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 0.249 0 C-N-CA 120.374 -0.917 . . . . 0.0 112.769 179.732 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.851 ' CG1' HD11 ' A' ' 146' ' ' LEU . 3.2 t . . . . . 0 CA--C 1.529 0.148 0 CA-C-O 120.631 0.253 . . . . 0.0 111.565 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.3 m -61.57 -14.17 27.81 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.767 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 32.5 p30 -95.27 -24.5 16.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.765 0.317 . . . . 0.0 110.841 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -87.5 128.0 35.24 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.928 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.87 88.49 7.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.851 HD11 ' CG1' ' A' ' 141' ' ' VAL . 4.1 mt -90.04 -22.06 22.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.207 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.623 ' HB1' ' HD2' ' A' ' 148' ' ' PRO . . . -170.17 163.08 6.37 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.211 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' PRO . . . . . 0.623 ' HD2' ' HB1' ' A' ' 147' ' ' ALA . 58.2 Cg_endo -71.56 -40.1 3.16 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.625 2.217 . . . . 0.0 112.265 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -108.61 70.42 0.75 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.753 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . 0.469 ' NE2' HD12 ' A' ' 146' ' ' LEU . 17.5 tt0 -80.91 114.99 20.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.211 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 2.2 p -114.99 168.35 9.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.645 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -47.94 -36.57 12.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.633 179.616 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -61.75 -57.02 13.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.723 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.939 ' O ' HG23 ' A' ' 158' ' ' VAL . 26.6 tp -60.69 -42.37 97.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.422 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -59.66 -53.84 53.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.632 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -54.15 -51.27 64.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.008 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.523 ' HB3' ' HB1' ' A' ' 117' ' ' ALA . 1.1 tptt -57.54 -31.95 66.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.229 -179.254 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.939 HG23 ' O ' ' A' ' 154' ' ' LEU . 90.2 t -67.13 -50.36 64.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.825 0.345 . . . . 0.0 110.713 179.493 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 11.5 mtt -68.17 -40.67 82.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -58.08 -55.14 38.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 25.7 mt -60.57 -35.27 75.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.695 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 162' ' ' HIS . . . . . 0.445 ' CE1' HG22 ' A' ' 124' ' ' ILE . 15.8 t-160 -60.27 -53.87 52.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.706 179.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 15.4 tttt -71.67 -29.09 64.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.897 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 18.2 p . . . . . 0 C--N 1.331 -0.222 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 -179.941 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.527 0.094 0 CA-C-O 120.706 0.289 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.99 -47.95 13.81 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.535 2.157 . . . . 0.0 112.089 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -50.4 -41.28 51.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.345 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -57.8 -45.2 86.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.638 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -67.92 -41.96 81.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.613 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -60.66 -42.91 97.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.438 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 15.4 tp -72.59 -32.71 66.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.325 179.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 176' ' ' GLU . . . . . 0.411 ' OE1' ' CE1' ' A' ' 122' ' ' TYR . 28.7 mt-10 -61.13 -52.7 63.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.985 -179.004 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 177' ' ' PHE . . . . . 0.537 ' CD2' HD22 ' A' ' 119' ' ' LEU . 10.0 t80 -71.25 -45.44 63.22 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.973 -0.291 . . . . 0.0 110.541 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 178' ' ' LEU . . . . . 0.593 HD11 ' HG3' ' A' ' 93' ' ' ARG . 89.3 mt -58.48 -41.97 86.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.01 0.433 . . . . 0.0 110.38 179.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -68.51 -32.24 72.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.765 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 180' ' ' ASN . . . . . 0.79 ' O ' HD12 ' A' ' 184' ' ' LEU . 0.6 OUTLIER -71.31 -49.9 37.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.13 179.369 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -61.92 -37.9 86.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.801 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.05 -37.85 86.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.645 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.83 -18.25 65.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.008 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.79 HD12 ' O ' ' A' ' 180' ' ' ASN . 1.1 mp -107.9 -3.15 19.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.876 -179.438 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 1.4 m 61.2 38.01 17.03 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.824 0.345 . . . . 0.0 110.947 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 27.6 mmm -63.45 -21.54 66.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 187' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.251 -0.88 . . . . 0.0 110.897 -179.928 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.416 ' HA ' HG22 ' A' ' 92' ' ' THR . 15.3 tp10 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.907 0.384 . . . . 0.0 110.529 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -75.95 -47.8 23.71 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 178.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 42.1 mm -60.95 -45.11 99.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.058 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.469 HG23 ' N ' ' A' ' 93' ' ' ARG . 10.7 t -63.34 -51.44 65.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.27 -179.469 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.701 ' HG3' HD11 ' A' ' 178' ' ' LEU . 5.2 ttm180 -54.41 -50.22 68.1 Favored 'General case' 0 C--O 1.231 0.099 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 -178.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -55.32 -54.64 41.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.936 0.398 . . . . 0.0 110.841 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -63.25 -28.27 69.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.174 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.442 ' HA ' HD12 ' A' ' 96' ' ' LEU . 5.5 tp -67.11 -55.39 14.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.939 0.4 . . . . 0.0 110.87 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 56.3 m -58.26 -35.51 71.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.644 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 98' ' ' LEU . 23.4 mt -62.45 -46.66 87.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.261 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.445 ' HA ' ' HG2' ' A' ' 102' ' ' GLN . 10.2 pt20 -68.78 -38.14 79.79 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.809 0.338 . . . . 0.0 111.253 -179.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.523 HD11 ' CE2' ' A' ' 187' ' ' TYR . 6.8 mt -70.15 -42.05 73.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.248 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.544 ' O ' HG22 ' A' ' 105' ' ' VAL . 0.0 OUTLIER -71.39 -33.28 69.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.839 -179.178 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.445 ' HG2' ' HA ' ' A' ' 99' ' ' GLN . 6.1 pt20 -71.94 -38.33 69.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.878 0.371 . . . . 0.0 110.786 179.539 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.29 -46.09 68.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.163 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.434 HD12 ' O ' ' A' ' 100' ' ' LEU . 18.7 mt -60.41 -51.73 69.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.303 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.544 HG22 ' O ' ' A' ' 101' ' ' ARG . 30.8 m -58.91 -32.16 46.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.754 0.312 . . . . 0.0 111.404 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -77.63 -2.48 36.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.615 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 69.45 32.33 71.58 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.627 -0.796 . . . . 0.0 112.465 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 55.1 mmm-85 -98.7 3.08 47.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.538 0.209 . . . . 0.0 111.411 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.88 HD23 ' HD2' ' A' ' 110' ' ' PRO . 0.4 OUTLIER -144.0 130.72 10.28 Favored Pre-proline 0 C--N 1.332 -0.181 0 CA-C-N 116.731 -0.213 . . . . 0.0 110.63 179.907 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.88 ' HD2' HD23 ' A' ' 109' ' ' LEU . 69.3 Cg_endo -74.22 121.71 7.05 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.46 2.107 . . . . 0.0 112.482 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -140.16 168.24 20.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.685 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -101.72 164.83 11.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.928 0.394 . . . . 0.0 111.035 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.425 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 52.9 t80 -58.99 -51.05 71.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.828 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.2 -41.55 75.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.534 -179.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.633 HG22 ' CD1' ' A' ' 119' ' ' LEU . 99.6 m -69.57 -39.17 77.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.831 0.348 . . . . 0.0 110.294 179.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 116' ' ' LEU . 18.1 mt -59.49 -48.64 80.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.176 179.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.471 ' HB1' ' HB3' ' A' ' 157' ' ' LYS . . . -68.8 -35.92 77.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.514 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.419 ' HG ' ' CE2' ' A' ' 122' ' ' TYR . 7.0 tt -68.28 -51.95 39.2 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.906 0.384 . . . . 0.0 110.931 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.683 HD22 ' CD2' ' A' ' 177' ' ' PHE . 21.8 mt -60.03 -34.24 73.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.369 179.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.407 ' O ' HG12 ' A' ' 124' ' ' ILE . . . -71.33 -50.69 20.41 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.111 179.293 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 40.0 m -53.56 -36.07 61.48 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.645 0.239 . . . . 0.0 111.645 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.443 ' CE2' ' HB3' ' A' ' 176' ' ' GLU . 22.9 m-85 -74.94 -44.39 48.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.829 0.347 . . . . 0.0 110.89 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 61.5 m -62.44 -42.01 99.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.649 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.566 HG23 ' CD1' ' A' ' 128' ' ' LEU . 25.0 mm -62.67 -49.61 83.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.602 179.608 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . 0.409 ' O ' ' CA ' ' A' ' 129' ' ' GLY . 3.3 tm0? -59.29 -36.44 75.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.756 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 5.4 p -78.96 -26.54 43.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.162 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -80.14 -40.9 26.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.146 -179.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.566 ' CD1' HG23 ' A' ' 124' ' ' ILE . 1.1 mp -111.35 0.35 16.62 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.213 -178.314 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.409 ' CA ' ' O ' ' A' ' 125' ' ' GLN . . . . . . . . 0 N--CA 1.448 -0.558 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.505 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.826 HG11 HD11 ' A' ' 146' ' ' LEU . 22.0 t . . . . . 0 CA--C 1.529 0.172 0 CA-C-O 120.617 0.246 . . . . 0.0 111.45 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 29.9 m -61.56 -14.18 27.76 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.805 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.77 -28.43 21.71 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.785 0.326 . . . . 0.0 110.838 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' PHE . . . . . 0.448 ' CE2' HD11 ' A' ' 128' ' ' LEU . 92.9 m-85 -93.33 123.19 36.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.94 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . 0.43 ' O ' HG11 ' A' ' 105' ' ' VAL . 8.8 mtmt -78.43 96.16 5.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.103 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 1.03 HD13 HG21 ' A' ' 158' ' ' VAL . 3.6 mt -86.14 -21.04 27.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.101 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.756 ' HB1' ' HD2' ' A' ' 148' ' ' PRO . . . -176.07 166.94 1.65 Allowed Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.033 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' PRO . . . . . 0.756 ' HD2' ' HB1' ' A' ' 147' ' ' ALA . 44.9 Cg_endo -68.46 -46.96 1.68 Allowed 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.52 2.146 . . . . 0.0 112.297 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -103.08 71.37 1.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . 0.481 ' NE2' HD12 ' A' ' 146' ' ' LEU . 26.6 tt0 -78.13 121.22 24.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.948 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 3.4 p -120.1 166.87 12.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.917 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.52 -35.33 12.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.688 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . 0.425 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -62.5 -57.74 10.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.63 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.932 ' O ' HG23 ' A' ' 158' ' ' VAL . 45.8 tp -59.34 -44.23 92.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.404 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -59.22 -53.93 52.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.675 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -54.99 -49.91 70.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.949 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.471 ' HB3' ' HB1' ' A' ' 117' ' ' ALA . 14.4 tptt -57.49 -32.02 66.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.187 -179.205 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 1.03 HG21 HD13 ' A' ' 146' ' ' LEU . 57.3 t -67.08 -52.76 40.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.891 0.377 . . . . 0.0 111.022 179.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 11.0 mtm -67.95 -42.67 80.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.145 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -57.03 -55.16 38.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.053 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 23.4 mt -59.6 -37.56 78.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.821 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -54.49 -53.66 51.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.992 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.37 -25.09 46.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.058 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 10.4 t . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.219 -179.741 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . 0.455 ' HB ' ' HD2' ' A' ' 170' ' ' PRO . 69.4 p . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.651 0.262 . . . . 0.0 110.617 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . 0.455 ' HD2' ' HB ' ' A' ' 169' ' ' THR . 6.6 Cg_endo -48.85 -52.86 7.88 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.609 2.206 . . . . 0.0 112.174 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -50.41 -41.12 51.81 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.456 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -57.81 -45.57 85.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.719 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -65.18 -43.54 91.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.656 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -60.62 -42.38 96.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.282 0.563 . . . . 0.0 110.64 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 14.7 tp -72.59 -34.48 67.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.419 -0.809 . . . . 0.0 111.411 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 176' ' ' GLU . . . . . 0.443 ' HB3' ' CE2' ' A' ' 122' ' ' TYR . 30.5 mm-40 -60.16 -54.33 47.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.992 -178.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 177' ' ' PHE . . . . . 0.683 ' CD2' HD22 ' A' ' 119' ' ' LEU . 16.5 t80 -68.59 -46.89 68.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.611 0.243 . . . . 0.0 110.635 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 178' ' ' LEU . . . . . 0.701 HD11 ' HG3' ' A' ' 93' ' ' ARG . 35.6 mt -58.43 -38.36 77.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.057 0.456 . . . . 0.0 110.333 179.546 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.12 -33.85 75.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.827 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -73.6 -49.74 24.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.446 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -60.81 -37.83 83.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.577 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 10.4 mttm -67.55 -39.03 84.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.046 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 9.6 mtpt -77.76 -22.01 50.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.129 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.3 mt -91.08 -8.53 48.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.359 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 63.57 71.32 0.5 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.885 0.374 . . . . 0.0 110.886 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 28.6 mmm -108.42 -26.69 10.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.956 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 187' ' ' TYR . . . . . 0.523 ' CE2' HD11 ' A' ' 100' ' ' LEU . 11.8 m-85 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.918 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.511 ' HA ' HG22 ' A' ' 92' ' ' THR . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.896 0.379 . . . . 0.0 110.947 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -71.86 -48.43 46.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.201 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 17.7 mt -67.3 -46.15 84.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.127 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.511 HG22 ' HA ' ' A' ' 89' ' ' GLU . 7.1 t -55.86 -51.84 66.13 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 121.036 -0.266 . . . . 0.0 110.674 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.823 ' CG ' HD11 ' A' ' 178' ' ' LEU . 2.9 ttp180 -54.94 -46.44 74.98 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-O 120.778 0.323 . . . . 0.0 110.896 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -52.48 -55.2 23.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.976 0.417 . . . . 0.0 110.868 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -67.98 -28.4 67.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.249 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 7.5 tp -67.9 -52.2 39.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.842 0.353 . . . . 0.0 110.616 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 9.0 m -58.69 -44.05 90.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.678 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 71.9 mt -57.84 -42.08 83.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -67.96 -47.99 67.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.086 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.524 HD21 ' HB2' ' A' ' 186' ' ' MET . 4.2 mt -61.79 -45.45 93.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.935 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.622 ' HA ' HD12 ' A' ' 104' ' ' ILE . 0.0 OUTLIER -66.72 -28.34 68.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.08 -179.908 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -71.3 -38.39 71.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.932 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -71.03 -40.13 71.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.622 HD12 ' HA ' ' A' ' 101' ' ' ARG . 11.2 mt -64.01 -49.74 80.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.147 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.578 HG11 ' O ' ' A' ' 145' ' ' LYS . 27.2 m -61.16 -32.21 52.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.497 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -80.93 -4.35 54.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.467 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 69.1 31.57 72.24 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.46 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 5.2 mtm-85 -86.21 2.82 45.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.564 0.221 . . . . 0.0 111.413 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -155.94 118.35 2.3 Favored Pre-proline 0 C--N 1.332 -0.159 0 CA-C-O 120.496 0.189 . . . . 0.0 110.769 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.7 126.85 23.21 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.508 2.139 . . . . 0.0 112.438 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -141.06 168.34 20.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.676 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 7.6 p -101.9 161.2 13.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.103 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -57.33 -47.78 80.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.85 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.25 -40.75 74.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.568 -179.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.469 HG22 ' CD1' ' A' ' 119' ' ' LEU . 78.5 m -71.27 -38.34 71.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.882 0.372 . . . . 0.0 110.344 179.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 116' ' ' LEU . 26.3 mt -60.31 -47.55 85.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.168 179.465 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.445 ' HB1' ' HB3' ' A' ' 157' ' ' LYS . . . -71.12 -35.27 71.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.523 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 6.6 tt -68.76 -51.92 35.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.847 0.356 . . . . 0.0 110.851 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.81 HD22 ' CD2' ' A' ' 177' ' ' PHE . 68.1 mt -61.77 -34.12 75.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.269 179.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.408 ' O ' HG12 ' A' ' 124' ' ' ILE . . . -71.28 -49.79 24.71 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.747 -0.74 . . . . 0.0 111.786 179.197 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 49.8 m -53.44 -36.84 62.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.623 0.249 . . . . 0.0 111.49 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.456 ' CE2' ' HB3' ' A' ' 176' ' ' GLU . 24.7 m-85 -72.81 -46.0 55.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.744 0.307 . . . . 0.0 110.788 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 70.1 m -59.96 -39.3 85.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.684 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.542 HG23 HD12 ' A' ' 128' ' ' LEU . 32.2 mm -63.76 -49.51 81.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.532 179.559 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . 0.421 ' HA ' ' CE1' ' A' ' 162' ' ' HIS . 17.5 tm0? -59.48 -36.23 75.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.76 -27.53 44.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.145 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.34 -43.89 22.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.161 -179.373 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.817 HD11 ' CE2' ' A' ' 144' ' ' PHE . 1.3 mt -107.23 0.89 23.57 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.023 -178.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.414 ' CA ' ' O ' ' A' ' 125' ' ' GLN . . . . . . . . 0 N--CA 1.449 -0.453 0 C-N-CA 120.391 -0.909 . . . . 0.0 112.458 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.738 HG13 HD11 ' A' ' 146' ' ' LEU . 6.2 t . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.817 0.341 . . . . 0.0 111.069 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.71 -14.39 43.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.506 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -93.09 -25.66 17.8 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.809 0.338 . . . . 0.0 110.825 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' PHE . . . . . 0.817 ' CE2' HD11 ' A' ' 128' ' ' LEU . 79.0 m-85 -98.81 120.09 38.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.897 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . 0.578 ' O ' HG11 ' A' ' 105' ' ' VAL . 21.2 mttt -78.46 94.57 4.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.006 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.738 HD11 HG13 ' A' ' 141' ' ' VAL . 1.3 mt -97.61 -25.73 15.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.104 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.421 ' HB1' ' CD ' ' A' ' 148' ' ' PRO . . . -162.34 167.96 11.53 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.218 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' PRO . . . . . 0.421 ' CD ' ' HB1' ' A' ' 147' ' ' ALA . 3.1 Cg_exo -74.43 -69.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.861 2.374 . . . . 0.0 112.33 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -86.4 74.63 9.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . 0.654 ' HG3' HD23 ' A' ' 154' ' ' LEU . 6.9 tt0 -76.43 118.04 18.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.97 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 3.3 p -116.88 170.34 8.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.826 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.29 -35.83 19.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.603 179.639 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -57.59 10.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.706 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.934 ' O ' HG23 ' A' ' 158' ' ' VAL . 39.1 tp -60.68 -42.08 96.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.342 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -59.88 -53.99 51.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.59 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -55.47 -49.02 73.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.445 ' HB3' ' HB1' ' A' ' 117' ' ' ALA . 3.4 tptp -57.55 -32.91 67.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.159 -179.199 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.934 HG23 ' O ' ' A' ' 154' ' ' LEU . 60.9 t -67.04 -49.6 71.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.857 0.36 . . . . 0.0 110.851 179.533 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 11.9 mtt -68.33 -41.01 81.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.057 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -61.38 -52.76 63.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.959 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 13.5 mt -57.62 -42.3 83.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.082 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 162' ' ' HIS . . . . . 0.421 ' CE1' ' HA ' ' A' ' 125' ' ' GLN . 3.4 t-160 -54.61 -56.71 16.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.101 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 6.6 mtpp -71.32 -25.09 62.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 45.5 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.27 -179.763 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . 0.431 ' HB ' ' HD2' ' A' ' 170' ' ' PRO . 23.5 p . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.656 0.265 . . . . 0.0 110.716 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . 0.431 ' HD2' ' HB ' ' A' ' 169' ' ' THR . 50.4 Cg_exo -53.22 -52.17 9.34 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.42 2.08 . . . . 0.0 111.723 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -49.99 -43.27 50.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.427 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -58.1 -47.8 82.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.697 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -61.34 -44.69 96.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.545 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.43 -39.88 77.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.511 179.458 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 175' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 175' ' ' LEU . 7.9 tp -72.58 -37.11 68.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.5 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 176' ' ' GLU . . . . . 0.456 ' HB3' ' CE2' ' A' ' 122' ' ' TYR . 64.1 mm-40 -58.69 -54.82 42.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.313 -0.403 . . . . 0.0 112.063 -178.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 177' ' ' PHE . . . . . 0.81 ' CD2' HD22 ' A' ' 119' ' ' LEU . 11.3 t80 -70.01 -43.89 70.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.62 0.248 . . . . 0.0 110.823 -179.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 178' ' ' LEU . . . . . 0.823 HD11 ' CG ' ' A' ' 93' ' ' ARG . 21.6 mt -60.16 -40.08 88.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.871 0.367 . . . . 0.0 110.62 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -69.43 -33.04 72.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.78 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 180' ' ' ASN . . . . . 0.84 ' O ' HD12 ' A' ' 184' ' ' LEU . 0.9 OUTLIER -72.39 -49.84 30.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.091 179.447 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -61.52 -37.9 85.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.618 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.97 -33.7 74.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.679 179.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -19.64 64.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.041 179.635 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.84 HD12 ' O ' ' A' ' 180' ' ' ASN . 1.2 mp -103.64 -13.55 16.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.765 -179.328 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 2.6 m 62.89 73.79 0.45 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.83 0.348 . . . . 0.0 110.892 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 186' ' ' MET . . . . . 0.524 ' HB2' HD21 ' A' ' 100' ' ' LEU . 20.4 mtp -103.21 -26.98 12.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 187' ' ' TYR . . . . . 0.42 ' CD1' HD11 ' A' ' 100' ' ' LEU . 4.1 p90 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.909 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.436 ' HA ' HG22 ' A' ' 92' ' ' THR . 2.5 mp0 . . . . . 0 N--CA 1.46 0.04 0 CA-C-O 120.982 0.42 . . . . 0.0 110.705 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.96 -47.8 42.25 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.072 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 42.1 mm -61.06 -45.32 98.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.285 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.477 HG23 ' N ' ' A' ' 93' ' ' ARG . 9.7 t -64.05 -51.13 65.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.241 -179.4 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.523 ' CG ' HD11 ' A' ' 178' ' ' LEU . 0.3 OUTLIER -54.34 -48.54 71.3 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 120.552 0.215 . . . . 0.0 111.572 -178.888 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -56.97 -52.51 64.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.928 0.394 . . . . 0.0 110.783 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -65.08 -28.28 69.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.241 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.423 ' HB2' ' O ' ' A' ' 92' ' ' THR . 5.6 tp -70.22 -55.45 9.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.891 0.377 . . . . 0.0 110.838 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.7 m -55.67 -39.14 70.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.752 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 67.8 mt -63.11 -46.22 88.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.819 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -66.71 -48.63 68.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.977 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.589 HD11 ' CZ ' ' A' ' 187' ' ' TYR . 3.0 mt -58.84 -48.08 82.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.75 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.687 ' HA ' HD12 ' A' ' 104' ' ' ILE . 6.3 ttp180 -64.49 -28.57 69.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.088 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.32 -38.5 71.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.963 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -70.94 -37.56 72.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.094 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.687 HD12 ' HA ' ' A' ' 101' ' ' ARG . 10.7 mt -66.58 -52.88 41.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.355 -179.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.622 HG11 ' O ' ' A' ' 145' ' ' LYS . 27.4 m -60.91 -32.04 51.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.621 -179.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -79.24 -3.07 44.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.596 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 65.31 40.47 96.55 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.475 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.09 6.75 48.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.585 0.231 . . . . 0.0 111.328 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -156.12 138.15 10.03 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-O 120.603 0.239 . . . . 0.0 110.759 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.85 122.84 8.85 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.402 2.068 . . . . 0.0 112.414 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 11.4 m -137.48 168.25 20.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.632 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 88.6 p -104.06 161.23 14.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.092 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.454 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 43.9 t80 -56.82 -48.39 78.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.932 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.24 -44.72 79.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.629 -179.104 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.643 HG22 ' CD1' ' A' ' 119' ' ' LEU . 89.4 m -67.44 -39.94 85.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.836 0.35 . . . . 0.0 110.577 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 116' ' ' LEU . 16.9 mt -58.43 -48.0 82.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.024 0.44 . . . . 0.0 110.141 179.428 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.39 -35.26 75.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.549 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.422 ' HG ' ' CE2' ' A' ' 122' ' ' TYR . 6.2 tt -69.14 -52.09 31.68 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.832 0.349 . . . . 0.0 111.027 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.69 HD22 ' CD2' ' A' ' 177' ' ' PHE . 20.7 mt -60.54 -34.15 73.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.324 179.668 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.424 ' O ' HG12 ' A' ' 124' ' ' ILE . . . -71.3 -50.05 23.46 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.693 -0.765 . . . . 0.0 111.961 179.208 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 29.0 m -53.44 -36.36 61.48 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.656 0.243 . . . . 0.0 111.656 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.446 ' CE2' ' HB3' ' A' ' 176' ' ' GLU . 23.5 m-85 -74.23 -46.56 40.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.711 0.291 . . . . 0.0 110.938 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 84.1 m -58.94 -43.26 91.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.608 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.606 HD11 HD21 ' A' ' 146' ' ' LEU . 26.8 mm -61.89 -48.41 88.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.229 179.44 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . 0.434 ' HA ' ' CE1' ' A' ' 162' ' ' HIS . 5.3 tp60 -57.83 -38.48 75.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.771 179.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.83 -25.17 44.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.348 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -80.27 -41.47 24.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.219 -179.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.562 ' CD1' HG23 ' A' ' 124' ' ' ILE . 1.2 mp -113.05 1.63 15.41 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.308 -178.2 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 C-N-CA 120.368 -0.92 . . . . 0.0 112.554 179.715 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.806 ' CG1' HD11 ' A' ' 146' ' ' LEU . 21.4 t . . . . . 0 CA--C 1.528 0.114 0 CA-C-O 120.726 0.298 . . . . 0.0 111.444 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 28.1 t -64.09 -14.24 53.26 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.639 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -87.32 -26.77 23.24 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.763 0.316 . . . . 0.0 110.971 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' PHE . . . . . 0.48 ' CZ ' HD11 ' A' ' 128' ' ' LEU . 73.2 m-85 -93.44 129.36 39.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.017 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . 0.622 ' O ' HG11 ' A' ' 105' ' ' VAL . 5.5 mttt -85.92 92.13 8.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.945 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.806 HD11 ' CG1' ' A' ' 141' ' ' VAL . 2.9 mt -92.6 -19.15 22.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.278 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.582 ' HB1' ' HD2' ' A' ' 148' ' ' PRO . . . -171.23 161.62 5.28 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.182 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' PRO . . . . . 0.582 ' HD2' ' HB1' ' A' ' 147' ' ' ALA . 57.5 Cg_endo -71.15 -41.13 2.78 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.542 2.162 . . . . 0.0 112.285 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -107.08 70.94 0.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.776 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . 0.597 ' HG3' HD23 ' A' ' 154' ' ' LEU . 10.5 tt0 -80.05 121.65 25.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.013 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 5.5 p -120.72 168.15 11.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.812 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . 0.402 ' HG2' ' N ' ' A' ' 153' ' ' GLU . 0.0 OUTLIER -50.23 -33.41 19.47 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.589 179.758 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . 0.454 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 0.4 OUTLIER -63.51 -55.86 20.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.638 179.907 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.917 ' O ' HG23 ' A' ' 158' ' ' VAL . 43.4 tp -62.54 -40.34 96.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.289 179.662 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . 0.404 ' HG2' ' HG2' ' A' ' 150' ' ' GLN . 2.5 mm-40 -61.83 -53.91 49.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.67 179.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -54.74 -50.48 68.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.165 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 13.2 tptt -57.65 -34.68 69.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.369 -179.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.917 HG23 ' O ' ' A' ' 154' ' ' LEU . 91.9 t -67.05 -51.82 50.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.806 0.336 . . . . 0.0 111.211 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 10.4 mtm -68.2 -41.21 81.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.316 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.22 -54.23 43.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.012 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 9.9 mt -56.79 -40.91 76.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.852 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 162' ' ' HIS . . . . . 0.434 ' CE1' ' HA ' ' A' ' 125' ' ' GLN . 3.2 t-160 -57.98 -54.55 45.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.723 179.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.12 -31.45 71.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.956 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.417 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . 0.416 ' HB ' ' HD2' ' A' ' 170' ' ' PRO . 69.8 p . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.684 0.278 . . . . 0.0 110.656 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . 0.416 ' HD2' ' HB ' ' A' ' 169' ' ' THR . 55.0 Cg_exo -51.33 -54.34 5.57 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.4 2.067 . . . . 0.0 111.638 179.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -51.23 -42.62 61.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.414 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.79 -44.38 86.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.62 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -67.69 -45.06 76.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.606 179.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -58.28 -41.58 84.68 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.561 179.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 175' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 175' ' ' LEU . 12.2 tp -72.47 -33.07 66.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.023 179.285 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 176' ' ' GLU . . . . . 0.446 ' HB3' ' CE2' ' A' ' 122' ' ' TYR . 23.0 mm-40 -59.43 -54.27 48.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.892 -179.104 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 177' ' ' PHE . . . . . 0.69 ' CD2' HD22 ' A' ' 119' ' ' LEU . 47.1 t80 -70.85 -43.6 68.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.671 -0.24 . . . . 0.0 110.988 -179.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 178' ' ' LEU . . . . . 0.523 HD11 ' CG ' ' A' ' 93' ' ' ARG . 28.4 mt -61.28 -41.23 96.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.858 0.361 . . . . 0.0 110.705 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -69.08 -32.58 72.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.811 179.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -72.82 -49.8 28.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.273 179.416 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -61.81 -37.81 85.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.743 179.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 9.1 mttm -68.75 -35.99 77.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.745 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -77.54 -21.4 52.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.186 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.6 mt -93.03 -1.53 56.52 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.41 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.98 36.72 12.32 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.802 0.334 . . . . 0.0 110.911 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 31.6 mtp -71.01 -29.51 65.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 187' ' ' TYR . . . . . 0.589 ' CZ ' HD11 ' A' ' 100' ' ' LEU . 45.2 m-85 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.93 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.432 ' HA ' HG22 ' A' ' 92' ' ' THR . 18.8 mt-10 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.865 0.364 . . . . 0.0 110.838 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.49 -47.71 39.12 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 179.178 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 49.6 mm -60.2 -46.46 94.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.979 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.465 HG23 ' N ' ' A' ' 93' ' ' ARG . 9.3 t -63.87 -50.9 66.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.019 -179.703 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.465 ' N ' HG23 ' A' ' 92' ' ' THR . 1.5 tmm_? -54.44 -51.11 66.0 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 120.537 0.208 . . . . 0.0 111.465 -179.018 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -54.18 -53.05 58.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.916 0.389 . . . . 0.0 110.736 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -64.13 -28.44 69.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.022 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.428 ' HA ' HD12 ' A' ' 96' ' ' LEU . 5.9 tp -69.28 -55.33 10.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.887 0.375 . . . . 0.0 110.643 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 72.7 m -52.82 -44.38 66.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.706 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 89.3 mt -62.56 -38.75 91.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.643 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.449 ' HA ' ' HG2' ' A' ' 102' ' ' GLN . 0.0 OUTLIER -65.89 -45.86 80.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.059 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.458 ' O ' HD12 ' A' ' 104' ' ' ILE . 3.0 mm? -69.51 -33.59 73.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.009 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.482 ' O ' HG22 ' A' ' 105' ' ' VAL . 0.0 OUTLIER -74.29 -34.16 63.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.399 -179.578 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.449 ' HG2' ' HA ' ' A' ' 99' ' ' GLN . 10.5 pt20 -71.75 -38.49 70.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.75 0.31 . . . . 0.0 110.958 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.409 ' N ' ' HG3' ' A' ' 102' ' ' GLN . 1.2 m-20 -70.48 -44.31 67.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.216 -179.713 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.458 HD12 ' O ' ' A' ' 100' ' ' LEU . 35.3 mt -61.6 -54.31 36.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.425 -179.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 101' ' ' ARG . 35.1 m -57.1 -32.03 38.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.64 -0.254 . . . . 0.0 111.553 -179.654 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -82.53 -3.83 56.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.508 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 66.83 38.26 92.86 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.585 -0.816 . . . . 0.0 112.426 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 14.9 ttt180 -91.3 4.1 53.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.557 0.217 . . . . 0.0 111.384 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 30.1 mt -152.16 138.9 12.18 Favored Pre-proline 0 C--N 1.332 -0.194 0 CA-C-O 120.66 0.267 . . . . 0.0 110.768 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.31 123.34 7.64 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.472 2.115 . . . . 0.0 112.409 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 66.7 m -139.94 168.26 20.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.739 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.0 162.72 12.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.083 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -56.84 -48.23 78.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.913 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.2 -47.51 78.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.664 -179.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.633 HG22 ' CD1' ' A' ' 119' ' ' LEU . 92.5 m -65.26 -41.8 93.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.859 0.362 . . . . 0.0 110.534 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.418 ' HA ' HD23 ' A' ' 116' ' ' LEU . 14.1 mt -56.78 -47.13 80.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.273 179.513 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.543 ' HB1' ' HB3' ' A' ' 157' ' ' LYS . . . -70.2 -35.32 73.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.553 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 8.0 tt -67.73 -51.78 45.25 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.874 0.368 . . . . 0.0 110.946 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.633 ' CD1' HG22 ' A' ' 115' ' ' THR . 13.4 mt -62.06 -34.02 75.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.409 179.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.483 ' CA ' HD22 ' A' ' 146' ' ' LEU . . . -71.38 -52.02 14.75 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.028 179.336 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 58.8 p -54.01 -34.36 59.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.606 0.241 . . . . 0.0 111.389 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.436 ' CE2' ' HB3' ' A' ' 176' ' ' GLU . 14.8 m-85 -73.35 -46.66 47.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.797 0.332 . . . . 0.0 110.838 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 16.3 m -59.5 -39.35 83.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.641 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.557 HG23 HD12 ' A' ' 128' ' ' LEU . 28.5 mm -64.22 -49.25 82.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.405 179.519 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . 0.43 ' HA ' ' CE1' ' A' ' 162' ' ' HIS . 2.0 tp60 -59.76 -37.52 79.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.967 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.83 -28.9 44.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.844 0.354 . . . . 0.0 111.319 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -78.63 -41.37 31.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.296 -179.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.843 HD11 ' CE2' ' A' ' 144' ' ' PHE . 1.7 mt -109.77 0.52 18.88 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.04 -178.579 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.411 ' CA ' ' O ' ' A' ' 125' ' ' GLN . . . . . . . . 0 N--CA 1.449 -0.47 0 C-N-CA 120.468 -0.872 . . . . 0.0 112.448 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.877 ' CG1' HD11 ' A' ' 146' ' ' LEU . 5.0 t . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.752 0.311 . . . . 0.0 111.234 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.25 -14.47 55.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.476 179.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -84.94 -30.56 24.2 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.822 0.344 . . . . 0.0 110.813 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' PHE . . . . . 0.843 ' CE2' HD11 ' A' ' 128' ' ' LEU . 90.7 m-85 -100.4 120.8 40.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.807 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 2.5 mttp -76.29 100.53 5.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.098 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.877 HD11 ' CG1' ' A' ' 141' ' ' VAL . 1.0 OUTLIER -91.86 -21.14 20.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.049 179.917 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.579 ' HB1' ' HD2' ' A' ' 148' ' ' PRO . . . -170.63 161.81 5.94 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.072 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' PRO . . . . . 0.579 ' HD2' ' HB1' ' A' ' 147' ' ' ALA . 55.3 Cg_endo -70.1 -41.48 3.81 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.545 2.163 . . . . 0.0 112.385 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -107.64 70.66 0.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.812 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -79.31 120.14 23.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.013 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 2.9 p -118.13 169.25 9.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.815 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -49.53 -36.03 22.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.624 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -61.86 -59.92 4.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.665 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.932 ' O ' HG23 ' A' ' 158' ' ' VAL . 43.2 tp -59.21 -41.17 87.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.497 179.665 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.16 -54.03 50.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.641 179.675 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -56.17 -48.39 76.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.543 ' HB3' ' HB1' ' A' ' 117' ' ' ALA . 14.1 tptt -57.51 -33.6 68.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 -179.163 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.932 HG23 ' O ' ' A' ' 154' ' ' LEU . 60.5 t -67.07 -48.42 79.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.888 0.375 . . . . 0.0 110.842 179.512 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 8.3 mtt -68.28 -41.68 80.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.969 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.3 -46.28 90.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.824 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 56.4 mt -64.1 -42.34 96.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.828 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 162' ' ' HIS . . . . . 0.43 ' CE1' ' HA ' ' A' ' 125' ' ' GLN . 4.9 t-160 -56.26 -56.7 17.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.009 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.43 -26.96 62.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.973 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.071 -179.89 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . 0.412 ' HB ' ' HD2' ' A' ' 170' ' ' PRO . 1.2 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.626 0.25 . . . . 0.0 110.716 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . 0.412 ' HD2' ' HB ' ' A' ' 169' ' ' THR . 10.2 Cg_endo -53.42 -51.18 11.53 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.537 2.158 . . . . 0.0 111.967 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -50.71 -46.72 59.12 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.495 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -57.71 -50.76 72.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.806 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -59.91 -43.13 95.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.471 179.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -57.38 -37.93 73.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.322 179.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 175' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' A' ' 175' ' ' LEU . 1.3 tp -72.5 -37.43 68.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.439 179.509 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 176' ' ' GLU . . . . . 0.436 ' HB3' ' CE2' ' A' ' 122' ' ' TYR . 6.3 mm-40 -59.76 -54.62 44.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 112.217 -178.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 177' ' ' PHE . . . . . 0.42 ' CE2' ' HB3' ' A' ' 119' ' ' LEU . 15.0 t80 -70.02 -45.8 66.42 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.977 -0.289 . . . . 0.0 111.025 -179.572 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 178' ' ' LEU . . . . . 0.456 HD11 ' HG2' ' A' ' 93' ' ' ARG . 17.9 mt -60.78 -38.54 85.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.855 0.36 . . . . 0.0 110.692 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -69.67 -32.71 71.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.648 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 180' ' ' ASN . . . . . 0.549 ' HB3' HD21 ' A' ' 119' ' ' LEU . 0.8 OUTLIER -73.68 -49.64 24.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.197 179.389 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -61.8 -37.79 85.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.693 179.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 10.7 ttpp -71.34 -32.62 68.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.702 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 13.3 mtpt -75.53 -20.96 58.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.076 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.5 mt -89.94 -16.44 29.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.225 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 11.9 m 67.25 42.72 2.2 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.902 0.382 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 42.9 mtp -72.39 -30.19 64.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.86 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 187' ' ' TYR . . . . . 0.408 ' CD1' ' N ' ' A' ' 187' ' ' TYR . 3.7 p90 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.926 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.415 ' HA ' HG22 ' A' ' 92' ' ' THR . 3.5 tt0 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.725 0.298 . . . . 0.0 111.252 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -75.06 -49.02 21.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.878 0.37 . . . . 0.0 110.165 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 18.5 mt -65.07 -40.02 87.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.074 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.444 HG23 ' N ' ' A' ' 93' ' ' ARG . 6.2 t -62.85 -51.84 65.44 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.225 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.689 ' HG3' HD11 ' A' ' 178' ' ' LEU . 2.2 ttm105 -54.6 -49.01 71.46 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.735 0.303 . . . . 0.0 110.831 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -50.41 -58.98 4.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.958 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -59.43 -43.66 93.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.748 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.6 tp -51.67 -55.25 20.53 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.13 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.6 m -57.43 -39.79 76.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.864 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 64.5 mt -62.98 -46.74 86.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.07 -48.2 77.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.008 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.463 HD11 ' CE1' ' A' ' 187' ' ' TYR . 6.9 mt -56.24 -50.82 70.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.955 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.717 ' HA ' HD12 ' A' ' 104' ' ' ILE . 5.0 ttm180 -63.79 -28.57 69.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.162 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -71.34 -39.74 71.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.182 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -70.93 -35.48 72.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.229 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.717 HD12 ' HA ' ' A' ' 101' ' ' ARG . 9.2 mt -68.02 -52.39 39.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.444 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.422 HG11 ' HG3' ' A' ' 145' ' ' LYS . 28.3 m -59.48 -31.96 47.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.667 -179.574 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -81.95 -2.1 50.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.588 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 68.57 34.26 78.41 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.583 -0.817 . . . . 0.0 112.331 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.68 2.52 54.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.492 0.186 . . . . 0.0 111.411 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.603 HD22 ' SD ' ' A' ' 186' ' ' MET . 0.6 OUTLIER -154.11 134.08 7.81 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-O 120.564 0.221 . . . . 0.0 110.67 179.895 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.31 124.28 10.29 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.49 2.127 . . . . 0.0 112.46 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 14.7 m -140.01 144.48 36.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.727 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 41.2 m -80.56 161.59 24.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.109 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -54.31 -47.08 72.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.94 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -55.96 -52.36 64.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.583 -178.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.738 HG22 HD11 ' A' ' 119' ' ' LEU . 97.4 m -59.79 -46.06 90.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.802 0.334 . . . . 0.0 110.686 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 116' ' ' LEU . 30.2 mt -52.82 -48.76 66.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.009 0.433 . . . . 0.0 110.408 179.583 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -68.05 -35.63 78.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.686 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 8.3 tt -68.22 -52.08 38.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.784 0.326 . . . . 0.0 111.185 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.738 HD11 HG22 ' A' ' 115' ' ' THR . 8.7 mt -60.45 -34.73 74.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.995 0.426 . . . . 0.0 110.475 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.418 ' O ' HG12 ' A' ' 124' ' ' ILE . . . -71.24 -51.05 19.26 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.112 179.392 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 40.7 m -53.39 -35.36 60.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.594 0.235 . . . . 0.0 111.602 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.438 ' CD2' ' HB3' ' A' ' 176' ' ' GLU . 21.1 m-85 -75.65 -42.07 52.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.748 0.309 . . . . 0.0 111.025 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . 0.433 HG21 ' HE ' ' A' ' 101' ' ' ARG . 22.2 m -65.89 -40.09 91.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.77 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.488 HG23 ' CD1' ' A' ' 128' ' ' LEU . 20.7 mm -64.65 -50.97 73.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.736 179.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . 0.401 ' O ' ' CA ' ' A' ' 129' ' ' GLY . 4.1 tm0? -59.58 -35.31 74.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.855 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.72 -26.4 44.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.174 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -80.67 -43.58 20.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.059 -179.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.644 HD11 ' CE2' ' A' ' 144' ' ' PHE . 0.8 OUTLIER -106.65 -0.76 23.45 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.881 -0.599 . . . . 0.0 112.123 -178.624 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.401 ' CA ' ' O ' ' A' ' 125' ' ' GLN . . . . . . . . 0 N--CA 1.448 -0.557 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.503 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.913 ' CG1' HD11 ' A' ' 146' ' ' LEU . 3.7 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.77 0.319 . . . . 0.0 111.251 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.7 m -63.04 -14.26 45.87 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.654 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -87.34 -28.72 22.06 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.824 0.345 . . . . 0.0 110.829 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' PHE . . . . . 0.644 ' CE2' HD11 ' A' ' 128' ' ' LEU . 98.8 m-85 -97.19 121.0 38.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . 0.422 ' HG3' HG11 ' A' ' 105' ' ' VAL . 0.0 OUTLIER -72.87 97.55 2.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.063 -179.866 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.913 HD11 ' CG1' ' A' ' 141' ' ' VAL . 0.5 OUTLIER -84.78 -24.74 28.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.085 -179.844 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.745 ' HB1' ' HD2' ' A' ' 148' ' ' PRO . . . -175.74 166.68 1.78 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.129 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' PRO . . . . . 0.745 ' HD2' ' HB1' ' A' ' 147' ' ' ALA . 48.7 Cg_endo -68.89 -37.72 10.99 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.559 2.173 . . . . 0.0 112.275 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -112.98 68.03 0.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.804 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . 0.823 ' NE2' HD12 ' A' ' 146' ' ' LEU . 16.7 tt0 -73.65 122.39 22.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.982 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 2.8 t -118.49 160.6 21.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.899 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 31.3 mttt -45.5 -38.38 6.2 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.295 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -61.15 -52.85 63.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.682 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.937 ' O ' HG23 ' A' ' 158' ' ' VAL . 50.4 tp -60.84 -45.73 93.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.473 179.682 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -58.6 -54.02 51.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.716 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -53.35 -50.33 65.25 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.841 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.4 ' O ' HD12 ' A' ' 161' ' ' LEU . 7.7 tptt -57.74 -31.38 66.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.179 -179.511 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.937 HG23 ' O ' ' A' ' 154' ' ' LEU . 58.5 t -67.03 -52.75 40.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.956 0.408 . . . . 0.0 110.896 179.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 7.7 mtt -68.21 -39.0 82.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.076 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -57.11 -55.07 39.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.045 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.4 HD12 ' O ' ' A' ' 157' ' ' LYS . 10.2 mt -64.75 -32.41 74.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 162' ' ' HIS . . . . . 0.48 ' CE1' HG22 ' A' ' 124' ' ' ILE . 7.1 t-160 -60.75 -56.76 17.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.76 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -73.18 -28.16 62.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.901 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 38.2 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.458 -179.766 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 32.4 p . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.732 0.301 . . . . 0.0 110.77 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.11 -54.2 5.44 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.415 2.077 . . . . 0.0 111.765 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -52.6 -40.19 62.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.303 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -45.5 85.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.585 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -65.83 -42.23 90.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.586 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.29 -41.79 89.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.223 0.535 . . . . 0.0 110.358 179.492 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 175' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 175' ' ' LEU . 10.9 tp -72.46 -32.31 66.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.079 179.348 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 176' ' ' GLU . . . . . 0.438 ' HB3' ' CD2' ' A' ' 122' ' ' TYR . 6.1 mm-40 -60.59 -54.1 49.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.908 -179.116 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 177' ' ' PHE . . . . . 0.522 ' CE1' HD22 ' A' ' 119' ' ' LEU . 65.1 t80 -71.48 -40.64 70.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.572 0.225 . . . . 0.0 110.831 -179.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 178' ' ' LEU . . . . . 0.689 HD11 ' HG3' ' A' ' 93' ' ' ARG . 23.5 mt -63.08 -41.88 99.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.893 0.378 . . . . 0.0 110.551 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -69.49 -32.41 71.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.914 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 180' ' ' ASN . . . . . 0.632 ' O ' HD23 ' A' ' 184' ' ' LEU . 0.8 OUTLIER -73.83 -49.97 22.64 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.46 179.614 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -66.12 -38.27 87.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.058 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 4.6 ttmt -64.67 -44.9 88.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.829 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 24.4 mtpt -77.91 -18.7 55.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.909 179.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.632 HD23 ' O ' ' A' ' 180' ' ' ASN . 0.2 OUTLIER -71.3 -13.2 61.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.312 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 4.0 p 66.21 39.25 4.27 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.874 0.369 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 186' ' ' MET . . . . . 0.603 ' SD ' HD22 ' A' ' 109' ' ' LEU . 12.2 mmm -82.51 -32.13 28.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.829 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 187' ' ' TYR . . . . . 0.463 ' CE1' HD11 ' A' ' 100' ' ' LEU . 3.0 p90 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.236 -0.887 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.449 ' HA ' HG22 ' A' ' 92' ' ' THR . 20.6 tt0 . . . . . 0 CA--C 1.527 0.068 0 CA-C-O 120.925 0.393 . . . . 0.0 110.621 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.48 -47.8 38.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.723 179.107 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 43.0 mm -62.63 -48.46 88.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.144 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.487 HG23 ' N ' ' A' ' 93' ' ' ARG . 11.9 t -58.4 -51.75 68.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.315 -179.428 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.487 ' N ' HG23 ' A' ' 92' ' ' THR . 1.9 ttt180 -54.4 -47.28 72.92 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 111.632 0.234 . . . . 0.0 111.632 -178.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -55.25 -53.86 50.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.929 0.395 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -66.88 -28.25 68.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.201 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.56 ' O ' HD12 ' A' ' 100' ' ' LEU . 5.9 tp -67.99 -55.29 13.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.936 0.398 . . . . 0.0 110.675 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 4.0 m -56.01 -44.54 78.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.812 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 46.6 mt -57.24 -45.24 84.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.065 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.419 ' HA ' ' HG2' ' A' ' 102' ' ' GLN . 0.0 OUTLIER -62.21 -45.15 94.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.236 -179.881 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.56 HD12 ' O ' ' A' ' 96' ' ' LEU . 3.6 mp -70.0 -36.09 74.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.309 -179.64 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.657 ' O ' HG22 ' A' ' 105' ' ' VAL . 0.0 OUTLIER -73.51 -33.61 64.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.471 -179.57 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.419 ' HG2' ' HA ' ' A' ' 99' ' ' GLN . 5.2 pt20 -71.88 -37.83 70.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.804 0.335 . . . . 0.0 110.802 179.587 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.83 -46.99 61.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.175 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.452 HD12 ' O ' ' A' ' 100' ' ' LEU . 27.2 mt -59.73 -52.78 57.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.399 -179.661 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.657 HG22 ' O ' ' A' ' 101' ' ' ARG . 28.0 m -59.57 -32.26 48.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.737 0.303 . . . . 0.0 111.428 -179.708 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.36 -3.18 41.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.582 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 69.96 28.26 72.02 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.459 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.21 1.74 39.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.559 0.219 . . . . 0.0 111.411 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -152.52 117.88 2.99 Favored Pre-proline 0 C--N 1.332 -0.187 0 CA-C-O 120.548 0.213 . . . . 0.0 110.739 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.82 126.56 22.89 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.424 2.083 . . . . 0.0 112.401 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 93.1 m -140.82 168.3 20.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.75 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.1 t -102.08 167.22 10.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.11 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.411 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 18.9 t80 -60.66 -50.24 74.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.859 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.35 -42.15 77.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.591 -179.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.52 HG22 ' CD1' ' A' ' 119' ' ' LEU . 93.0 m -71.22 -37.65 72.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.88 0.371 . . . . 0.0 110.34 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 17.8 mt -59.95 -45.35 92.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.086 179.334 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.99 -34.15 64.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.57 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 8.0 tt -69.71 -52.04 29.01 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.841 0.353 . . . . 0.0 110.923 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.52 ' CD1' HG22 ' A' ' 115' ' ' THR . 58.1 mt -65.11 -33.88 77.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.104 0.478 . . . . 0.0 110.203 179.541 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.437 ' O ' HG12 ' A' ' 124' ' ' ILE . . . -71.14 -50.49 22.26 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.647 179.122 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.402 ' OG ' ' HB2' ' A' ' 161' ' ' LEU . 41.7 m -56.43 -32.43 64.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.728 0.299 . . . . 0.0 111.118 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -71.36 -46.12 61.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.852 0.358 . . . . 0.0 110.352 179.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 72.1 m -60.16 -37.76 81.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.566 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.621 HD11 HD21 ' A' ' 146' ' ' LEU . 28.0 mm -62.91 -49.17 84.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.109 179.349 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -56.33 -40.63 74.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.668 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.87 -24.38 44.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.712 -179.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.83 -41.86 20.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.946 0.403 . . . . 0.0 111.492 -178.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.604 ' CD1' HG23 ' A' ' 124' ' ' ILE . 1.1 mp -113.66 1.46 14.92 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.313 -178.098 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.585 0 C-N-CA 120.451 -0.881 . . . . 0.0 112.286 -179.945 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.79 HG12 HD11 ' A' ' 146' ' ' LEU . 37.1 t . . . . . 0 CA--C 1.528 0.1 0 CA-C-O 120.853 0.359 . . . . 0.0 111.063 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.6 m -65.4 -14.27 60.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.375 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -83.96 -26.5 29.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.717 0.294 . . . . 0.0 111.021 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' PHE . . . . . 0.467 ' CE2' HD21 ' A' ' 128' ' ' LEU . 99.2 m-85 -101.81 129.08 47.93 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.107 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . 0.619 ' O ' HG11 ' A' ' 105' ' ' VAL . 4.9 mtmp? -81.49 95.1 6.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.137 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.79 HD11 HG12 ' A' ' 141' ' ' VAL . 0.3 OUTLIER -89.46 -20.2 24.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.227 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.58 ' HB1' ' HD2' ' A' ' 148' ' ' PRO . . . -166.3 162.14 12.14 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.11 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' PRO . . . . . 0.58 ' HD2' ' HB1' ' A' ' 147' ' ' ALA . 50.3 Cg_endo -69.66 -48.56 0.71 Allowed 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.509 2.139 . . . . 0.0 112.327 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -104.19 70.61 0.98 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.714 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . 0.669 ' NE2' HD12 ' A' ' 146' ' ' LEU . 7.4 tt0 -71.28 118.01 13.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.283 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 5.1 t -116.03 162.03 17.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.647 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -44.82 -44.18 9.26 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.211 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . 0.411 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 1.2 mm-40 -57.01 -48.24 78.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.91 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.942 ' O ' HG23 ' A' ' 158' ' ' VAL . 60.2 tp -67.7 -36.8 81.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.391 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -62.47 -53.95 47.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.606 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -57.6 -48.49 79.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.912 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.48 -34.19 68.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.304 -179.15 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.942 HG23 ' O ' ' A' ' 154' ' ' LEU . 88.2 t -67.09 -48.52 78.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.874 0.369 . . . . 0.0 110.848 179.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 14.2 mtt -68.47 -42.63 78.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.308 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.15 -55.29 36.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.267 -179.524 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.402 ' HB2' ' OG ' ' A' ' 121' ' ' SER . 71.0 mt -64.26 -36.91 85.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.889 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 162' ' ' HIS . . . . . 0.411 ' CE1' HG22 ' A' ' 124' ' ' ILE . 18.2 t-160 -57.03 -52.95 63.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.668 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -74.09 -26.46 60.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.737 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 29.8 m . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.191 -179.955 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . 0.471 ' HB ' ' HD2' ' A' ' 170' ' ' PRO . 17.0 p . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.692 0.282 . . . . 0.0 110.791 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . 0.471 ' HD2' ' HB ' ' A' ' 169' ' ' THR . 9.0 Cg_endo -50.32 -48.46 19.98 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.728 2.286 . . . . 0.0 112.264 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -49.16 -40.98 34.98 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.234 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -44.21 95.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.675 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -67.4 -45.15 77.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.748 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.28 -40.92 78.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.619 179.592 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 175' ' ' LEU . . . . . 0.452 ' HG ' ' HG3' ' A' ' 179' ' ' GLU . 10.9 tp -72.28 -36.45 68.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.245 179.609 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -57.62 -54.28 48.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.077 -0.51 . . . . 0.0 112.1 -179.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 177' ' ' PHE . . . . . 0.439 ' CD2' HD22 ' A' ' 119' ' ' LEU . 12.1 t80 -71.26 -43.81 66.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.603 0.239 . . . . 0.0 110.898 -179.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 178' ' ' LEU . . . . . 0.486 HD11 ' HG3' ' A' ' 93' ' ' ARG . 20.4 mt -59.47 -42.09 91.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.831 0.348 . . . . 0.0 110.756 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 179' ' ' GLU . . . . . 0.452 ' HG3' ' HG ' ' A' ' 175' ' ' LEU . 2.4 mt-10 -69.5 -32.55 71.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.805 179.61 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 180' ' ' ASN . . . . . 0.813 ' O ' HD12 ' A' ' 184' ' ' LEU . 1.0 OUTLIER -70.83 -50.0 40.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.208 179.348 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -62.92 -37.86 88.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.081 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.91 -36.23 81.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.526 179.731 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.57 -18.38 64.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.0 179.686 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.813 HD12 ' O ' ' A' ' 180' ' ' ASN . 1.0 OUTLIER -107.89 -4.45 17.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.788 -179.42 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.16 81.9 0.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.861 0.362 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 16.8 mmm -108.63 -30.06 8.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 187' ' ' TYR . . . . . 0.433 ' CD1' ' N ' ' A' ' 187' ' ' TYR . 2.2 p90 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.487 ' HA ' HG22 ' A' ' 92' ' ' THR . 2.8 mt-10 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.837 0.351 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -72.58 -48.64 38.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.183 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 14.8 mt -66.81 -44.64 89.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.271 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.487 HG22 ' HA ' ' A' ' 89' ' ' GLU . 10.2 t -58.38 -52.05 67.26 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.524 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.526 ' CG ' HD11 ' A' ' 178' ' ' LEU . 7.0 ttm105 -54.75 -45.79 74.24 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-O 120.715 0.293 . . . . 0.0 110.942 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -52.42 -59.13 4.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.915 0.388 . . . . 0.0 110.823 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -59.87 -43.99 94.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.694 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.4 tp -51.55 -55.42 19.19 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 2.9 t -56.41 -41.06 75.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.743 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 29.1 mt -62.74 -32.72 73.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.427 ' HA ' ' HG2' ' A' ' 102' ' ' GLN . 0.0 OUTLIER -72.61 -43.63 63.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.511 HD11 ' CE2' ' A' ' 187' ' ' TYR . 7.3 mt -69.98 -35.18 74.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.038 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.475 ' O ' HG22 ' A' ' 105' ' ' VAL . 0.0 OUTLIER -72.97 -35.25 66.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.442 -179.577 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.427 ' HG2' ' HA ' ' A' ' 99' ' ' GLN . 11.7 pt20 -71.79 -37.07 70.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.843 0.354 . . . . 0.0 110.922 179.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -70.88 -46.02 63.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.214 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.453 HD12 ' O ' ' A' ' 100' ' ' LEU . 27.0 mt -60.37 -53.28 51.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.356 -179.689 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.726 HG11 ' O ' ' A' ' 145' ' ' LYS . 34.6 m -58.6 -32.16 45.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.513 -179.66 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -79.93 -2.16 42.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.58 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 69.66 29.78 71.11 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.363 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 1.9 mtm180 -82.83 1.62 38.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.539 0.209 . . . . 0.0 111.437 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -153.88 134.73 8.36 Favored Pre-proline 0 C--N 1.332 -0.177 0 CA-C-N 116.73 -0.214 . . . . 0.0 110.589 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.04 123.0 9.58 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.401 2.068 . . . . 0.0 112.462 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -140.56 168.25 20.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.653 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.33 163.15 12.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.053 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.413 ' CZ ' ' HA ' ' A' ' 154' ' ' LEU . 16.5 t80 -57.91 -45.08 87.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.831 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.22 -43.81 78.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.681 -179.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 99.3 m -70.05 -38.01 75.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.904 0.383 . . . . 0.0 110.365 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' ' 116' ' ' LEU . 18.9 mt -59.84 -45.9 90.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.118 179.429 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.25 -34.43 65.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.539 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 7.4 tt -69.54 -52.03 30.11 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.841 0.353 . . . . 0.0 110.896 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.72 HD21 ' HB3' ' A' ' 180' ' ' ASN . 91.1 mt -64.07 -34.65 78.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.074 0.464 . . . . 0.0 110.434 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.402 ' O ' HG12 ' A' ' 124' ' ' ILE . . . -71.35 -50.92 19.29 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.732 -0.747 . . . . 0.0 111.904 179.191 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 19.1 m -55.25 -34.44 64.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.651 0.262 . . . . 0.0 111.491 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.427 ' CE2' ' HB3' ' A' ' 176' ' ' GLU . 9.7 m-85 -73.29 -44.72 58.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.797 0.332 . . . . 0.0 110.71 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 69.4 m -62.36 -38.05 88.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.594 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.555 HG23 HD12 ' A' ' 128' ' ' LEU . 23.9 mm -64.14 -49.25 82.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.594 179.557 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . 0.412 ' O ' ' CA ' ' A' ' 129' ' ' GLY . 2.8 tp60 -59.9 -36.81 77.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.87 -29.24 44.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.235 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -78.6 -39.89 36.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.305 -179.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.555 HD12 HG23 ' A' ' 124' ' ' ILE . 1.5 mt -110.93 -0.2 16.87 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.077 -178.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . 0.412 ' CA ' ' O ' ' A' ' 125' ' ' GLN . . . . . . . . 0 N--CA 1.448 -0.517 0 C-N-CA 120.552 -0.833 . . . . 0.0 112.421 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.567 HG21 ' HG3' ' A' ' 159' ' ' MET . 13.3 t . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.872 0.367 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 42.0 t -65.82 -14.31 61.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.428 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -85.23 -30.61 23.71 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.868 0.366 . . . . 0.0 110.787 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' PHE . . . . . 0.516 ' CE2' HD11 ' A' ' 128' ' ' LEU . 95.4 m-85 -97.01 125.38 41.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.843 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . 0.726 ' O ' HG11 ' A' ' 105' ' ' VAL . 4.4 mtmp? -78.25 96.97 5.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.439 ' C ' HG12 ' A' ' 105' ' ' VAL . 1.0 OUTLIER -97.95 -23.6 15.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.104 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -157.65 153.73 23.51 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.236 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.85 -50.0 1.3 Allowed 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.563 2.175 . . . . 0.0 112.324 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -105.5 66.7 0.75 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.543 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . 0.421 ' HG3' HD23 ' A' ' 154' ' ' LEU . 15.3 tt0 -59.23 123.3 16.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.209 -179.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 2.8 p -112.57 149.55 32.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.607 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.76 -39.33 5.12 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.915 0.388 . . . . 0.0 110.666 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -63.87 -41.19 97.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.491 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.933 ' O ' HG23 ' A' ' 158' ' ' VAL . 51.5 tp -70.28 -45.96 65.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.07 0.462 . . . . 0.0 109.994 179.28 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -58.75 -53.74 54.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.457 179.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -54.28 -50.48 67.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.826 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 14.9 tptt -57.52 -30.15 64.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.928 -179.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.933 HG23 ' O ' ' A' ' 154' ' ' LEU . 62.6 t -67.04 -50.43 64.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.0 0.428 . . . . 0.0 110.526 179.392 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 159' ' ' MET . . . . . 0.567 ' HG3' HG21 ' A' ' 141' ' ' VAL . 7.9 mtt -68.35 -40.52 81.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.94 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -57.03 -55.3 36.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.052 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 15.0 mt -62.03 -34.81 76.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.811 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 162' ' ' HIS . . . . . 0.457 ' CE1' HG22 ' A' ' 124' ' ' ILE . 7.8 t-160 -56.69 -55.67 31.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.753 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 28.2 mttt -72.85 -27.31 61.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.98 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 19.5 p . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.204 -179.852 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . 0.402 ' CB ' ' HD2' ' A' ' 170' ' ' PRO . 0.5 OUTLIER . . . . . 0 CA--C 1.528 0.111 0 CA-C-O 120.642 0.258 . . . . 0.0 110.867 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . 0.402 ' HD2' ' CB ' ' A' ' 169' ' ' THR . 19.0 Cg_endo -58.92 -45.57 27.85 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.566 2.177 . . . . 0.0 112.152 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -51.74 -43.08 62.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.273 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.91 -46.95 84.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.727 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -65.55 -44.57 86.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.669 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -57.29 -39.48 75.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.291 0.567 . . . . 0.0 110.526 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 12.8 tp -72.64 -33.28 66.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.266 179.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 176' ' ' GLU . . . . . 0.427 ' HB3' ' CE2' ' A' ' 122' ' ' TYR . 50.1 mm-40 -61.39 -54.54 42.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 112.027 -178.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 177' ' ' PHE . . . . . 0.514 ' CD2' HD22 ' A' ' 119' ' ' LEU . 15.1 t80 -68.76 -45.74 70.62 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.628 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 178' ' ' LEU . . . . . 0.526 HD11 ' CG ' ' A' ' 93' ' ' ARG . 34.7 mt -59.98 -38.59 82.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.882 0.372 . . . . 0.0 110.431 179.664 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -67.68 -33.34 74.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.833 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 180' ' ' ASN . . . . . 0.787 ' O ' HD12 ' A' ' 184' ' ' LEU . 0.6 OUTLIER -71.2 -49.66 41.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.183 179.476 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -60.97 -38.55 86.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.712 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.41 -35.05 78.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.772 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.02 -19.73 65.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.949 179.582 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.787 HD12 ' O ' ' A' ' 180' ' ' ASN . 1.2 mp -104.07 14.1 31.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.762 -179.417 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 6.3 m 53.26 32.7 13.96 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.823 0.344 . . . . 0.0 111.219 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 186' ' ' MET . . . . . 0.495 ' HB3' HD21 ' A' ' 100' ' ' LEU . 6.2 mmm -64.35 -33.75 76.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.84 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 187' ' ' TYR . . . . . 0.511 ' CE2' HD11 ' A' ' 100' ' ' LEU . 35.5 m-85 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.917 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.434 ' O ' ' HB2' ' A' ' 93' ' ' ARG . 2.7 pt-20 . . . . . 0 N--CA 1.461 0.082 0 CA-C-O 120.953 0.406 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.93 -46.73 88.46 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.221 179.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 48.1 mm -60.75 -47.59 92.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.799 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.432 HG22 ' O ' ' A' ' 89' ' ' GLU . 10.1 t -67.01 -48.84 67.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.543 -0.298 . . . . 0.0 111.016 -179.603 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.685 ' CG ' HD11 ' A' ' 178' ' ' LEU . 3.6 ttp180 -54.41 -50.03 68.55 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.299 -179.127 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -57.28 -52.96 63.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.958 0.409 . . . . 0.0 110.739 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.475 ' HA ' HD12 ' A' ' 98' ' ' LEU . 14.6 m-85 -61.94 -28.42 69.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.959 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 96' ' ' LEU . 5.9 tp -66.16 -55.22 17.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 75.1 m -57.23 -40.28 77.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.475 HD12 ' HA ' ' A' ' 95' ' ' TYR . 30.1 mt -59.48 -50.98 71.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -66.01 -46.4 78.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.004 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.553 HD11 ' CE1' ' A' ' 187' ' ' TYR . 2.8 mt -59.72 -46.44 89.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.546 ' HA ' HD12 ' A' ' 104' ' ' ILE . 4.6 tmm_? -66.39 -28.46 68.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.159 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.15 -39.43 71.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -70.68 -39.82 73.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.546 HD12 ' HA ' ' A' ' 101' ' ' ARG . 14.7 mt -64.13 -52.12 60.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.229 -179.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 27.3 m -58.07 -32.35 43.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.561 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -82.83 -3.71 57.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.54 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 69.08 32.85 73.27 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.297 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -84.62 2.65 40.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.533 0.206 . . . . 0.0 111.392 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.1 tt -156.62 118.78 2.2 Favored Pre-proline 0 C--N 1.332 -0.171 0 CA-C-O 120.537 0.208 . . . . 0.0 110.711 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.87 129.44 35.22 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.462 2.108 . . . . 0.0 112.422 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 61.1 m -141.92 157.58 44.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.704 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 17.7 p -88.76 160.47 17.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.035 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -58.56 -49.76 76.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.852 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.39 -39.49 73.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.493 -179.165 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.459 HG22 ' CD1' ' A' ' 119' ' ' LEU . 92.1 m -71.91 -40.03 69.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.881 0.372 . . . . 0.0 110.347 179.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 116' ' ' LEU . 19.7 mt -58.74 -47.11 85.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.287 179.495 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.548 ' HB1' ' HB3' ' A' ' 157' ' ' LYS . . . -71.43 -35.9 71.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.461 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 9.0 tt -67.18 -51.81 49.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.917 0.389 . . . . 0.0 110.844 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.677 HD22 ' CD2' ' A' ' 177' ' ' PHE . 54.0 mt -62.2 -33.77 75.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.187 179.491 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.412 ' O ' HG12 ' A' ' 124' ' ' ILE . . . -71.32 -51.8 15.84 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.216 179.267 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 14.1 m -53.68 -36.42 62.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.645 0.26 . . . . 0.0 111.436 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.453 ' CG ' ' OE2' ' A' ' 176' ' ' GLU . 26.0 m-85 -72.69 -44.7 61.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.724 0.297 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 18.2 m -58.84 -41.03 85.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.887 0.375 . . . . 0.0 110.373 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.546 HG23 ' CD1' ' A' ' 128' ' ' LEU . 23.1 mm -62.39 -47.69 91.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.261 179.232 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -57.76 -38.15 74.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.64 179.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 21.6 t -78.81 -24.62 44.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.194 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.91 -40.64 24.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.335 -179.088 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.546 ' CD1' HG23 ' A' ' 124' ' ' ILE . 1.5 mp -114.74 1.41 14.14 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.351 -178.078 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.211 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.565 179.827 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.89 ' CG1' HD11 ' A' ' 146' ' ' LEU . 25.5 t . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.718 0.294 . . . . 0.0 111.221 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.1 m -63.98 -14.15 51.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.621 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.51 -28.34 22.08 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.777 0.322 . . . . 0.0 110.89 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -94.29 128.5 40.82 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.992 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 15.3 mtmt -83.0 93.36 7.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.013 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.89 HD11 ' CG1' ' A' ' 141' ' ' VAL . 2.9 mt -87.44 -19.83 27.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.255 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.63 ' HB1' ' HD2' ' A' ' 148' ' ' PRO . . . -171.24 163.04 5.18 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 120.745 0.307 . . . . 0.0 111.181 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' PRO . . . . . 0.63 ' HD2' ' HB1' ' A' ' 147' ' ' ALA . 43.8 Cg_endo -68.14 -46.63 2.12 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.57 2.18 . . . . 0.0 112.195 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 -104.78 70.49 0.93 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.789 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -75.7 118.77 18.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.026 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 1.9 t -115.79 161.5 18.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.741 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 153' ' ' GLU . 0.1 OUTLIER -44.9 -39.22 5.23 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.242 -179.849 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . 0.402 ' N ' ' HG3' ' A' ' 152' ' ' LYS . 4.8 mm-40 -60.4 -49.31 78.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.697 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.931 ' O ' HG23 ' A' ' 158' ' ' VAL . 41.4 tp -64.23 -43.57 94.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.386 179.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -60.01 -54.02 50.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.636 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -53.54 -51.34 63.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.548 ' HB3' ' HB1' ' A' ' 117' ' ' ALA . 2.2 tptm -57.47 -31.8 66.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.082 -179.243 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.931 HG23 ' O ' ' A' ' 154' ' ' LEU . 93.3 t -67.09 -51.41 54.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.836 0.35 . . . . 0.0 110.887 179.589 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 8.8 mtt -68.16 -41.46 81.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.113 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -59.41 -53.63 55.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 26.3 mt -61.23 -37.85 84.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 162' ' ' HIS . . . . . 0.489 ' CE1' HG22 ' A' ' 124' ' ' ILE . 9.2 t-160 -56.8 -56.6 19.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.699 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.86 -26.79 63.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.762 179.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 47.2 t . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.143 179.959 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . 0.448 ' HB ' ' HD2' ' A' ' 170' ' ' PRO . 40.2 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.618 0.247 . . . . 0.0 110.722 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . 0.448 ' HD2' ' HB ' ' A' ' 169' ' ' THR . 10.2 Cg_endo -51.44 -47.52 25.69 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.639 2.226 . . . . 0.0 112.135 179.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -49.07 -42.9 40.28 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.434 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.09 -42.13 84.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.873 0.368 . . . . 0.0 110.462 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 173' ' ' ALA . . . . . 0.461 ' O ' ' HG3' ' A' ' 176' ' ' GLU . . . -71.06 -34.24 71.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.471 179.507 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 174' ' ' ASP . . . . . 0.557 ' O ' HD12 ' A' ' 178' ' ' LEU . 0.7 OUTLIER -67.1 -44.77 79.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.348 179.38 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 175' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 175' ' ' LEU . 14.2 tp -72.31 -43.86 63.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.199 -0.909 . . . . 0.0 112.246 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 176' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 173' ' ' ALA . 3.0 pp20? -60.17 -49.09 79.01 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -178.368 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 177' ' ' PHE . . . . . 0.677 ' CD2' HD22 ' A' ' 119' ' ' LEU . 5.5 t80 -71.14 -45.38 63.67 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.474 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 178' ' ' LEU . . . . . 0.685 HD11 ' CG ' ' A' ' 93' ' ' ARG . 59.0 mt -59.83 -37.98 80.72 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.004 0.431 . . . . 0.0 110.14 179.332 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.39 -32.04 70.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.546 179.326 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 180' ' ' ASN . . . . . 0.402 ' O ' ' HG ' ' A' ' 184' ' ' LEU . 5.0 m-80 -71.27 -49.88 38.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.001 179.145 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -61.46 -37.48 83.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.822 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.45 -38.67 87.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.781 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 11.7 mtpt -77.85 -20.92 52.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.176 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 180' ' ' ASN . 1.3 mt -88.96 -5.93 57.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.349 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 5.0 t 62.54 32.34 16.56 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.861 0.362 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 14.7 mmm -64.92 -37.72 88.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 187' ' ' TYR . . . . . 0.553 ' CE1' HD11 ' A' ' 100' ' ' LEU . 4.7 p90 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.171 -0.919 . . . . 0.0 110.928 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.473 ' HA ' HG22 ' A' ' 92' ' ' THR . 3.0 tt0 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.966 0.412 . . . . 0.0 110.621 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.52 -48.01 29.61 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 44.7 mm -60.69 -46.28 96.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.877 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.483 HG23 ' N ' ' A' ' 93' ' ' ARG . 7.5 t -63.98 -52.66 58.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.872 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.483 ' N ' HG23 ' A' ' 92' ' ' THR . 1.6 tmm_? -54.65 -51.14 66.37 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-O 120.621 0.248 . . . . 0.0 111.443 -179.283 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -52.06 -55.97 17.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.865 0.364 . . . . 0.0 111.042 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -60.6 -43.19 97.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.824 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.417 HD21 ' CE2' ' A' ' 187' ' ' TYR . 5.4 tp -51.79 -55.5 19.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.1 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 57.3 m -56.54 -43.46 79.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.877 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 43.7 mt -59.93 -46.97 87.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -65.0 -48.6 73.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.941 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.453 HD11 ' CD1' ' A' ' 187' ' ' TYR . 5.2 mt -57.94 -49.77 75.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.866 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.565 ' O ' HG22 ' A' ' 105' ' ' VAL . 0.0 OUTLIER -62.75 -28.78 70.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.988 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -71.24 -40.26 71.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.841 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -70.81 -40.89 72.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.092 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.563 HD12 ' HA ' ' A' ' 101' ' ' ARG . 10.4 mt -63.82 -53.36 45.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.2 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.565 HG22 ' O ' ' A' ' 101' ' ' ARG . 27.2 m -58.86 -32.47 47.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.318 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -84.0 -1.16 54.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.56 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 68.7 29.43 72.74 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.505 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.05 -0.08 42.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.558 0.218 . . . . 0.0 111.402 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.665 HD23 ' HD2' ' A' ' 110' ' ' PRO . 4.7 mt -149.59 136.96 11.27 Favored Pre-proline 0 C--N 1.332 -0.186 0 CA-C-O 120.628 0.251 . . . . 0.0 110.684 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.665 ' HD2' HD23 ' A' ' 109' ' ' LEU . 61.4 Cg_endo -73.18 120.49 6.6 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.505 2.137 . . . . 0.0 112.256 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 53.4 m -138.97 168.25 20.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.71 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 58.5 m -102.21 160.87 14.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.019 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -54.45 -46.78 73.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.043 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.03 -49.15 74.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.693 -178.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.568 HG22 HD11 ' A' ' 119' ' ' LEU . 80.9 m -63.97 -41.29 97.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.786 0.327 . . . . 0.0 110.561 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 47.6 mt -56.96 -49.7 74.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.08 0.467 . . . . 0.0 110.142 179.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.471 ' HB1' ' HB3' ' A' ' 157' ' ' LYS . . . -67.29 -35.86 80.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.417 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.418 ' HG ' ' CE2' ' A' ' 122' ' ' TYR . 7.4 tt -67.11 -51.97 47.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.886 0.374 . . . . 0.0 110.99 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.72 HD22 ' CD2' ' A' ' 177' ' ' PHE . 17.7 mt -59.92 -33.9 72.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.49 179.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -71.34 -50.81 19.85 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.173 179.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 8.9 m -53.5 -36.9 62.21 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 111.692 0.256 . . . . 0.0 111.692 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.46 ' CE2' ' HB3' ' A' ' 176' ' ' GLU . 23.1 m-85 -74.38 -44.65 51.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.743 0.306 . . . . 0.0 111.023 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 90.3 m -60.47 -43.56 96.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.487 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.51 HG23 HD12 ' A' ' 128' ' ' LEU . 17.6 mm -61.26 -48.64 88.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.258 179.335 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . 0.423 ' HA ' ' CE1' ' A' ' 162' ' ' HIS . 3.0 tm0? -58.54 -38.32 77.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.996 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 29.8 t -78.66 -25.56 44.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.377 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -81.02 -43.82 19.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.282 -179.277 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.51 HD12 HG23 ' A' ' 124' ' ' ILE . 1.1 mt -108.5 0.56 20.99 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.074 -0.512 . . . . 0.0 112.126 -178.563 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 0.283 0 C-N-CA 120.347 -0.93 . . . . 0.0 112.737 179.714 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.843 ' CG1' HD11 ' A' ' 146' ' ' LEU . 2.7 t . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.636 0.255 . . . . 0.0 111.471 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.63 -14.26 29.32 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.677 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -90.27 -27.79 19.22 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.843 0.354 . . . . 0.0 110.724 179.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -93.95 121.16 35.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 12.3 mttm -74.27 94.59 2.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.096 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.945 HD13 HG21 ' A' ' 158' ' ' VAL . 3.9 mt -82.76 -24.1 33.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.989 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.716 ' HB1' ' HD2' ' A' ' 148' ' ' PRO . . . -175.86 165.98 1.81 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.968 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' PRO . . . . . 0.716 ' HD2' ' HB1' ' A' ' 147' ' ' ALA . 31.4 Cg_endo -63.97 -49.28 4.08 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.499 2.133 . . . . 0.0 112.222 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -104.6 69.8 0.91 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.789 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -75.49 121.78 22.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.02 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 4.9 p -120.43 165.94 14.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.827 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 20.9 mttt -49.04 -33.67 11.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.662 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -63.76 -56.16 17.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.531 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.919 ' O ' HG23 ' A' ' 158' ' ' VAL . 40.6 tp -59.42 -46.46 88.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.337 179.498 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -58.0 -54.2 49.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.539 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -53.14 -49.23 67.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.826 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.471 ' HB3' ' HB1' ' A' ' 117' ' ' ALA . 10.7 tptt -57.84 -31.1 66.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 -179.646 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.945 HG21 HD13 ' A' ' 146' ' ' LEU . 44.2 t -66.76 -50.6 64.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.901 0.382 . . . . 0.0 110.72 179.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 9.9 mtt -68.33 -37.82 80.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.984 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.96 -55.31 34.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.15 -179.697 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 11.8 mt -61.17 -36.44 79.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 162' ' ' HIS . . . . . 0.45 ' CE1' HG22 ' A' ' 124' ' ' ILE . 3.5 t-160 -55.76 -50.35 70.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.047 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 9.5 mtpt -81.38 -22.68 38.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.165 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 25.2 p . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.232 -179.845 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.655 0.264 . . . . 0.0 110.805 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -52.77 -52.26 9.26 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.491 2.127 . . . . 0.0 111.732 179.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -49.94 -42.65 48.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.311 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -57.9 -46.35 85.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.605 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -67.06 -39.72 86.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.59 179.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.77 -44.57 95.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.493 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 17.6 tp -72.42 -35.33 68.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.268 179.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 176' ' ' GLU . . . . . 0.46 ' HB3' ' CE2' ' A' ' 122' ' ' TYR . 7.6 mm-40 -59.33 -54.66 44.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.96 -178.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 177' ' ' PHE . . . . . 0.72 ' CD2' HD22 ' A' ' 119' ' ' LEU . 14.8 t80 -69.4 -47.28 64.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.653 0.263 . . . . 0.0 110.888 -179.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 25.5 mt -58.84 -39.39 81.13 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.861 0.362 . . . . 0.0 110.64 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.08 -32.94 72.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.766 179.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 180' ' ' ASN . . . . . 0.834 ' O ' HD12 ' A' ' 184' ' ' LEU . 0.6 OUTLIER -73.17 -49.87 25.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.214 179.502 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -61.32 -37.95 85.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.549 179.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 26.6 tttt -68.83 -34.46 75.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.603 179.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -19.66 65.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.013 179.598 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.834 HD12 ' O ' ' A' ' 180' ' ' ASN . 1.2 mp -104.16 -12.58 16.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.696 -179.458 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 4.3 m 64.27 34.97 10.31 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.829 0.347 . . . . 0.0 110.871 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 2.6 mmm -60.15 -30.6 69.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 187' ' ' TYR . . . . . 0.453 ' CD1' HD11 ' A' ' 100' ' ' LEU . 4.4 p90 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.249 -0.882 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.469 ' HA ' HG22 ' A' ' 92' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.96 0.41 . . . . 0.0 110.631 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.56 -47.91 44.29 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 179.014 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 47.6 mm -60.53 -44.17 95.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.087 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.469 HG22 ' HA ' ' A' ' 89' ' ' GLU . 5.8 t -68.8 -51.24 42.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.487 -179.416 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.459 ' N ' HG23 ' A' ' 92' ' ' THR . 0.0 OUTLIER -54.56 -38.34 66.54 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 -178.479 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.431 ' N ' ' HG3' ' A' ' 93' ' ' ARG . 18.7 t80 -69.63 -51.25 36.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.897 0.379 . . . . 0.0 110.449 179.583 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -61.87 -28.31 69.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.808 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' A' ' 96' ' ' LEU . 5.8 tp -67.9 -55.3 13.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.786 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 39.0 t -55.22 -40.14 70.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.928 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 98' ' ' LEU . 16.1 mt -60.88 -47.73 85.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.723 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -64.71 -47.84 76.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.703 HD11 ' CE1' ' A' ' 187' ' ' TYR . 8.6 mt -60.38 -46.93 88.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.848 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.745 ' HA ' HD12 ' A' ' 104' ' ' ILE . 0.5 OUTLIER -63.22 -28.89 70.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 179.881 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -71.1 -39.36 72.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.114 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -70.95 -34.32 71.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.063 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.745 HD12 ' HA ' ' A' ' 101' ' ' ARG . 10.0 mt -69.36 -54.47 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.363 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.509 HG22 ' O ' ' A' ' 101' ' ' ARG . 26.9 m -58.73 -32.07 45.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.504 -179.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -82.74 -3.24 56.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.625 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 65.8 41.93 95.38 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.37 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -92.68 5.69 50.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.599 0.238 . . . . 0.0 111.442 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.755 HD23 ' HD2' ' A' ' 110' ' ' PRO . 0.2 OUTLIER -156.21 134.8 7.48 Favored Pre-proline 0 CA--C 1.53 0.178 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.623 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.755 ' HD2' HD23 ' A' ' 109' ' ' LEU . 52.5 Cg_endo -69.38 125.83 12.82 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.375 2.05 . . . . 0.0 112.389 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 60.0 m -138.15 168.27 20.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.648 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 41.7 t -101.6 161.74 13.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.916 0.389 . . . . 0.0 111.143 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.444 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 14.2 t80 -56.08 -49.65 73.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.964 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.18 -46.0 79.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.66 -178.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 90.0 m -64.44 -44.09 92.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.823 0.344 . . . . 0.0 110.623 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 116' ' ' LEU . 20.5 mt -54.91 -49.39 71.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.343 179.489 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -67.11 -36.36 81.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.478 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.408 ' HG ' ' CE2' ' A' ' 122' ' ' TYR . 5.8 tt -66.33 -51.77 53.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.917 0.389 . . . . 0.0 110.888 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.543 HD22 ' CD2' ' A' ' 177' ' ' PHE . 43.3 mt -59.92 -33.89 72.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.435 179.669 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.517 ' HA3' HD22 ' A' ' 146' ' ' LEU . . . -71.36 -51.81 15.66 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.184 179.416 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 69.1 m -53.55 -34.91 59.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.57 0.224 . . . . 0.0 111.42 -179.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.424 ' CD2' ' HB3' ' A' ' 176' ' ' GLU . 15.4 m-85 -74.26 -44.19 53.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.841 0.353 . . . . 0.0 110.743 179.775 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . 0.551 HG22 ' OE1' ' A' ' 127' ' ' GLU . 34.0 m -62.2 -41.63 98.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.634 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.496 HG23 HD12 ' A' ' 128' ' ' LEU . 12.2 mm -62.28 -50.08 81.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.526 179.558 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . 0.418 ' HA ' ' CE1' ' A' ' 162' ' ' HIS . 12.5 tp60 -59.28 -36.92 76.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.081 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 53.3 p -78.65 -26.53 45.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.356 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.551 ' OE1' HG22 ' A' ' 123' ' ' THR . 2.1 mt-10 -80.97 -44.46 18.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.28 -179.3 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.91 HD11 ' CE2' ' A' ' 144' ' ' PHE . 1.3 mt -106.91 0.16 23.64 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.052 -0.522 . . . . 0.0 112.13 -178.564 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 0.243 0 C-N-CA 120.422 -0.894 . . . . 0.0 112.758 179.726 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 1.006 HG11 HD11 ' A' ' 146' ' ' LEU . 20.4 t . . . . . 0 CA--C 1.53 0.184 0 CA-C-O 120.709 0.29 . . . . 0.0 111.347 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 7.0 t -63.13 -14.04 43.92 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.737 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -90.76 -24.35 20.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.706 0.289 . . . . 0.0 111.034 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' PHE . . . . . 0.91 ' CE2' HD11 ' A' ' 128' ' ' LEU . 91.8 m-85 -101.18 118.41 36.92 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.11 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.84 97.32 5.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.002 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 1.006 HD11 HG11 ' A' ' 141' ' ' VAL . 2.6 mt -86.11 -20.85 28.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.2 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -172.11 155.92 3.71 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.103 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -63.97 -25.71 66.66 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.535 2.156 . . . . 0.0 112.333 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -125.13 63.49 1.15 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.844 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . 0.406 ' HG3' HD23 ' A' ' 154' ' ' LEU . 11.6 tt0 -69.52 120.67 15.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.965 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 5.4 t -115.78 161.6 18.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.928 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.76 -43.54 8.61 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.31 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . 0.444 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -56.7 -53.42 57.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.751 179.881 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.936 ' O ' HG23 ' A' ' 158' ' ' VAL . 53.4 tp -61.36 -41.85 97.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.539 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -59.36 -53.97 52.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.829 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -54.44 -51.33 65.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.948 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 3.6 tptp -57.46 -30.94 65.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.136 -179.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.948 HG21 HD13 ' A' ' 146' ' ' LEU . 84.5 t -66.98 -49.56 72.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.902 0.382 . . . . 0.0 110.71 179.44 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 28.1 mtm -68.35 -41.26 80.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.117 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.94 -51.26 70.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.135 -179.716 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 11.5 mt -65.39 -36.45 84.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.086 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 162' ' ' HIS . . . . . 0.431 ' CE1' HG22 ' A' ' 124' ' ' ILE . 3.9 t60 -64.89 -56.66 12.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.96 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -31.65 69.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.606 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.406 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . 0.409 ' HB ' ' HD2' ' A' ' 170' ' ' PRO . 19.9 p . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.635 0.255 . . . . 0.0 110.76 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . 0.409 ' HD2' ' HB ' ' A' ' 169' ' ' THR . 10.2 Cg_endo -51.16 -55.22 4.25 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.596 2.197 . . . . 0.0 111.84 179.74 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -51.67 -37.29 49.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.135 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.9 -43.59 86.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.467 179.653 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -67.46 -45.38 76.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.663 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.35 -43.36 83.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.537 179.606 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 175' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' A' ' 175' ' ' LEU . 12.5 tp -72.25 -29.38 63.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.06 179.367 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 176' ' ' GLU . . . . . 0.424 ' HB3' ' CD2' ' A' ' 122' ' ' TYR . 5.7 mm-40 -61.62 -52.49 64.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.684 -179.298 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 177' ' ' PHE . . . . . 0.543 ' CD2' HD22 ' A' ' 119' ' ' LEU . 18.3 t80 -71.62 -43.82 65.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.633 0.254 . . . . 0.0 110.861 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 32.0 mt -61.63 -43.08 99.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.916 0.388 . . . . 0.0 110.614 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -68.0 -32.32 72.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.876 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -73.5 -49.65 25.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.36 179.57 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -61.29 -37.85 84.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.789 179.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 8.1 tptt -71.11 -33.88 70.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.866 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -77.47 -22.24 51.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.111 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.6 mt -89.6 -0.33 57.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.357 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 20.9 m 63.49 36.73 11.04 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.895 0.379 . . . . 0.0 110.928 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 11.7 mtp -64.61 -41.59 96.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.924 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 187' ' ' TYR . . . . . 0.703 ' CE1' HD11 ' A' ' 100' ' ' LEU . 7.6 p90 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.967 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.441 ' HA ' HG22 ' A' ' 92' ' ' THR . 0.7 OUTLIER . . . . . 0 C--O 1.227 -0.088 0 CA-C-O 120.953 0.406 . . . . 0.0 110.916 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -54.94 -46.33 74.95 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.052 0.453 . . . . 0.0 110.544 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 40.6 mm -62.25 -49.29 84.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.915 -179.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.451 HG23 ' N ' ' A' ' 93' ' ' ARG . 7.6 t -65.69 -50.68 64.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.278 -179.34 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.569 ' HG2' HD11 ' A' ' 178' ' ' LEU . 0.0 OUTLIER -54.44 -46.07 73.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.599 0.238 . . . . 0.0 111.438 -179.126 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -58.93 -54.54 45.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.922 0.391 . . . . 0.0 110.638 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -62.46 -28.49 69.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.907 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 96' ' ' LEU . 6.0 tp -66.15 -55.17 17.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.903 0.382 . . . . 0.0 110.643 179.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 35.4 m -55.23 -41.11 71.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.634 179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 48.5 mt -58.93 -44.68 91.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.776 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.502 ' O ' ' HG3' ' A' ' 102' ' ' GLN . 0.9 OUTLIER -64.6 -40.74 96.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 179.91 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.6 HD11 ' CE1' ' A' ' 187' ' ' TYR . 11.1 mt -70.61 -36.79 73.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.547 ' O ' HG22 ' A' ' 105' ' ' VAL . 0.0 OUTLIER -75.98 -35.45 59.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.9 -179.172 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.502 ' HG3' ' O ' ' A' ' 99' ' ' GLN . 0.1 OUTLIER -71.99 -36.37 69.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.894 0.378 . . . . 0.0 110.81 179.526 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -71.11 -49.87 39.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.077 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.461 HD12 ' O ' ' A' ' 100' ' ' LEU . 41.0 mt -57.11 -50.19 77.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.21 -179.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.717 HG11 ' O ' ' A' ' 145' ' ' LYS . 27.6 m -60.03 -32.25 49.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.778 0.323 . . . . 0.0 111.298 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -77.72 -2.7 37.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.617 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 71.45 28.21 70.02 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.502 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 10.8 tpt180 -85.77 2.66 44.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.522 0.201 . . . . 0.0 111.43 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.535 HD23 ' HD2' ' A' ' 110' ' ' PRO . 0.6 OUTLIER -155.97 136.79 9.07 Favored Pre-proline 0 C--N 1.332 -0.191 0 CA-C-O 120.594 0.235 . . . . 0.0 110.647 179.947 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.535 ' HD2' HD23 ' A' ' 109' ' ' LEU . 59.2 Cg_endo -72.08 127.21 12.57 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.45 2.1 . . . . 0.0 112.375 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . 0.573 ' SG ' HD21 ' A' ' 116' ' ' LEU . 6.4 p -138.44 168.26 20.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.731 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.16 162.1 13.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.027 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.451 ' CZ ' ' HB3' ' A' ' 153' ' ' GLU . 15.6 t80 -57.91 -48.78 78.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.923 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.25 -50.63 70.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.7 -178.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.651 HG22 HD11 ' A' ' 119' ' ' LEU . 69.2 m -63.54 -40.6 97.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.821 0.343 . . . . 0.0 110.531 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.573 HD21 ' SG ' ' A' ' 111' ' ' CYS . 13.6 mt -57.65 -46.81 83.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.185 179.449 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.76 -35.23 74.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.373 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 7.6 tt -67.44 -51.78 47.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.898 0.38 . . . . 0.0 110.786 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.664 HD22 ' CD2' ' A' ' 177' ' ' PHE . 13.8 mt -60.56 -35.44 76.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.549 179.689 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.41 ' O ' HG22 ' A' ' 123' ' ' THR . . . -71.31 -52.32 13.77 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.344 179.47 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.479 ' HA ' HG13 ' A' ' 158' ' ' VAL . 28.1 t -53.53 -34.41 58.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.704 0.287 . . . . 0.0 111.457 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.435 ' CE2' ' HB3' ' A' ' 176' ' ' GLU . 16.3 m-85 -74.5 -43.73 54.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.722 0.296 . . . . 0.0 110.814 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . 0.41 HG22 ' O ' ' A' ' 120' ' ' GLY . 0.5 OUTLIER -60.82 -40.27 92.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.393 179.777 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.503 HG23 HD12 ' A' ' 128' ' ' LEU . 27.8 mm -64.02 -47.93 88.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.23 179.357 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . 0.439 ' HA ' ' CE1' ' A' ' 162' ' ' HIS . 15.5 tp60 -58.21 -37.79 75.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.814 179.724 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 13.7 p -78.83 -26.54 44.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.311 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.85 -43.03 23.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.289 -179.245 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.503 HD12 HG23 ' A' ' 124' ' ' ILE . 1.2 mt -110.3 1.96 18.85 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.149 -178.467 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 0.255 0 C-N-CA 120.311 -0.947 . . . . 0.0 112.535 179.771 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 1.082 HG12 HD11 ' A' ' 146' ' ' LEU . 3.0 t . . . . . 0 CA--C 1.528 0.112 0 CA-C-O 120.757 0.313 . . . . 0.0 111.129 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 9.4 t -67.21 -13.96 62.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.394 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.41 -28.81 20.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.836 0.35 . . . . 0.0 110.814 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -80.58 145.37 31.78 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . 0.717 ' O ' HG11 ' A' ' 105' ' ' VAL . 0.1 OUTLIER -89.94 82.79 6.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.068 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 1.082 HD11 HG12 ' A' ' 141' ' ' VAL . 0.6 OUTLIER -89.93 -24.3 21.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.684 ' HB1' ' HD2' ' A' ' 148' ' ' PRO . . . -169.54 165.02 6.47 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.133 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' PRO . . . . . 0.684 ' HD2' ' HB1' ' A' ' 147' ' ' ALA . 56.8 Cg_endo -70.81 -44.41 1.38 Allowed 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.523 2.149 . . . . 0.0 112.283 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -108.33 68.75 0.7 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.827 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . 0.828 ' NE2' HD12 ' A' ' 146' ' ' LEU . 15.5 tt0 -75.48 119.9 20.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.983 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 59.7 p -113.66 164.15 14.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.745 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 2.7 pttm -49.34 -34.06 14.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.461 179.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . 0.451 ' HB3' ' CZ ' ' A' ' 113' ' ' PHE . 27.3 mm-40 -62.75 -55.99 21.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.543 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.945 ' O ' HG23 ' A' ' 158' ' ' VAL . 29.0 tp -59.21 -47.24 86.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.321 179.512 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -57.61 -53.89 53.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.731 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -57.18 -48.99 77.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 8.1 tptt -57.26 -33.97 68.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.279 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.945 HG23 ' O ' ' A' ' 154' ' ' LEU . 49.8 t -67.03 -46.63 84.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.924 0.392 . . . . 0.0 110.627 179.414 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 11.2 mtt -68.2 -42.43 79.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.836 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.29 -54.9 41.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.772 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 52.8 mt -57.62 -38.48 75.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.656 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 162' ' ' HIS . . . . . 0.439 ' CE1' ' HA ' ' A' ' 125' ' ' GLN . 3.1 t-160 -60.28 -56.61 19.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.882 179.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 18.0 mtpp -66.25 -33.2 75.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.077 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 10.9 p . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.441 -179.654 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . 0.466 ' HB ' ' HD2' ' A' ' 170' ' ' PRO . 75.3 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.618 0.247 . . . . 0.0 110.623 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . 0.466 ' HD2' ' HB ' ' A' ' 169' ' ' THR . 6.5 Cg_endo -48.67 -52.04 9.28 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.742 2.295 . . . . 0.0 112.225 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -48.97 -44.32 40.82 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.339 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.97 -44.42 87.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.492 179.741 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -64.98 -45.99 83.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.56 179.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.83 -41.32 82.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.556 179.518 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 9.7 tp -72.34 -37.73 68.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.542 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 176' ' ' GLU . . . . . 0.435 ' HB3' ' CE2' ' A' ' 122' ' ' TYR . 10.3 mm-40 -57.56 -54.55 45.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.271 -0.422 . . . . 0.0 112.102 -178.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 177' ' ' PHE . . . . . 0.664 ' CD2' HD22 ' A' ' 119' ' ' LEU . 9.3 t80 -70.46 -43.56 69.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.142 -179.55 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 178' ' ' LEU . . . . . 0.569 HD11 ' HG2' ' A' ' 93' ' ' ARG . 87.1 mt -61.52 -40.99 96.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.776 0.322 . . . . 0.0 110.953 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -69.54 -32.81 71.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.755 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -72.9 -49.98 26.44 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.333 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -62.05 -37.62 85.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.855 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 19.4 ttpp -68.13 -37.92 81.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.898 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.67 -21.01 52.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.228 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.3 mt -89.49 -0.61 57.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.428 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 11.2 p 59.03 35.29 23.93 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.878 0.37 . . . . 0.0 110.95 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 35.2 mmm -67.37 -15.04 63.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.211 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 187' ' ' TYR . . . . . 0.6 ' CE1' HD11 ' A' ' 100' ' ' LEU . 5.4 m-85 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.918 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.402 ' HA ' HG22 ' A' ' 92' ' ' THR . 14.9 mt-10 . . . . . 0 N--CA 1.46 0.072 0 CA-C-O 120.924 0.392 . . . . 0.0 110.682 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.27 -47.61 48.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.853 179.28 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 46.4 mm -60.77 -46.59 95.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.25 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.451 HG23 ' N ' ' A' ' 93' ' ' ARG . 10.9 t -62.56 -49.89 73.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.318 -179.576 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.613 ' CG ' HD11 ' A' ' 178' ' ' LEU . 0.8 OUTLIER -54.16 -48.18 71.18 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 111.628 0.233 . . . . 0.0 111.628 -178.819 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -57.78 -54.1 50.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.93 0.395 . . . . 0.0 110.877 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -63.55 -28.39 69.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.281 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' A' ' 96' ' ' LEU . 5.8 tp -68.46 -55.41 11.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.903 0.382 . . . . 0.0 110.768 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 60.7 m -54.59 -43.17 71.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.829 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 85.8 mt -59.61 -45.16 92.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -66.36 -48.57 69.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.032 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.626 HD21 ' HB3' ' A' ' 186' ' ' MET . 1.6 mt -61.18 -43.13 99.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.763 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.474 ' O ' HG22 ' A' ' 105' ' ' VAL . 0.0 OUTLIER -66.98 -28.46 68.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.21 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -71.37 -41.92 69.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.231 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -70.42 -41.55 72.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.26 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.423 HD12 ' HA ' ' A' ' 101' ' ' ARG . 11.6 mt -62.89 -52.9 53.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.403 -179.68 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.474 HG22 ' O ' ' A' ' 101' ' ' ARG . 34.0 m -57.82 -32.46 43.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.66 -179.698 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -79.99 -2.01 42.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.608 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 68.26 37.81 86.92 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.541 -0.837 . . . . 0.0 112.166 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 8.2 ttt-85 -93.93 4.18 54.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.485 0.183 . . . . 0.0 111.457 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -153.68 109.03 2.54 Favored Pre-proline 0 C--N 1.332 -0.19 0 CA-C-O 120.592 0.234 . . . . 0.0 110.607 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -50.66 128.59 24.38 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.519 2.146 . . . . 0.0 112.56 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 72.0 m -143.64 168.29 20.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.676 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.95 160.22 14.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.036 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.415 ' CZ ' ' HA ' ' A' ' 154' ' ' LEU . 14.6 t80 -58.31 -46.6 85.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.805 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.52 -42.04 77.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.588 -179.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.524 HG22 ' CD1' ' A' ' 119' ' ' LEU . 96.5 m -71.55 -37.52 71.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.928 0.394 . . . . 0.0 110.335 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.422 ' HA ' HD23 ' A' ' 116' ' ' LEU . 15.8 mt -61.16 -44.78 96.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.179 179.482 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.468 ' HB2' HD12 ' A' ' 154' ' ' LEU . . . -73.91 -34.77 64.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.321 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 8.2 tt -68.76 -51.92 35.99 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.866 0.365 . . . . 0.0 110.757 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.766 HD22 ' CD2' ' A' ' 177' ' ' PHE . 50.2 mt -65.57 -34.47 78.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.235 179.531 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.422 ' CA ' HD22 ' A' ' 146' ' ' LEU . . . -71.28 -49.93 24.05 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.156 179.439 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 11.4 t -57.84 -34.26 69.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.731 0.301 . . . . 0.0 111.212 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.406 ' CE2' ' CD ' ' A' ' 176' ' ' GLU . 15.6 m-85 -72.7 -42.09 64.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.702 179.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 19.4 m -60.16 -42.13 94.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.277 179.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.497 HG23 HD12 ' A' ' 128' ' ' LEU . 17.2 mm -62.55 -45.53 98.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.156 179.271 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . 0.432 ' HA ' ' CE1' ' A' ' 162' ' ' HIS . 7.8 tm0? -57.88 -36.62 72.65 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.589 179.536 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 19.4 m -78.37 -25.47 46.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.905 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -81.4 -40.6 23.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.629 -179.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.566 HD11 ' CE2' ' A' ' 144' ' ' PHE . 1.9 mt -114.35 0.29 14.07 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -178.247 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 C-N-CA 120.482 -0.866 . . . . 0.0 112.693 179.866 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.723 ' CG1' HD11 ' A' ' 146' ' ' LEU . 6.0 t . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.867 0.365 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 31.8 t -63.75 -14.37 51.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.474 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.46 -25.84 17.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.794 0.331 . . . . 0.0 110.723 179.63 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' PHE . . . . . 0.566 ' CE2' HD11 ' A' ' 128' ' ' LEU . 90.0 m-85 -95.2 124.18 39.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.803 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . 0.439 ' O ' HG11 ' A' ' 105' ' ' VAL . 0.0 OUTLIER -81.34 91.87 6.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.178 -179.829 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.723 HD11 ' CG1' ' A' ' 141' ' ' VAL . 2.2 mt -89.43 -23.41 22.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.057 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.553 ' HB1' ' HD2' ' A' ' 148' ' ' PRO . . . -164.24 160.56 16.38 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.111 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' PRO . . . . . 0.553 ' HD2' ' HB1' ' A' ' 147' ' ' ALA . 37.3 Cg_endo -66.33 -49.5 1.84 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.565 2.177 . . . . 0.0 112.263 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -105.35 69.1 0.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.789 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . 0.49 ' NE2' HD12 ' A' ' 146' ' ' LEU . 11.8 tt0 -67.47 117.16 9.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.006 -179.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 3.3 p -104.21 149.2 25.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.691 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -44.88 -41.68 7.34 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.879 0.371 . . . . 0.0 110.427 179.575 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -60.55 -41.17 94.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.343 179.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.913 ' O ' HG23 ' A' ' 158' ' ' VAL . 52.7 tp -69.22 -47.72 64.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.019 179.232 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -56.38 -52.57 64.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.731 179.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -53.44 -52.48 59.3 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.409 ' O ' HD12 ' A' ' 161' ' ' LEU . 2.4 tptt -57.17 -29.31 63.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.969 -179.291 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.913 HG23 ' O ' ' A' ' 154' ' ' LEU . 49.1 t -67.02 -49.76 70.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.899 0.381 . . . . 0.0 110.434 179.228 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 159' ' ' MET . . . . . 0.407 ' HG3' HG21 ' A' ' 141' ' ' VAL . 11.3 mtt -68.34 -42.88 78.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.75 179.631 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -59.21 -51.28 70.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.774 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.409 HD12 ' O ' ' A' ' 157' ' ' LYS . 22.3 mt -59.83 -38.13 81.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.776 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 162' ' ' HIS . . . . . 0.432 ' CE1' ' HA ' ' A' ' 125' ' ' GLN . 3.2 t-160 -58.64 -56.63 19.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.82 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 12.6 tttp -65.13 -30.83 71.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 6.3 p . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.18 -179.978 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 27.2 p . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.701 0.286 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -57.96 -50.4 10.3 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.603 2.202 . . . . 0.0 111.999 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -49.8 -42.42 46.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.424 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.86 -42.86 85.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.668 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -68.78 -42.37 77.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.746 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.37 -42.68 96.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.233 0.54 . . . . 0.0 110.722 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 12.4 tp -72.67 -27.41 62.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.814 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 176' ' ' GLU . . . . . 0.497 ' HG3' ' N ' ' A' ' 177' ' ' PHE . 0.0 OUTLIER -70.14 -51.05 34.45 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -178.575 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 177' ' ' PHE . . . . . 0.766 ' CD2' HD22 ' A' ' 119' ' ' LEU . 7.2 t80 -72.09 -40.4 68.25 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.459 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 178' ' ' LEU . . . . . 0.613 HD11 ' CG ' ' A' ' 93' ' ' ARG . 35.7 mt -61.23 -41.14 96.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.307 179.503 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.05 -32.31 70.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.757 179.444 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 180' ' ' ASN . . . . . 0.801 ' O ' HD12 ' A' ' 184' ' ' LEU . 5.0 m-80 -70.88 -49.92 40.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.922 179.245 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 181' ' ' ALA . . . . . 0.43 ' HB1' ' HB2' ' A' ' 186' ' ' MET . . . -61.72 -37.59 84.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.749 179.539 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 182' ' ' LYS . . . . . 0.42 ' HB2' ' O ' ' A' ' 178' ' ' LEU . 0.0 OUTLIER -66.33 -35.89 81.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.37 179.529 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 10.0 ttmt -70.35 -19.16 63.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.045 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.801 HD12 ' O ' ' A' ' 180' ' ' ASN . 1.0 OUTLIER -106.66 9.47 31.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.822 -179.437 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 1.5 m 56.39 52.25 10.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.817 0.341 . . . . 0.0 111.263 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 186' ' ' MET . . . . . 0.626 ' HB3' HD21 ' A' ' 100' ' ' LEU . 61.4 mtp -99.65 27.32 5.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.782 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 187' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.281 -0.866 . . . . 0.0 110.868 -179.821 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.2 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.5 m 61.13 112.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.793 0.33 . . . . 0.0 110.928 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 -110.8 -40.87 4.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 75.4 mmm -76.11 147.15 38.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.849 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -147.91 107.87 3.72 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.984 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.71 -9.58 26.46 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.436 2.091 . . . . 0.0 112.531 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -94.99 -13.38 25.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.46 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -90.65 47.32 1.41 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.849 0.357 . . . . 0.0 110.948 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -94.39 -28.26 15.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.973 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -57.67 -51.39 69.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.128 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.416 ' HA ' HG22 ' A' ' 92' ' ' THR . 1.3 mt-10 -53.97 -29.93 44.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.873 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -72.55 -47.83 45.08 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 49.9 mm -59.03 -46.39 91.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.022 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.454 HG23 ' N ' ' A' ' 93' ' ' ARG . 8.3 t -64.52 -50.83 65.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.745 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.699 ' CG ' HD11 ' A' ' 178' ' ' LEU . 0.6 OUTLIER -54.5 -51.19 65.88 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.544 0.211 . . . . 0.0 111.344 -179.077 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -53.56 -55.24 27.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.845 0.355 . . . . 0.0 111.048 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.518 ' HA ' HD12 ' A' ' 98' ' ' LEU . 3.7 m-85 -59.63 -43.25 93.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.484 HD21 ' CE2' ' A' ' 187' ' ' TYR . 5.2 tp -51.63 -55.57 18.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.293 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 2.2 t -57.94 -41.23 82.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.923 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.518 HD12 ' HA ' ' A' ' 95' ' ' TYR . 34.7 mt -60.98 -48.89 79.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.012 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -66.72 -48.7 68.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.4 mt -57.43 -52.04 67.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.05 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.799 ' HA ' HD12 ' A' ' 104' ' ' ILE . 19.5 ttp-105 -63.25 -28.84 70.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.029 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -71.19 -39.35 71.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.851 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -69.38 -35.57 75.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.799 HD12 ' HA ' ' A' ' 101' ' ' ARG . 10.5 mt -67.73 -52.97 34.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.346 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 31.6 m -57.89 -32.37 43.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.643 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -85.91 -3.33 58.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.648 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 67.27 34.36 85.38 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.327 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -82.23 0.95 38.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.574 0.226 . . . . 0.0 111.417 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.467 HD23 ' N ' ' A' ' 110' ' ' PRO . 4.9 tt -151.31 132.72 7.78 Favored Pre-proline 0 C--N 1.331 -0.207 0 CA-C-O 120.557 0.218 . . . . 0.0 110.714 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.467 ' N ' HD23 ' A' ' 109' ' ' LEU . 44.0 Cg_endo -67.95 121.64 8.68 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.393 2.062 . . . . 0.0 112.244 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 58.8 m -138.63 168.28 20.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.677 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 72.9 m -102.74 163.36 12.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.07 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.403 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 18.2 t80 -55.92 -46.99 78.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.957 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.05 -48.25 76.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.686 -178.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.553 HG22 ' CD1' ' A' ' 119' ' ' LEU . 74.9 m -65.35 -39.98 93.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.842 0.353 . . . . 0.0 110.578 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 116' ' ' LEU . 14.6 mt -57.79 -47.16 83.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.048 0.452 . . . . 0.0 110.124 179.433 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.83 -35.1 72.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.657 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 7.7 tt -69.73 -52.28 26.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.795 0.331 . . . . 0.0 111.086 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.553 ' CD1' HG22 ' A' ' 115' ' ' THR . 43.7 mt -62.02 -34.95 77.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.042 0.448 . . . . 0.0 110.415 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.421 ' O ' HG12 ' A' ' 124' ' ' ILE . . . -71.17 -50.65 21.43 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.666 -0.778 . . . . 0.0 111.929 179.275 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 35.0 m -53.56 -34.61 58.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.655 0.264 . . . . 0.0 111.325 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.4 ' CE1' ' HG3' ' A' ' 176' ' ' GLU . 14.6 m-85 -73.8 -46.53 44.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.807 0.337 . . . . 0.0 110.834 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . 0.5 HG21 ' HD3' ' A' ' 101' ' ' ARG . 83.3 m -61.28 -39.8 91.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.679 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.651 ' O ' HD12 ' A' ' 128' ' ' LEU . 29.3 mm -63.55 -50.84 76.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.694 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . 0.409 ' O ' ' CA ' ' A' ' 129' ' ' GLY . 0.0 OUTLIER -59.19 -35.23 73.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 12.8 t -78.83 -25.31 44.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.05 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.91 -41.96 22.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.056 -179.326 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.658 HD11 ' CE2' ' A' ' 144' ' ' PHE . 1.2 mp -110.01 -0.23 18.19 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.218 -178.416 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.409 ' CA ' ' O ' ' A' ' 125' ' ' GLN . . . 70.38 -157.67 53.54 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.515 -0.85 . . . . 0.0 112.384 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.21 152.74 19.92 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.845 0.355 . . . . 0.0 110.839 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . 0.411 ' CE2' ' HD2' ' A' ' 163' ' ' LYS . 34.6 t80 -74.44 159.0 32.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.958 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -144.67 90.65 6.36 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -59.54 -21.39 61.83 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.618 2.212 . . . . 0.0 112.432 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.2 -29.65 70.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.993 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 81.7 mt -96.83 -29.08 13.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.036 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 8.5 m170 61.99 176.87 0.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.828 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . 0.439 ' O ' ' HB ' ' A' ' 138' ' ' VAL . . . -179.33 -57.88 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.48 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.439 ' HB ' ' O ' ' A' ' 137' ' ' GLY . 38.9 t 67.12 -67.7 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.731 0.3 . . . . 0.0 111.081 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 137' ' ' GLY . 7.1 m-20 -97.18 30.17 2.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.177 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . 0.422 ' CZ ' ' HG2' ' A' ' 159' ' ' MET . 43.7 p90 -73.67 -30.81 63.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.878 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.944 ' CG1' HD11 ' A' ' 146' ' ' LEU . 21.0 t -61.96 -19.08 20.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.288 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.4 m -63.01 -14.28 45.9 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.649 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -83.92 -22.33 31.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.692 0.282 . . . . 0.0 111.183 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' PHE . . . . . 0.658 ' CE2' HD11 ' A' ' 128' ' ' LEU . 78.1 m-85 -114.12 119.77 38.26 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.949 0.405 . . . . 0.0 111.206 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 12.2 mtmt -75.52 102.42 5.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.104 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.944 HD11 ' CG1' ' A' ' 141' ' ' VAL . 0.6 OUTLIER -88.1 -19.26 27.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.297 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.712 ' HB1' ' HD2' ' A' ' 148' ' ' PRO . . . -175.17 165.78 2.07 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-O 120.766 0.317 . . . . 0.0 111.115 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . 0.712 ' HD2' ' HB1' ' A' ' 147' ' ' ALA . 58.7 Cg_endo -71.62 -42.36 1.82 Allowed 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.562 2.174 . . . . 0.0 112.324 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -106.57 70.86 0.84 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.807 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . 0.784 ' NE2' HD12 ' A' ' 146' ' ' LEU . 19.3 tt0 -80.8 120.92 25.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.033 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 2.9 p -120.0 167.95 11.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.845 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -48.17 -35.74 12.25 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.606 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . 0.403 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 0.3 OUTLIER -62.69 -58.72 6.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.657 179.85 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.932 ' O ' HG23 ' A' ' 158' ' ' VAL . 51.9 tp -59.41 -43.33 93.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.404 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -59.14 -54.03 51.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.57 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -52.97 -51.19 62.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.94 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 16.6 tptt -57.75 -31.24 66.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.15 -179.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.932 HG23 ' O ' ' A' ' 154' ' ' LEU . 63.1 t -67.01 -52.84 39.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.863 0.363 . . . . 0.0 110.927 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' MET . . . . . 0.422 ' HG2' ' CZ ' ' A' ' 140' ' ' TYR . 7.7 mtt -68.33 -39.75 81.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.17 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.93 -55.12 38.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.064 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 10.0 mt -59.47 -38.91 82.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.987 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -55.76 -54.87 39.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.979 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . 0.411 ' HD2' ' CE2' ' A' ' 131' ' ' TYR . 11.4 mtpp -74.47 -26.28 59.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.948 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 36.6 t -62.93 -24.92 68.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.284 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -77.22 124.59 28.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.924 0.392 . . . . 0.0 111.043 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 7.9 mtt-85 -65.61 -154.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.697 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 3.4 m -66.86 73.11 0.1 Allowed 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 120.93 0.395 . . . . 0.0 110.818 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 1.9 ttp -89.04 146.62 24.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.961 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . 0.427 ' HB ' ' HD2' ' A' ' 170' ' ' PRO . 23.7 p -92.12 157.75 40.43 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.739 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . 0.427 ' HD2' ' HB ' ' A' ' 169' ' ' THR . 10.0 Cg_endo -53.28 -52.95 7.53 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.646 2.23 . . . . 0.0 111.944 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -50.97 -38.55 51.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.291 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.91 -44.72 86.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.581 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -65.91 -46.06 79.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.656 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -57.31 -42.62 82.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.178 0.513 . . . . 0.0 110.6 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 14.1 tp -72.39 -30.84 65.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.128 179.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . 0.4 ' HG3' ' CE1' ' A' ' 122' ' ' TYR . 8.0 mm-40 -61.27 -52.81 63.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.879 -179.158 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -71.6 -44.4 64.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.606 0.241 . . . . 0.0 110.828 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 178' ' ' LEU . . . . . 0.699 HD11 ' CG ' ' A' ' 93' ' ' ARG . 40.0 mt -61.01 -42.78 99.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.894 0.378 . . . . 0.0 110.573 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -68.04 -32.22 72.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.766 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.55 -49.52 32.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.24 179.478 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -61.69 -37.87 85.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.888 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 2.3 mtpm? -71.64 -32.4 67.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.766 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 14.9 mtmt -74.95 -21.35 59.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.052 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.409 HD23 ' N ' ' A' ' 184' ' ' LEU . 1.8 mt -95.91 -13.0 24.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.353 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 14.0 m 66.54 44.72 2.24 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.912 0.386 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 35.5 mtp -68.9 -32.46 72.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 187' ' ' TYR . . . . . 0.484 ' CE2' HD21 ' A' ' 96' ' ' LEU . 5.0 p90 . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.148 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -112.48 -35.28 5.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.849 0.357 . . . . 0.0 110.937 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 16.7 p80 -90.31 52.13 2.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.8 122.6 48.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.848 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.19 111.27 5.14 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.762 ' HA ' HD23 ' A' ' 87' ' ' LEU . 64.0 Cg_endo -73.32 -11.14 24.68 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.502 2.135 . . . . 0.0 112.585 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -77.33 -26.18 51.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.375 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -86.37 6.47 29.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.556 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.762 HD23 ' HA ' ' A' ' 84' ' ' PRO . 1.9 mm? -60.24 -52.89 63.36 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.875 0.369 . . . . 0.0 110.782 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.26 -48.36 73.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.796 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.41 ' O ' ' HB2' ' A' ' 93' ' ' ARG . 11.0 mt-10 -54.37 -30.03 50.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.904 0.383 . . . . 0.0 110.712 179.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -71.96 -47.68 50.47 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.892 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 47.2 mm -60.76 -46.38 96.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.324 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.456 HG23 ' N ' ' A' ' 93' ' ' ARG . 9.3 t -62.61 -50.26 71.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.243 -179.515 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.769 ' CG ' HD11 ' A' ' 178' ' ' LEU . 0.0 OUTLIER -54.39 -50.95 66.34 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.612 0.244 . . . . 0.0 111.566 -178.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -54.59 -52.41 62.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.939 0.4 . . . . 0.0 111.023 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -66.11 -28.39 68.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.284 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.434 HD21 ' CE2' ' A' ' 187' ' ' TYR . 6.0 tp -68.95 -55.26 11.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.892 0.377 . . . . 0.0 110.848 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 57.1 m -55.46 -44.38 76.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.868 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 78.7 mt -57.27 -49.91 74.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.015 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -63.05 -46.37 87.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.113 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.562 HD11 ' CD1' ' A' ' 187' ' ' TYR . 3.4 mt -60.58 -46.2 91.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.973 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.568 ' O ' HG13 ' A' ' 105' ' ' VAL . 0.0 OUTLIER -64.78 -28.29 69.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.205 -179.919 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.31 -41.33 70.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.159 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.91 -41.41 71.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.301 -179.607 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.435 HD12 ' HA ' ' A' ' 101' ' ' ARG . 12.0 mt -63.25 -49.97 80.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.391 -179.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.568 HG13 ' O ' ' A' ' 101' ' ' ARG . 34.0 m -60.6 -32.49 51.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.582 -179.693 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -80.91 -1.75 44.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.587 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 69.12 33.06 73.3 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.29 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 36.1 mtp85 -83.5 2.38 37.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.497 0.189 . . . . 0.0 111.447 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.643 HD23 ' HD2' ' A' ' 110' ' ' PRO . 0.3 OUTLIER -155.73 134.88 7.76 Favored Pre-proline 0 C--N 1.332 -0.194 0 CA-C-O 120.517 0.199 . . . . 0.0 110.637 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.643 ' HD2' HD23 ' A' ' 109' ' ' LEU . 56.0 Cg_endo -70.28 125.97 12.46 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.39 2.06 . . . . 0.0 112.406 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 13.4 m -139.49 168.27 20.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.698 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 21.0 t -102.37 162.26 13.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.1 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -56.76 -46.95 81.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.996 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.26 -48.58 76.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.647 -178.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.632 HG22 ' CD1' ' A' ' 119' ' ' LEU . 88.1 m -64.97 -40.22 94.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.806 0.336 . . . . 0.0 110.518 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 116' ' ' LEU . 28.1 mt -57.9 -46.81 84.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.121 179.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.5 -35.05 73.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.363 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 6.9 tt -68.15 -51.99 39.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.821 0.343 . . . . 0.0 110.934 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.632 ' CD1' HG22 ' A' ' 115' ' ' THR . 16.8 mt -61.57 -35.0 76.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.094 0.473 . . . . 0.0 110.467 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.422 ' CA ' HD22 ' A' ' 146' ' ' LEU . . . -71.26 -51.67 16.6 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.151 179.401 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 50.2 m -53.72 -35.34 61.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.645 0.26 . . . . 0.0 111.509 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.427 ' CE2' ' HB3' ' A' ' 176' ' ' GLU . 14.6 m-85 -73.85 -44.61 55.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.754 0.311 . . . . 0.0 110.874 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 90.0 m -59.63 -42.76 93.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.551 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.508 HG23 HD12 ' A' ' 128' ' ' LEU . 19.7 mm -62.55 -47.64 92.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.281 179.31 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . 0.418 ' HA ' ' CE1' ' A' ' 162' ' ' HIS . 9.0 tp60 -58.52 -37.82 76.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.776 179.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.65 -26.28 45.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.115 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.24 -41.32 25.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.353 -179.183 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.508 HD12 HG23 ' A' ' 124' ' ' ILE . 1.5 mt -112.22 1.19 16.07 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -178.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 80.75 -104.43 2.31 Favored Glycine 0 CA--C 1.517 0.212 0 C-N-CA 120.414 -0.898 . . . . 0.0 112.748 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.39 -179.01 3.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.869 0.366 . . . . 0.0 110.938 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . 0.437 ' CD2' ' HB2' ' A' ' 163' ' ' LYS . 1.2 t80 -99.08 126.18 44.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.969 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.639 ' HB3' HD23 ' A' ' 135' ' ' LEU . 67.3 m-20 -146.43 93.88 4.91 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -63.72 -33.44 65.99 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.702 2.268 . . . . 0.0 112.5 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -75.56 -29.64 59.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.205 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.639 HD23 ' HB3' ' A' ' 132' ' ' ASP . 3.9 mm? -82.35 -45.56 14.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.103 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -114.43 -80.24 0.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.967 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 169.53 -143.21 7.79 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.667 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.431 HG12 ' SD ' ' A' ' 159' ' ' MET . 17.0 t -139.83 -34.69 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.607 0.241 . . . . 0.0 111.64 -179.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -92.59 29.67 1.69 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.576 -0.283 . . . . 0.0 111.507 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -83.27 -10.78 58.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.628 0.252 . . . . 0.0 111.239 179.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.823 ' CG1' HD11 ' A' ' 146' ' ' LEU . 10.5 t -69.53 -23.41 26.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 120.787 0.327 . . . . 0.0 111.093 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 25.6 t -63.14 -14.22 46.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.517 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.94 -27.26 18.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.856 0.36 . . . . 0.0 110.777 179.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -90.59 126.91 36.1 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . 0.416 ' O ' HG11 ' A' ' 105' ' ' VAL . 0.1 OUTLIER -82.5 91.87 6.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.049 -179.91 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.823 HD11 ' CG1' ' A' ' 141' ' ' VAL . 1.4 mt -88.28 -21.82 24.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.239 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.67 ' HB1' ' HD2' ' A' ' 148' ' ' PRO . . . -165.28 165.12 11.95 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.044 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . 0.67 ' HD2' ' HB1' ' A' ' 147' ' ' ALA . 49.8 Cg_endo -69.14 -46.71 1.36 Allowed 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.454 2.102 . . . . 0.0 112.282 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -107.75 65.89 0.65 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.803 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . 0.465 ' NE2' HD12 ' A' ' 146' ' ' LEU . 55.9 tt0 -65.32 116.6 6.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.97 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 3.0 t -112.46 158.29 20.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.896 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 17.1 mttm -44.75 -42.16 7.48 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.405 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -57.8 -47.08 83.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.73 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.934 ' O ' HG23 ' A' ' 158' ' ' VAL . 42.6 tp -65.82 -42.34 90.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.351 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -59.64 -53.9 52.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.663 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -54.94 -51.31 66.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.025 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.5 -30.97 65.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.171 -179.139 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.934 HG23 ' O ' ' A' ' 154' ' ' LEU . 89.7 t -67.04 -49.88 69.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.881 0.372 . . . . 0.0 110.587 179.406 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' MET . . . . . 0.431 ' SD ' HG12 ' A' ' 138' ' ' VAL . 10.0 mtt -68.45 -41.39 80.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.069 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -61.72 -55.2 32.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.099 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 61.4 mt -57.03 -41.55 78.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.974 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . 0.418 ' CE1' ' HA ' ' A' ' 125' ' ' GLN . 3.5 t-160 -57.57 -56.83 16.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.02 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . 0.437 ' HB2' ' CD2' ' A' ' 131' ' ' TYR . 8.1 tttm -67.52 -30.17 69.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.05 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 41.6 p -66.28 -21.71 66.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.318 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -73.97 126.05 29.6 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.938 0.399 . . . . 0.0 111.055 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -64.8 -159.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.749 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 19.5 m -66.8 72.88 0.09 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.965 0.412 . . . . 0.0 110.917 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 3.3 tpp -87.35 147.58 25.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.012 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.41 164.61 19.53 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.73 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -56.49 -50.77 10.87 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.439 2.093 . . . . 0.0 111.79 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -55.95 -38.18 69.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.217 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -57.81 -42.94 85.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.603 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -68.7 -45.05 72.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.591 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -57.47 -41.11 79.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.56 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 13.8 tp -72.47 -32.36 66.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.264 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . 0.427 ' HB3' ' CE2' ' A' ' 122' ' ' TYR . 8.6 mm-40 -61.16 -54.54 43.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.944 -179.077 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . 0.412 ' CD2' HD22 ' A' ' 119' ' ' LEU . 10.3 t80 -70.95 -40.09 72.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.639 0.257 . . . . 0.0 110.665 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 178' ' ' LEU . . . . . 0.769 HD11 ' CG ' ' A' ' 93' ' ' ARG . 21.4 mt -62.82 -42.73 99.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.796 0.332 . . . . 0.0 110.584 179.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -67.73 -32.6 73.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.726 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -72.68 -49.5 31.08 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.319 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -62.37 -37.96 87.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.153 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 178' ' ' LEU . 2.0 ttmm -70.21 -35.14 73.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.861 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 3.8 mtmm -74.11 -20.48 60.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.047 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.8 mt -94.5 -10.19 33.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.314 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 28.9 t 61.85 79.33 0.26 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.81 0.338 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 186' ' ' MET . . . . . 0.556 ' HB2' HD21 ' A' ' 100' ' ' LEU . 24.2 mtp -113.91 -36.26 4.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 187' ' ' TYR . . . . . 0.562 ' CD1' HD11 ' A' ' 100' ' ' LEU . 9.8 p90 . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.203 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 69.74 -64.92 0.33 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.81 0.338 . . . . 0.0 111.065 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -91.64 45.75 1.25 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.082 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 7.1 tpt -177.06 129.45 0.17 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.908 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -117.89 100.7 52.2 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.815 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -77.17 -23.68 10.17 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.517 2.144 . . . . 0.0 112.63 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -93.81 -34.69 13.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.158 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 58.06 67.07 1.0 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.766 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.592 ' H ' HD23 ' A' ' 87' ' ' LEU . 1.0 OUTLIER -87.98 10.51 18.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.641 -179.813 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 37.3 p -55.66 -49.49 72.76 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.74 0.305 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.549 ' HA ' HG22 ' A' ' 92' ' ' THR . 6.3 tp10 -55.57 -31.02 61.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.009 0.433 . . . . 0.0 110.588 179.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -71.98 -47.84 49.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.527 179.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 40.2 mm -62.98 -47.11 94.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.149 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.549 HG22 ' HA ' ' A' ' 89' ' ' GLU . 11.1 t -62.5 -51.12 68.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 -179.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.479 ' N ' HG23 ' A' ' 92' ' ' THR . 14.1 ttp-105 -54.51 -44.52 72.8 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.601 0.239 . . . . 0.0 111.607 -179.011 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -59.0 -53.15 61.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.927 0.394 . . . . 0.0 110.688 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -65.32 -28.31 69.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.12 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.9 tp -68.07 -55.24 13.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.762 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.37 -41.54 76.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.745 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 85.1 mt -60.89 -41.94 97.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.836 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -68.6 -48.05 65.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.96 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.407 HD11 ' CZ ' ' A' ' 187' ' ' TYR . 2.3 mt -61.7 -44.93 95.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.738 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.615 ' O ' HG22 ' A' ' 105' ' ' VAL . 2.6 tmm_? -66.94 -28.61 68.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.141 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -71.32 -39.0 71.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.966 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -70.95 -39.35 72.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.107 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.614 HD12 ' HA ' ' A' ' 101' ' ' ARG . 9.3 mt -65.24 -53.1 44.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.392 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.615 HG22 ' O ' ' A' ' 101' ' ' ARG . 23.6 m -60.52 -32.32 51.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.56 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.02 -3.42 42.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.64 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 68.81 32.88 74.4 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.37 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.7 mtp180 -92.47 4.35 53.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.571 0.224 . . . . 0.0 111.386 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -153.67 113.83 2.6 Favored Pre-proline 0 C--N 1.332 -0.174 0 CA-C-O 120.565 0.222 . . . . 0.0 110.712 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -53.16 130.17 36.89 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.484 2.123 . . . . 0.0 112.425 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 39.2 m -143.32 168.25 20.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.727 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.53 164.62 11.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.071 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -59.32 -49.58 77.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.878 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.12 -46.05 79.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.579 -179.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.623 HG22 ' CD1' ' A' ' 119' ' ' LEU . 98.2 m -67.42 -38.98 85.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.88 0.371 . . . . 0.0 110.332 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 22.4 mt -58.98 -46.12 88.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.157 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.472 ' HB1' ' HB3' ' A' ' 157' ' ' LYS . . . -71.8 -34.78 69.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.446 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 8.2 tt -68.64 -51.9 37.09 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.875 0.369 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.623 ' CD1' HG22 ' A' ' 115' ' ' THR . 19.7 mt -62.58 -34.46 77.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.307 179.566 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.424 ' O ' HG12 ' A' ' 124' ' ' ILE . . . -71.51 -52.34 13.18 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.03 179.332 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.469 ' OG ' HD12 ' A' ' 161' ' ' LEU . 49.6 m -53.67 -34.48 58.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.624 0.25 . . . . 0.0 111.425 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.422 ' CE2' ' HB3' ' A' ' 176' ' ' GLU . 17.1 m-85 -73.5 -47.18 43.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.795 0.331 . . . . 0.0 110.86 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 77.0 m -59.96 -39.91 87.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.736 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.592 ' O ' HD12 ' A' ' 128' ' ' LEU . 29.2 mm -63.85 -49.53 81.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.521 179.557 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . 0.405 ' HA ' ' CE1' ' A' ' 162' ' ' HIS . 2.1 tp60 -58.43 -37.48 75.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.656 179.709 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 10.7 p -78.84 -25.83 44.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.082 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.3 -38.73 30.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.296 -179.088 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.592 HD12 ' O ' ' A' ' 124' ' ' ILE . 1.3 mp -115.22 0.49 13.55 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.011 -0.54 . . . . 0.0 112.374 -178.089 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 61.15 -144.51 48.65 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.37 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.43 147.43 0.57 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.861 0.362 . . . . 0.0 111.336 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . 0.407 ' CD2' ' HG3' ' A' ' 163' ' ' LYS . 46.7 t80 -57.58 151.95 15.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.044 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -135.11 90.48 21.28 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.812 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . 0.403 ' HG3' ' CE2' ' A' ' 131' ' ' TYR . 22.3 Cg_exo -64.67 -66.01 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.669 2.246 . . . . 0.0 112.266 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.72 -30.07 21.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.04 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.415 ' HA ' HD13 ' A' ' 135' ' ' LEU . 4.3 mm? -57.09 -31.22 65.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.944 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . 0.436 ' CE1' ' CD2' ' A' ' 128' ' ' LEU . 10.2 m-70 -118.91 -77.39 0.57 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.788 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 147.81 -133.83 4.84 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.438 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 6.9 m -122.69 -33.86 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.734 0.302 . . . . 0.0 111.32 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -96.41 32.86 1.9 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.087 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . 0.409 ' CZ ' ' HG2' ' A' ' 159' ' ' MET . 48.6 p90 -76.87 -34.08 57.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.807 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.877 ' CG1' HD11 ' A' ' 146' ' ' LEU . 23.7 t -64.42 -21.99 30.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.082 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 16.8 t -63.12 -14.26 46.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.667 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -87.29 -27.8 22.68 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.766 0.317 . . . . 0.0 110.872 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' PHE . . . . . 0.405 ' CE1' HD11 ' A' ' 128' ' ' LEU . 87.3 m-85 -96.99 122.7 40.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . 0.502 ' O ' HG11 ' A' ' 105' ' ' VAL . 8.2 mttt -76.32 96.5 3.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.05 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.997 HD13 HG21 ' A' ' 158' ' ' VAL . 5.7 mt -85.09 -22.48 28.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.193 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.699 ' HB1' ' HD2' ' A' ' 148' ' ' PRO . . . -170.73 165.45 5.08 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.181 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . 0.699 ' HD2' ' HB1' ' A' ' 147' ' ' ALA . 48.0 Cg_endo -68.56 -38.39 11.06 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.565 2.177 . . . . 0.0 112.215 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -115.39 65.84 0.69 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.772 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -68.83 119.87 13.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 7.3 t -115.02 161.31 18.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.906 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -45.07 -43.59 9.61 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.298 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -56.49 -47.63 78.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.751 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.933 ' O ' HG23 ' A' ' 158' ' ' VAL . 48.2 tp -66.85 -39.13 87.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.362 179.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -60.83 -53.98 50.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.65 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -54.59 -50.93 66.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.064 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.472 ' HB3' ' HB1' ' A' ' 117' ' ' ALA . 12.2 tptt -57.59 -33.11 67.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.37 -179.037 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.997 HG21 HD13 ' A' ' 146' ' ' LEU . 98.8 t -67.05 -51.55 53.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.798 0.332 . . . . 0.0 110.975 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' MET . . . . . 0.409 ' HG2' ' CZ ' ' A' ' 140' ' ' TYR . 9.3 mtt -68.25 -42.25 79.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.267 -179.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -62.38 -49.05 77.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.107 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.469 HD12 ' OG ' ' A' ' 121' ' ' SER . 63.9 mt -61.41 -42.19 98.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.012 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . 0.405 ' CE1' ' HA ' ' A' ' 125' ' ' GLN . 8.0 t-160 -57.61 -56.71 18.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.063 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . 0.407 ' HG3' ' CD2' ' A' ' 131' ' ' TYR . 9.5 tttt -69.13 -29.59 67.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.006 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 41.7 t -68.16 -23.84 64.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.207 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -72.37 127.87 33.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.837 0.351 . . . . 0.0 111.051 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' ARG . . . . . 0.404 ' HB3' ' NH1' ' A' ' 166' ' ' ARG . 9.6 mtp-105 -65.47 -161.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.863 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 29.0 m -67.31 72.87 0.12 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.942 0.401 . . . . 0.0 110.918 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 56.4 ttm -86.93 149.94 24.44 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.801 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -97.44 163.46 19.71 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.758 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -55.31 -51.62 9.63 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.508 2.139 . . . . 0.0 111.718 179.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -53.66 -40.29 65.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.307 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -57.84 -45.62 85.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.621 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -65.32 -44.08 88.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.503 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -58.13 -40.47 81.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.48 179.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 175' ' ' LEU . 9.2 tp -72.47 -33.34 66.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.381 179.52 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . 0.422 ' HB3' ' CE2' ' A' ' 122' ' ' TYR . 8.6 mm-40 -61.07 -54.58 42.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 112.019 -179.011 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -70.44 -44.3 68.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.648 0.261 . . . . 0.0 110.784 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 178' ' ' LEU . . . . . 0.424 HD11 ' HG3' ' A' ' 93' ' ' ARG . 36.8 mt -60.46 -41.38 94.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.893 0.378 . . . . 0.0 110.567 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -68.17 -32.56 72.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.698 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -73.31 -49.61 26.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.458 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -61.09 -37.72 83.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.047 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . 0.437 ' HG3' ' CE1' ' A' ' 187' ' ' TYR . 26.7 mttt -74.04 -31.04 62.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.038 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 8.1 ttpt -77.47 -22.82 50.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.134 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.5 mt -87.96 -10.2 51.21 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.287 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.2 34.05 11.24 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.815 0.34 . . . . 0.0 110.83 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 19.5 ptm -101.83 27.57 6.38 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 187' ' ' TYR . . . . . 0.437 ' CE1' ' HG3' ' A' ' 182' ' ' LYS . 2.7 m-85 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.229 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -152.94 114.55 4.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.794 0.33 . . . . 0.0 110.922 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -78.96 -58.93 2.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 3.9 mtp -64.01 161.96 14.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.8 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -72.56 131.06 84.9 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.841 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -73.31 -26.42 14.53 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.46 2.107 . . . . 0.0 112.32 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -96.92 -27.57 14.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.204 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 61.24 42.65 11.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.929 0.395 . . . . 0.0 110.67 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 39.0 mt -60.62 -61.75 2.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.205 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 30.4 p -57.54 -49.56 75.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.288 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.553 ' HA ' HG22 ' A' ' 92' ' ' THR . 2.8 mt-10 -56.03 -30.32 61.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.927 0.394 . . . . 0.0 110.662 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -70.49 -47.72 59.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.63 179.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 39.5 mm -63.29 -48.6 86.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.235 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.553 HG22 ' HA ' ' A' ' 89' ' ' GLU . 11.6 t -60.48 -50.89 71.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.205 -179.503 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.7 ' HG3' HD11 ' A' ' 178' ' ' LEU . 37.3 ttp180 -54.71 -46.31 74.17 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.646 0.26 . . . . 0.0 111.624 -179.06 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -56.98 -52.33 65.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.934 0.397 . . . . 0.0 110.901 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -67.21 -28.42 68.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.192 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.1 tp -68.08 -55.23 13.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.817 0.342 . . . . 0.0 110.791 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 4.9 t -58.12 -41.34 83.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.841 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.414 ' HA ' HD23 ' A' ' 98' ' ' LEU . 19.7 mt -58.81 -46.38 87.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -66.31 -43.21 86.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.944 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.442 HD11 ' CE1' ' A' ' 187' ' ' TYR . 7.3 mt -64.1 -42.53 96.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.793 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.519 ' HA ' HD12 ' A' ' 104' ' ' ILE . 0.0 OUTLIER -68.14 -28.52 67.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.095 179.908 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -71.39 -40.27 70.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.95 0.405 . . . . 0.0 110.851 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -71.05 -37.12 72.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.306 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.519 HD12 ' HA ' ' A' ' 101' ' ' ARG . 10.7 mt -68.14 -52.54 37.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.461 -179.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.505 HG22 ' O ' ' A' ' 101' ' ' ARG . 31.2 m -60.02 -32.07 49.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.488 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -79.01 -2.97 42.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.54 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 71.26 25.71 74.96 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.506 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 2.2 tpt85 -83.81 1.6 42.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.548 0.213 . . . . 0.0 111.393 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.407 HD22 ' SD ' ' A' ' 186' ' ' MET . 0.7 OUTLIER -151.74 132.91 7.75 Favored Pre-proline 0 C--N 1.332 -0.171 0 CA-C-O 120.563 0.22 . . . . 0.0 110.675 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.43 127.9 13.86 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.426 2.084 . . . . 0.0 112.379 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 12.8 m -140.17 168.36 19.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.707 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.5 p -102.08 165.45 11.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.092 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.449 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 18.1 t80 -59.84 -51.57 69.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.844 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.27 -45.17 80.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.573 -179.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.593 HG22 HD11 ' A' ' 119' ' ' LEU . 88.7 m -67.21 -39.81 86.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.831 0.348 . . . . 0.0 110.379 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 116' ' ' LEU . 17.1 mt -58.35 -47.65 83.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.102 179.403 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.69 -35.17 74.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.371 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.422 ' HG ' ' CE2' ' A' ' 122' ' ' TYR . 7.3 tt -67.49 -51.89 45.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.827 0.346 . . . . 0.0 110.782 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.593 HD11 HG22 ' A' ' 115' ' ' THR . 15.4 mt -61.19 -33.83 74.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.307 179.531 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.429 ' O ' HG12 ' A' ' 124' ' ' ILE . . . -71.32 -51.9 15.45 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.125 179.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 19.7 p -53.54 -35.23 60.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.573 0.225 . . . . 0.0 111.499 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.44 ' CE2' ' HB3' ' A' ' 176' ' ' GLU . 19.1 m-85 -74.19 -43.13 58.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.721 0.296 . . . . 0.0 110.676 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 64.6 m -63.28 -40.14 96.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.501 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.569 HG23 ' CD1' ' A' ' 128' ' ' LEU . 27.2 mm -62.95 -49.73 82.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.386 179.492 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -57.93 -36.82 73.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.826 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.59 -23.42 46.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.07 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -82.28 -43.94 16.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.151 -179.305 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.569 ' CD1' HG23 ' A' ' 124' ' ' ILE . 1.4 mp -110.38 1.22 18.28 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.359 -178.166 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 81.41 -110.45 3.16 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.438 -0.887 . . . . 0.0 112.766 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -102.44 168.33 9.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.88 0.371 . . . . 0.0 110.964 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . 0.433 ' CD2' ' HG3' ' A' ' 163' ' ' LYS . 77.7 t80 -75.21 126.66 31.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.829 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -132.52 94.63 21.99 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . 0.421 ' HD3' ' CD2' ' A' ' 131' ' ' TYR . 59.6 Cg_endo -72.24 -31.01 12.33 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.514 2.143 . . . . 0.0 112.323 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -66.67 -31.6 72.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 35.5 mt -97.81 -42.98 7.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 50.2 m80 -93.27 173.94 7.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.83 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -119.71 -132.39 4.38 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.568 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 14.7 m -113.13 -30.16 2.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.814 0.34 . . . . 0.0 111.278 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.12 30.8 3.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.974 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . 0.427 ' CZ ' ' HG2' ' A' ' 159' ' ' MET . 52.6 p90 -76.14 -30.72 58.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.828 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.972 HG12 HD11 ' A' ' 146' ' ' LEU . 13.9 t -74.02 -21.17 17.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.969 179.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 21.6 p -64.86 -14.08 58.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.551 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.85 -27.88 28.4 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.813 0.34 . . . . 0.0 110.866 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -96.57 130.53 43.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.956 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . 0.501 ' O ' HG11 ' A' ' 105' ' ' VAL . 3.5 mtmp? -77.25 93.24 3.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.984 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.972 HD11 HG12 ' A' ' 141' ' ' VAL . 0.8 OUTLIER -82.59 -24.11 34.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.101 -179.904 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.74 ' HB1' ' HD2' ' A' ' 148' ' ' PRO . . . -174.4 166.55 2.34 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.06 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . 0.74 ' HD2' ' HB1' ' A' ' 147' ' ' ALA . 50.4 Cg_endo -69.0 -40.06 7.06 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.515 2.143 . . . . 0.0 112.312 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -112.93 66.94 0.65 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . 0.817 ' NE2' HD12 ' A' ' 146' ' ' LEU . 13.7 tt0 -72.91 120.13 18.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.943 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 1.2 t -115.64 160.96 19.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.01 -43.52 9.27 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.265 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . 0.449 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 2.4 mt-10 -56.73 -50.63 71.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.762 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.927 ' O ' HG23 ' A' ' 158' ' ' VAL . 54.9 tp -64.46 -39.56 94.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.475 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -60.46 -54.09 49.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.682 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -55.01 -49.57 71.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.55 -33.06 67.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.2 -179.313 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.927 HG23 ' O ' ' A' ' 154' ' ' LEU . 84.9 t -67.05 -48.88 77.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.873 0.368 . . . . 0.0 110.717 179.549 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' MET . . . . . 0.427 ' HG2' ' CZ ' ' A' ' 140' ' ' TYR . 10.2 mtt -68.46 -40.05 81.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.06 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.56 -52.09 67.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 12.0 mt -63.15 -36.23 82.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.721 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 14.0 t-160 -61.39 -56.56 18.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.706 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . 0.433 ' HG3' ' CD2' ' A' ' 131' ' ' TYR . 4.8 tttp -67.12 -29.38 69.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.682 179.74 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.61 -25.05 24.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.133 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' TYR . . . . . 0.412 ' CD1' ' HE2' ' A' ' 168' ' ' MET . 18.9 m-85 -95.75 133.27 40.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.647 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 26.3 mtp180 -134.23 -3.33 2.76 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 1.6 m -139.28 5.2 2.26 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 168' ' ' MET . . . . . 0.412 ' HE2' ' CD1' ' A' ' 165' ' ' TYR . 6.9 tpp -68.57 136.5 53.16 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.884 0.373 . . . . 0.0 111.11 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . 0.404 ' HB ' ' HD2' ' A' ' 170' ' ' PRO . 5.9 p -92.9 159.88 35.02 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.624 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . 0.404 ' HD2' ' HB ' ' A' ' 169' ' ' THR . 9.2 Cg_endo -52.5 -53.46 6.84 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.392 2.062 . . . . 0.0 111.695 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -53.12 -39.8 63.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.437 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -57.77 -43.68 85.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.652 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -66.37 -43.03 87.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.53 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.05 -42.25 94.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.512 179.478 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 12.6 tp -72.48 -32.28 66.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.033 179.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . 0.44 ' HB3' ' CE2' ' A' ' 122' ' ' TYR . 7.5 mm-40 -60.44 -54.39 46.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.785 -179.176 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . 0.467 ' CD2' HD22 ' A' ' 119' ' ' LEU . 16.6 t80 -68.62 -46.56 68.91 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 121.126 -0.23 . . . . 0.0 110.711 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 178' ' ' LEU . . . . . 0.7 HD11 ' HG3' ' A' ' 93' ' ' ARG . 19.6 mt -59.27 -38.8 81.02 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.9 0.381 . . . . 0.0 110.438 179.745 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -67.7 -34.42 76.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.844 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -73.75 -49.52 25.1 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.504 179.558 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -61.42 -38.07 85.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.641 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 17.2 mtmt -69.6 -35.38 75.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.784 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 4.6 ttmm -77.51 -22.3 51.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.08 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.5 mt -92.36 -3.93 54.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.396 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 2.1 m 62.16 42.87 9.17 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.856 0.36 . . . . 0.0 110.934 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 186' ' ' MET . . . . . 0.407 ' SD ' HD22 ' A' ' 109' ' ' LEU . 33.4 mmm -75.7 -14.32 60.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.179 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 187' ' ' TYR . . . . . 0.442 ' CE1' HD11 ' A' ' 100' ' ' LEU . 8.9 m-85 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.876 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.211 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 45.4 m -141.94 -48.41 0.37 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.789 0.328 . . . . 0.0 110.952 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 23.5 t-160 -76.2 82.08 3.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -168.81 -175.53 2.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.15 145.3 30.41 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.64 -3.73 14.28 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.56 2.173 . . . . 0.0 112.728 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -109.54 30.65 6.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.819 0.342 . . . . 0.0 111.133 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -70.71 -21.71 62.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.168 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.5 ' H ' HD23 ' A' ' 87' ' ' LEU . 0.9 OUTLIER -66.15 -18.2 65.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.362 -179.898 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 3.4 m -57.43 -51.3 69.96 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.78 0.324 . . . . 0.0 111.129 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.515 ' HA ' HG22 ' A' ' 92' ' ' THR . 13.3 tt0 -57.39 -34.36 68.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.986 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -71.42 -48.58 48.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.349 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 15.6 mt -67.64 -46.35 83.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.266 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.515 HG22 ' HA ' ' A' ' 89' ' ' GLU . 12.0 t -56.09 -52.49 64.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.546 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.486 ' N ' HG23 ' A' ' 92' ' ' THR . 2.9 tmt_? -55.0 -46.47 75.18 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 120.689 0.28 . . . . 0.0 110.804 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -53.17 -56.68 14.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.984 0.421 . . . . 0.0 110.593 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -63.81 -28.26 69.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.825 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 96' ' ' LEU . 6.1 tp -66.25 -55.3 16.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.925 0.393 . . . . 0.0 110.547 179.649 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.3 t -55.75 -40.36 72.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.636 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 70.8 mt -59.53 -43.72 93.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.734 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -67.58 -47.53 69.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.9 mt -60.26 -45.78 92.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.698 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.647 ' O ' HG22 ' A' ' 105' ' ' VAL . 52.2 ttp180 -66.29 -28.73 68.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.091 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -71.22 -40.9 70.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.018 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.83 -42.32 70.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.108 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.473 HD12 ' HA ' ' A' ' 101' ' ' ARG . 9.3 mt -62.46 -53.35 48.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.339 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.647 HG22 ' O ' ' A' ' 101' ' ' ARG . 29.3 m -59.43 -32.41 48.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.427 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -79.78 -2.58 43.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.545 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 68.2 34.9 81.92 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.353 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.63 4.04 52.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.552 0.215 . . . . 0.0 111.385 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.565 HD13 ' HB2' ' A' ' 186' ' ' MET . 0.6 OUTLIER -158.1 115.33 1.79 Allowed Pre-proline 0 C--N 1.332 -0.193 0 CA-C-N 116.709 -0.223 . . . . 0.0 110.661 179.892 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -50.43 125.58 15.66 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.435 2.09 . . . . 0.0 112.53 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -139.74 136.86 34.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.717 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.59 160.12 33.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.047 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -57.34 -48.4 79.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.857 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.28 -40.82 74.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.62 -179.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 74.0 m -71.35 -39.27 71.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.825 0.345 . . . . 0.0 110.374 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 21.1 mt -59.58 -46.72 88.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.174 179.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -71.88 -35.26 69.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.412 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 7.3 tt -67.36 -51.72 48.8 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.895 0.378 . . . . 0.0 110.73 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.735 HD22 ' CD2' ' A' ' 177' ' ' PHE . 67.4 mt -62.96 -34.35 77.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.357 179.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.426 ' O ' HG12 ' A' ' 124' ' ' ILE . . . -71.33 -52.47 13.09 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.075 179.387 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 36.2 t -54.17 -34.11 59.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.688 0.28 . . . . 0.0 111.231 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -71.71 -46.9 57.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.766 0.317 . . . . 0.0 110.616 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 11.3 m -59.79 -37.9 80.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.637 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.581 HG23 ' CD1' ' A' ' 128' ' ' LEU . 29.4 mm -63.23 -49.83 81.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.346 179.479 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . 0.431 ' HA ' ' CE1' ' A' ' 162' ' ' HIS . 4.7 tp60 -57.01 -38.35 72.98 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.718 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 41.3 t -78.77 -23.63 45.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.264 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.69 -43.05 19.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.979 0.419 . . . . 0.0 111.183 -179.147 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.581 ' CD1' HG23 ' A' ' 124' ' ' ILE . 1.3 mp -111.49 1.01 16.7 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.293 -178.2 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 79.95 -101.97 1.99 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.376 -0.916 . . . . 0.0 112.554 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -123.13 167.65 13.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.823 0.344 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . 0.406 ' CE1' ' HD2' ' A' ' 163' ' ' LYS . 42.7 t80 -62.53 141.52 58.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -132.62 90.46 32.93 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -59.91 -28.77 87.9 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.625 2.217 . . . . 0.0 112.282 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.36 -31.61 72.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.955 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 59.5 mt -85.42 -42.02 14.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 20.0 m170 60.26 176.0 0.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.842 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . 0.464 ' O ' ' HB ' ' A' ' 138' ' ' VAL . . . 158.94 -45.46 0.45 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.575 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.464 ' HB ' ' O ' ' A' ' 137' ' ' GLY . 40.7 t 68.38 -65.82 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.78 0.324 . . . . 0.0 110.987 -179.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -93.87 40.91 1.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.122 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 33.4 p90 -75.59 -31.69 60.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.883 0.373 . . . . 0.0 110.765 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.904 ' CG1' HD11 ' A' ' 146' ' ' LEU . 12.1 t -62.9 -18.18 20.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.025 179.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 20.2 p -62.44 -14.11 37.19 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.652 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.29 -26.65 19.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.771 0.32 . . . . 0.0 110.926 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' PHE . . . . . 0.497 ' CZ ' HD11 ' A' ' 128' ' ' LEU . 82.9 m-85 -94.14 123.53 37.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.018 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . 0.452 ' O ' HG11 ' A' ' 105' ' ' VAL . 0.0 OUTLIER -78.36 93.0 4.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.072 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.904 HD11 ' CG1' ' A' ' 141' ' ' VAL . 6.9 mt -86.67 -24.11 25.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.156 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.699 ' HB1' ' HD2' ' A' ' 148' ' ' PRO . . . -169.23 165.36 6.62 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.147 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . 0.699 ' HD2' ' HB1' ' A' ' 147' ' ' ALA . 59.2 Cg_endo -72.02 -30.55 13.5 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.583 2.189 . . . . 0.0 112.351 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -121.95 63.91 0.92 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . 0.467 ' NE2' HD12 ' A' ' 146' ' ' LEU . 13.6 tt0 -69.45 117.92 11.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 7.6 t -113.36 163.59 14.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.18 -43.68 10.26 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.317 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -54.27 48.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.846 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.937 ' O ' HG23 ' A' ' 158' ' ' VAL . 42.6 tp -61.55 -40.73 95.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.524 179.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.65 -53.93 52.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.737 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -55.66 -49.21 73.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.073 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.52 -34.13 68.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.514 -178.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.937 HG23 ' O ' ' A' ' 154' ' ' LEU . 49.8 t -67.01 -51.03 58.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.882 0.372 . . . . 0.0 111.062 179.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 14.2 mtm -67.62 -43.05 81.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.092 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -59.71 -53.4 58.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.407 ' O ' ' CD2' ' A' ' 165' ' ' TYR . 30.4 mt -56.76 -40.14 75.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.812 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . 0.431 ' CE1' ' HA ' ' A' ' 125' ' ' GLN . 3.4 t-160 -56.55 -56.1 25.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.927 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . 0.406 ' HD2' ' CE1' ' A' ' 131' ' ' TYR . 2.8 mtpm? -69.02 -29.14 67.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.035 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 3.6 t -64.97 -25.09 67.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.25 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' TYR . . . . . 0.407 ' CD2' ' O ' ' A' ' 161' ' ' LEU . 24.5 m-85 -75.7 125.29 28.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.842 0.353 . . . . 0.0 111.112 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 15.7 mmt85 -65.35 -156.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.557 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.79 72.47 0.09 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.945 0.402 . . . . 0.0 110.997 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 30.0 ttm -86.51 147.25 26.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.772 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 16.6 p -95.87 162.52 23.79 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.666 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.71 -52.54 8.27 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.408 2.072 . . . . 0.0 111.782 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -51.77 -39.66 58.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.343 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.81 -43.02 85.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.702 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -68.67 -46.93 67.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.82 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -57.33 -42.6 82.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.704 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . 0.441 ' HG ' ' HG3' ' A' ' 179' ' ' GLU . 13.3 tp -72.33 -28.12 62.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.238 179.603 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -64.67 -54.16 36.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.888 -179.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . 0.735 ' CD2' HD22 ' A' ' 119' ' ' LEU . 14.2 t80 -70.57 -43.06 70.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.616 -0.265 . . . . 0.0 110.9 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 178' ' ' LEU . . . . . 0.428 HD11 ' HG3' ' A' ' 93' ' ' ARG . 24.3 mt -59.88 -42.19 93.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.85 0.357 . . . . 0.0 110.611 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . 0.441 ' HG3' ' HG ' ' A' ' 175' ' ' LEU . 3.4 mm-40 -68.51 -32.7 72.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 180' ' ' ASN . . . . . 0.795 ' O ' HD12 ' A' ' 184' ' ' LEU . 0.8 OUTLIER -72.34 -49.77 31.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.49 179.552 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -62.36 -37.92 87.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.026 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -69.34 -35.01 75.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.712 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.52 -18.23 63.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 179.536 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.795 HD12 ' O ' ' A' ' 180' ' ' ASN . 1.3 mp -104.93 -17.24 14.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.591 -179.529 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.76 38.84 6.59 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.85 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 186' ' ' MET . . . . . 0.565 ' HB2' HD13 ' A' ' 109' ' ' LEU . 13.0 ptm -94.57 17.7 12.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.25 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 187' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.884 179.952 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.232 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.0 m -112.18 139.2 47.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.824 0.345 . . . . 0.0 110.914 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -149.29 143.88 26.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -173.03 154.66 2.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.834 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -110.36 134.2 20.88 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -74.72 -28.94 9.27 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.452 2.102 . . . . 0.0 112.269 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.901 ' HB1' ' CD2' ' A' ' 87' ' ' LEU . . . -63.76 -60.72 2.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.102 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 62.45 17.98 9.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.338 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.901 ' CD2' ' HB1' ' A' ' 85' ' ' ALA . 0.7 OUTLIER -104.89 -27.78 11.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.822 0.344 . . . . 0.0 110.917 179.809 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 40.2 p -53.96 -49.48 68.66 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.0 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.484 ' HA ' HG22 ' A' ' 92' ' ' THR . 1.4 tt0 -55.33 -30.44 60.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.917 0.389 . . . . 0.0 110.664 179.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.54 -47.85 30.4 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.001 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 46.5 mm -61.29 -47.44 93.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.898 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.484 HG22 ' HA ' ' A' ' 89' ' ' GLU . 8.4 t -61.86 -50.4 72.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.736 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.585 ' HG3' HD11 ' A' ' 178' ' ' LEU . 22.0 ttm180 -54.84 -51.11 66.9 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.372 -179.45 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -51.89 -53.29 42.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.842 0.353 . . . . 0.0 110.982 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -63.16 -41.24 99.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.747 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.694 HD21 ' CE2' ' A' ' 187' ' ' TYR . 5.5 tp -56.56 -55.42 34.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.101 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.2 m -55.87 -42.62 76.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.994 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 82.5 mt -59.72 -37.85 80.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.958 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -72.2 -40.97 67.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.019 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.761 HD21 ' HB2' ' A' ' 186' ' ' MET . 6.5 mt -70.18 -39.52 75.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.263 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.47 -34.8 70.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.696 -179.345 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -71.74 -38.84 70.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.865 0.364 . . . . 0.0 110.872 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -67.5 -41.98 83.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.061 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.434 HD12 ' O ' ' A' ' 100' ' ' LEU . 20.4 mt -63.4 -50.26 79.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.183 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.589 HG11 ' HG3' ' A' ' 145' ' ' LYS . 30.9 m -58.5 -32.51 45.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.494 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -82.23 -2.87 53.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.654 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 68.0 33.63 79.69 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.386 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -83.41 2.29 37.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.53 0.205 . . . . 0.0 111.453 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.677 HD23 ' HD2' ' A' ' 110' ' ' PRO . 0.2 OUTLIER -152.07 134.59 8.8 Favored Pre-proline 0 C--N 1.332 -0.166 0 CA-C-O 120.533 0.206 . . . . 0.0 110.666 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.677 ' HD2' HD23 ' A' ' 109' ' ' LEU . 56.6 Cg_endo -70.79 124.8 10.99 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.478 2.118 . . . . 0.0 112.375 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 76.3 m -139.49 168.25 20.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.701 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.6 m -102.58 166.71 10.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.086 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -58.37 -49.58 76.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.14 -49.9 72.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.629 -178.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.489 HG22 ' CD1' ' A' ' 119' ' ' LEU . 85.7 m -62.83 -44.7 95.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.851 0.357 . . . . 0.0 110.542 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 33.9 mt -53.25 -45.33 68.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.416 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -72.77 -34.31 66.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.657 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 7.5 tt -68.86 -52.14 32.91 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.839 0.352 . . . . 0.0 111.072 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.521 HD22 ' CD1' ' A' ' 177' ' ' PHE . 24.6 mt -64.37 -34.11 77.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.084 0.469 . . . . 0.0 110.371 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.409 ' O ' HG12 ' A' ' 124' ' ' ILE . . . -71.16 -51.79 16.45 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.741 -0.742 . . . . 0.0 111.825 179.338 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.47 ' HA ' HG13 ' A' ' 158' ' ' VAL . 19.2 p -55.2 -33.27 62.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.712 0.292 . . . . 0.0 111.135 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.406 ' CE1' ' OE1' ' A' ' 176' ' ' GLU . 8.6 m-85 -71.62 -47.05 57.17 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.832 0.348 . . . . 0.0 110.67 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 23.3 m -57.86 -40.2 79.57 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.615 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.671 HD11 HD21 ' A' ' 146' ' ' LEU . 32.0 mm -62.52 -48.59 87.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.159 179.346 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . 0.419 ' HA ' ' CE1' ' A' ' 162' ' ' HIS . 5.0 tp-100 -56.8 -40.19 75.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.607 179.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.75 -24.18 44.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.495 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.37 -41.47 21.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.935 0.398 . . . . 0.0 111.421 -178.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.534 ' CD1' HG23 ' A' ' 124' ' ' ILE . 1.1 mp -114.61 2.14 14.44 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.356 -178.062 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 62.44 -147.63 49.4 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.397 -0.906 . . . . 0.0 112.443 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.69 140.57 28.93 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.939 0.4 . . . . 0.0 111.118 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -60.52 147.34 41.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.948 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -146.32 94.87 4.78 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.63 -19.92 53.63 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.409 2.073 . . . . 0.0 112.405 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -66.4 -29.59 69.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.935 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 20.7 mt -90.93 -45.49 8.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . 0.406 ' HB3' ' CG ' ' A' ' 140' ' ' TYR . 21.4 m80 -122.56 158.29 30.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.989 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -116.55 -89.71 1.5 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.5 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 7.9 m -126.88 149.13 31.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.835 0.35 . . . . 0.0 111.162 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 59.32 20.66 8.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.141 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . 0.406 ' CG ' ' HB3' ' A' ' 136' ' ' HIS . 24.4 p90 -69.05 -11.98 61.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.41 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 1.029 HG11 HD11 ' A' ' 146' ' ' LEU . 12.2 t -79.8 0.48 3.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 120.645 0.259 . . . . 0.0 111.563 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 17.0 p -61.88 -14.16 31.31 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.652 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.76 -25.99 17.93 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.802 0.334 . . . . 0.0 110.875 179.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' PHE . . . . . 0.509 ' CZ ' HD11 ' A' ' 128' ' ' LEU . 50.3 m-85 -93.05 124.67 37.19 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . 0.589 ' HG3' HG11 ' A' ' 105' ' ' VAL . 0.0 OUTLIER -81.33 91.57 6.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.16 -179.851 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 1.039 HD13 HG21 ' A' ' 158' ' ' VAL . 4.7 mt -82.54 -22.23 35.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.059 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.72 ' HB1' ' HD2' ' A' ' 148' ' ' PRO . . . -175.85 166.02 1.8 Allowed Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.995 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . 0.72 ' HD2' ' HB1' ' A' ' 147' ' ' ALA . 38.0 Cg_endo -66.45 -47.47 3.06 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.515 2.143 . . . . 0.0 112.244 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 -105.58 69.56 0.84 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.811 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . 0.44 ' NE2' HD12 ' A' ' 146' ' ' LEU . 19.8 tt0 -76.13 119.55 20.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.963 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 1.6 t -116.07 163.19 16.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 12.3 pttt -45.52 -42.64 11.04 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.379 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -58.07 -52.4 65.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.798 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.936 ' O ' HG23 ' A' ' 158' ' ' VAL . 57.1 tp -63.21 -38.97 93.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.474 179.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -61.48 -54.22 46.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.652 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -55.94 -48.26 76.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.056 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 12.9 tptt -57.7 -36.75 72.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.537 -179.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 1.039 HG21 HD13 ' A' ' 146' ' ' LEU . 55.7 t -66.99 -52.4 44.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.789 0.328 . . . . 0.0 111.228 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 60.0 mtm -66.42 -40.49 89.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.197 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -63.76 -47.04 82.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.002 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.415 ' O ' ' CD2' ' A' ' 165' ' ' TYR . 55.8 mt -60.34 -41.15 92.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.968 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . 0.419 ' CE1' ' HA ' ' A' ' 125' ' ' GLN . 3.3 t-160 -58.86 -56.79 17.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.024 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 11.0 tttt -67.34 -31.61 71.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.081 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 20.5 t -69.95 -22.45 63.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.294 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' TYR . . . . . 0.415 ' CD2' ' O ' ' A' ' 161' ' ' LEU . 8.8 m-85 -74.14 129.12 37.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.856 0.36 . . . . 0.0 111.049 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -163.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.812 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 8.3 t -67.57 72.97 0.15 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.906 0.384 . . . . 0.0 110.829 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 7.3 ttm -84.16 147.16 27.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . 0.417 ' HB ' ' HD2' ' A' ' 170' ' ' PRO . 1.9 p -99.12 161.3 25.22 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.637 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . 0.417 ' HD2' ' HB ' ' A' ' 169' ' ' THR . 10.1 Cg_endo -51.24 -52.38 9.18 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.521 2.147 . . . . 0.0 111.845 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -52.26 -40.96 62.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.362 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -57.82 -42.19 83.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.624 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -71.51 -39.84 70.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.58 179.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -61.26 -43.29 99.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.456 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 14.4 tp -72.51 -37.29 68.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.568 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . 0.406 ' OE1' ' CE1' ' A' ' 122' ' ' TYR . 31.2 mt-10 -59.91 -53.84 53.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 0.0 112.174 -178.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . 0.521 ' CD1' HD22 ' A' ' 119' ' ' LEU . 59.7 t80 -69.21 -46.74 66.68 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.976 -0.29 . . . . 0.0 110.581 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 178' ' ' LEU . . . . . 0.585 HD11 ' HG3' ' A' ' 93' ' ' ARG . 27.9 mt -58.14 -38.71 77.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.027 0.441 . . . . 0.0 110.27 179.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -68.76 -33.01 73.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.769 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 180' ' ' ASN . . . . . 0.805 ' O ' HD12 ' A' ' 184' ' ' LEU . 0.7 OUTLIER -73.66 -49.72 24.53 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.431 179.512 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -62.99 -38.14 89.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.663 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 6.0 tttt -66.09 -39.11 89.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.637 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -16.99 63.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.011 179.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.805 HD12 ' O ' ' A' ' 180' ' ' ASN . 1.1 mp -109.07 -12.05 14.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.67 -179.46 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 1.3 t 65.25 74.21 0.39 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.912 0.387 . . . . 0.0 110.974 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 186' ' ' MET . . . . . 0.761 ' HB2' HD21 ' A' ' 100' ' ' LEU . 31.7 mtp -102.48 -27.23 12.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.841 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 187' ' ' TYR . . . . . 0.694 ' CE2' HD21 ' A' ' 96' ' ' LEU . 2.5 p90 . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.152 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 60.4 m 60.43 -179.16 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.816 0.341 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 28.0 m80 67.56 -69.82 0.13 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.02 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.2 mmm -100.6 140.53 34.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.81 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -116.92 116.37 38.12 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -73.36 -5.66 17.51 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.472 2.114 . . . . 0.0 112.65 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -85.22 5.74 28.92 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.678 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -98.15 32.12 2.54 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.889 0.376 . . . . 0.0 110.844 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.57 -33.6 58.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.948 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.78 -50.15 74.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.973 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.448 ' HA ' HG22 ' A' ' 92' ' ' THR . 13.7 mt-10 -53.52 -30.01 39.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.995 0.426 . . . . 0.0 110.724 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.6 -47.5 47.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.768 179.22 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 40.7 mm -62.36 -49.31 84.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.196 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.476 HG23 ' N ' ' A' ' 93' ' ' ARG . 12.4 t -57.87 -50.99 71.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.278 -179.466 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.728 ' CG ' HD11 ' A' ' 178' ' ' LEU . 0.1 OUTLIER -54.47 -47.81 72.52 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.559 0.219 . . . . 0.0 111.498 -179.005 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -55.24 -53.38 56.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.9 0.381 . . . . 0.0 110.715 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -65.65 -28.22 68.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.023 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.657 HD21 ' CE2' ' A' ' 187' ' ' TYR . 6.0 tp -68.91 -55.3 11.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.655 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -56.74 -37.45 71.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.709 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 41.9 mt -61.44 -49.58 76.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.749 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -64.91 -48.58 73.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.61 -46.37 89.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.764 ' O ' HG22 ' A' ' 105' ' ' VAL . 0.0 OUTLIER -64.2 -28.66 69.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.087 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -71.18 -44.24 65.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.022 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.47 -36.63 79.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.108 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.494 HD12 ' HA ' ' A' ' 101' ' ' ARG . 9.7 mt -68.69 -54.35 21.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.302 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.764 HG22 ' O ' ' A' ' 101' ' ' ARG . 29.4 m -61.01 -32.23 52.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.477 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.77 -3.06 42.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.585 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 64.82 45.9 91.2 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.332 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 16.8 mtt180 -104.07 7.62 36.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.555 0.217 . . . . 0.0 111.338 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.641 HD22 ' SD ' ' A' ' 186' ' ' MET . 0.6 OUTLIER -155.9 110.65 2.14 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.679 179.908 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -49.56 132.63 30.67 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.513 2.142 . . . . 0.0 112.573 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -145.64 168.29 21.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.739 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.41 159.48 14.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.082 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -56.42 -47.91 78.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.968 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.23 -42.48 77.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.621 -179.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 74.9 m -69.12 -40.04 78.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.859 0.361 . . . . 0.0 110.357 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 38.4 mt -59.22 -48.82 80.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.298 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.457 ' HB1' ' HB3' ' A' ' 157' ' ' LYS . . . -68.59 -36.27 78.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.362 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.418 ' HG ' ' CE2' ' A' ' 122' ' ' TYR . 6.2 tt -66.57 -51.74 53.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.929 0.395 . . . . 0.0 110.738 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.801 HD22 ' CD2' ' A' ' 177' ' ' PHE . 62.3 mt -60.24 -34.27 73.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.409 179.682 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.446 ' HA2' HD22 ' A' ' 146' ' ' LEU . . . -71.52 -52.33 13.17 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.367 179.442 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 9.2 m -53.45 -35.46 60.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.596 0.236 . . . . 0.0 111.552 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.438 ' CE2' ' HB3' ' A' ' 176' ' ' GLU . 17.3 m-85 -74.43 -44.4 52.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.741 0.305 . . . . 0.0 110.826 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 30.2 m -61.74 -40.6 95.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.459 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.543 HG23 ' CD1' ' A' ' 128' ' ' LEU . 28.3 mm -63.09 -48.89 85.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.344 179.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . 0.425 ' HG2' ' HE3' ' A' ' 168' ' ' MET . 4.0 tp60 -57.98 -37.21 73.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.708 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 16.8 m -78.72 -24.51 44.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.209 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.32 -43.11 19.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.196 -179.227 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.543 ' CD1' HG23 ' A' ' 124' ' ' ILE . 0.9 OUTLIER -110.3 0.74 18.17 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.967 -0.56 . . . . 0.0 112.197 -178.385 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 80.07 -101.66 1.98 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.34 -0.933 . . . . 0.0 112.59 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.42 -176.31 2.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.749 0.309 . . . . 0.0 110.781 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . 0.433 ' CZ ' ' HE3' ' A' ' 163' ' ' LYS . 28.6 t80 -77.77 116.38 18.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.916 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.737 ' HB2' HD23 ' A' ' 135' ' ' LEU . 4.9 p-10 -116.77 90.39 31.69 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.895 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -77.85 -42.77 0.24 Allowed 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.661 2.241 . . . . 0.0 112.629 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.537 ' HG3' HD22 ' A' ' 135' ' ' LEU . 15.5 pt-20 -65.58 -22.99 66.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.204 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.737 HD23 ' HB2' ' A' ' 132' ' ' ASP . 4.1 mm? -75.36 -45.17 40.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.031 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -130.14 -83.32 0.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.01 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 161.21 -102.41 0.21 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.537 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 6.0 m -146.54 166.44 7.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.835 0.35 . . . . 0.0 111.18 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 63.38 25.43 14.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.189 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -77.26 -7.16 55.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.304 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.681 ' CG1' HD11 ' A' ' 146' ' ' LEU . 5.0 t -64.66 -14.51 16.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.689 0.281 . . . . 0.0 111.337 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.36 -14.61 41.72 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.414 179.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.91 -28.63 24.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.871 0.367 . . . . 0.0 110.782 179.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' PHE . . . . . 0.425 ' CE2' HD11 ' A' ' 128' ' ' LEU . 57.1 m-85 -109.12 119.36 39.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . 0.482 ' O ' HG11 ' A' ' 105' ' ' VAL . 0.0 OUTLIER -81.75 99.18 8.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.059 -179.922 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.681 HD11 ' CG1' ' A' ' 141' ' ' VAL . 1.4 mt -92.04 -15.38 27.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.209 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -162.47 155.67 17.17 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 120.738 0.304 . . . . 0.0 111.138 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.49 -49.45 1.75 Allowed 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.531 2.154 . . . . 0.0 112.232 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -104.07 68.91 0.92 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.718 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -72.6 116.88 13.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.102 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -113.21 161.98 16.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.776 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -44.85 -42.16 7.72 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.312 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -57.81 -52.1 66.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.929 ' O ' HG23 ' A' ' 158' ' ' VAL . 28.3 tp -61.58 -46.71 88.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.479 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.74 -52.5 64.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.754 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -53.1 -53.6 47.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.94 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.457 ' HB3' ' HB1' ' A' ' 117' ' ' ALA . 6.1 tptt -57.37 -29.18 63.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.139 -179.118 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.929 HG23 ' O ' ' A' ' 154' ' ' LEU . 58.9 t -67.03 -51.66 51.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.945 0.402 . . . . 0.0 110.616 179.31 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 8.3 mtt -68.24 -42.84 79.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.808 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -57.61 -51.12 70.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.82 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.404 ' O ' ' CD2' ' A' ' 165' ' ' TYR . 28.4 mt -60.59 -38.67 85.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.684 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . 0.417 ' CD2' ' OE1' ' A' ' 125' ' ' GLN . 5.0 t-160 -62.63 -56.66 15.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.702 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . 0.433 ' HE3' ' CZ ' ' A' ' 131' ' ' TYR . 12.4 ttmt -61.64 -33.91 74.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.763 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 7.1 t -54.5 -23.75 17.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.23 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' TYR . . . . . 0.404 ' CD2' ' O ' ' A' ' 161' ' ' LEU . 19.0 m-85 -95.09 133.29 39.06 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.606 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 4.5 mtt85 -132.82 -4.08 3.21 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.076 0.398 . . . . 0.0 112.076 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 26.4 m -141.48 6.57 1.89 Allowed 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 168' ' ' MET . . . . . 0.425 ' HE3' ' HG2' ' A' ' 125' ' ' GLN . 29.8 ttp -66.79 146.57 54.29 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.863 0.363 . . . . 0.0 110.986 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . 0.408 ' HB ' ' HD2' ' A' ' 170' ' ' PRO . 18.2 p -104.61 158.23 32.43 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.625 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . 0.408 ' HD2' ' HB ' ' A' ' 169' ' ' THR . 8.5 Cg_endo -50.31 -53.97 6.22 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.534 2.156 . . . . 0.0 111.823 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -52.95 -39.92 63.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.231 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.67 -39.55 77.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.567 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -74.2 -43.26 57.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.649 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.46 -42.85 92.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.518 179.534 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 175' ' ' LEU . 14.6 tp -72.34 -31.82 65.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.179 179.447 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . 0.438 ' HB3' ' CE2' ' A' ' 122' ' ' TYR . 18.0 mm-40 -60.63 -53.67 54.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.839 -179.182 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . 0.801 ' CD2' HD22 ' A' ' 119' ' ' LEU . 14.1 t80 -70.59 -46.51 63.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.669 0.271 . . . . 0.0 110.764 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 178' ' ' LEU . . . . . 0.728 HD11 ' CG ' ' A' ' 93' ' ' ARG . 42.4 mt -58.65 -41.92 87.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.829 0.347 . . . . 0.0 110.638 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -68.14 -32.57 72.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.647 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 180' ' ' ASN . . . . . 0.809 ' O ' HD12 ' A' ' 184' ' ' LEU . 0.9 OUTLIER -71.03 -49.78 41.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.154 179.279 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -61.18 -38.03 85.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.723 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.93 -34.39 76.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.614 179.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.87 -19.98 65.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.014 179.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.809 HD12 ' O ' ' A' ' 180' ' ' ASN . 1.2 mp -104.56 14.26 30.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.676 -179.492 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 53.58 34.35 18.39 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.816 0.341 . . . . 0.0 111.084 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 186' ' ' MET . . . . . 0.641 ' SD ' HD22 ' A' ' 109' ' ' LEU . 6.6 mmm -59.1 -36.22 74.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.963 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 187' ' ' TYR . . . . . 0.657 ' CE2' HD21 ' A' ' 96' ' ' LEU . 11.8 p90 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.255 -0.878 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.214 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 88.6 p -95.4 -39.94 9.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.841 0.353 . . . . 0.0 110.934 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -154.14 31.16 0.44 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.38 171.04 15.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -87.17 111.9 44.08 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.805 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.93 -27.41 20.94 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.379 2.052 . . . . 0.0 112.398 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -86.25 -32.92 20.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.068 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 62.21 66.33 0.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.007 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -90.6 10.59 25.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.19 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 22.8 p -57.58 -49.58 75.94 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.019 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -54.92 -30.05 57.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.994 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -74.38 -47.8 31.92 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 46.8 mm -59.19 -45.1 93.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.065 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.449 HG23 ' N ' ' A' ' 93' ' ' ARG . 7.8 t -65.28 -49.94 67.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.074 -179.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.593 ' HG3' HD11 ' A' ' 178' ' ' LEU . 34.9 ttm180 -54.45 -51.13 65.96 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.552 -178.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -56.26 -54.59 43.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.903 0.382 . . . . 0.0 110.818 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -61.37 -28.52 69.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.987 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.428 ' HB2' ' O ' ' A' ' 92' ' ' THR . 5.5 tp -68.1 -55.45 12.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.892 0.377 . . . . 0.0 110.669 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 2.6 t -53.8 -40.4 66.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.772 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 95.6 mt -61.07 -46.99 88.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.672 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -64.8 -47.43 78.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.451 ' O ' HD12 ' A' ' 104' ' ' ILE . 6.0 mt -58.24 -45.78 87.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.81 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.676 ' O ' HG22 ' A' ' 105' ' ' VAL . 2.2 ttm-85 -66.48 -28.51 68.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.259 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -71.19 -44.28 65.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.235 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -70.96 -45.75 63.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.293 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.451 HD12 ' O ' ' A' ' 100' ' ' LEU . 16.3 mt -58.36 -54.19 36.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.423 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.676 HG22 ' O ' ' A' ' 101' ' ' ARG . 29.1 m -56.24 -32.41 34.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.639 -179.593 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -84.3 -1.95 56.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.559 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 69.43 32.88 71.91 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.602 -0.808 . . . . 0.0 112.339 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -83.26 1.35 41.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.55 0.214 . . . . 0.0 111.467 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.1 tt -151.26 130.09 6.31 Favored Pre-proline 0 C--N 1.332 -0.187 0 CA-C-O 120.509 0.195 . . . . 0.0 110.656 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.94 125.98 12.68 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.401 2.068 . . . . 0.0 112.425 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 1.6 m -138.75 168.34 20.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.565 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.5 p -100.21 164.38 11.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.127 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -57.4 -50.69 72.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.857 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.26 -45.02 80.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.641 -179.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 94.6 m -66.28 -42.64 88.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.836 0.351 . . . . 0.0 110.623 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 38.5 mt -56.52 -48.28 77.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.291 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.523 ' HB1' ' HB3' ' A' ' 157' ' ' LYS . . . -69.01 -35.82 77.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.446 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 5.9 tt -66.42 -51.73 53.96 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.882 0.372 . . . . 0.0 110.762 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.537 HD22 ' CD2' ' A' ' 177' ' ' PHE . 55.5 mt -60.99 -34.05 74.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.386 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -71.14 -52.49 13.49 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.044 179.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 10.0 t -53.57 -33.39 54.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.641 0.258 . . . . 0.0 111.295 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.411 ' CE1' ' OE1' ' A' ' 176' ' ' GLU . 9.7 m-85 -72.91 -47.58 44.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.81 0.338 . . . . 0.0 110.725 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 79.7 m -59.85 -35.32 74.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.568 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.468 HG23 HD12 ' A' ' 128' ' ' LEU . 32.0 mm -66.38 -51.09 62.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.492 179.573 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -57.97 -36.17 72.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.778 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.12 -23.55 47.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.025 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.15 -46.51 12.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.287 -179.356 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.468 HD12 HG23 ' A' ' 124' ' ' ILE . 1.0 OUTLIER -106.93 1.38 24.49 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.045 -0.525 . . . . 0.0 112.227 -178.555 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 81.91 -116.19 4.16 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.374 -0.917 . . . . 0.0 112.769 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.57 154.16 18.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.857 0.36 . . . . 0.0 110.981 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . 0.404 ' CD2' ' HG3' ' A' ' 163' ' ' LYS . 34.7 t80 -66.86 97.91 0.51 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.881 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -104.02 91.71 3.91 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.72 -20.99 34.32 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.522 2.148 . . . . 0.0 112.419 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -72.49 -30.56 64.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.957 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 72.8 mt -101.0 -40.41 7.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.972 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -108.45 158.11 17.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.913 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -97.52 -124.32 4.85 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.552 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.477 HG12 ' N ' ' A' ' 139' ' ' ASP . 11.2 t -142.64 160.7 18.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.859 0.361 . . . . 0.0 111.067 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . 0.477 ' N ' HG12 ' A' ' 138' ' ' VAL . 0.6 OUTLIER 65.53 21.2 11.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.219 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -80.12 -1.71 41.37 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.368 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.851 ' CG1' HD11 ' A' ' 146' ' ' LEU . 3.2 t -74.56 -6.18 8.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.576 -0.283 . . . . 0.0 111.565 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.3 m -61.57 -14.17 27.81 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.767 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 32.5 p30 -95.27 -24.5 16.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.765 0.317 . . . . 0.0 110.841 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -87.5 128.0 35.24 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.928 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.87 88.49 7.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.851 HD11 ' CG1' ' A' ' 141' ' ' VAL . 4.1 mt -90.04 -22.06 22.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.207 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.623 ' HB1' ' HD2' ' A' ' 148' ' ' PRO . . . -170.17 163.08 6.37 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.211 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . 0.623 ' HD2' ' HB1' ' A' ' 147' ' ' ALA . 58.2 Cg_endo -71.56 -40.1 3.16 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.625 2.217 . . . . 0.0 112.265 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -108.61 70.42 0.75 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.753 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . 0.469 ' NE2' HD12 ' A' ' 146' ' ' LEU . 17.5 tt0 -80.91 114.99 20.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.211 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 2.2 p -114.99 168.35 9.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.645 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -47.94 -36.57 12.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.633 179.616 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -61.75 -57.02 13.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.723 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.939 ' O ' HG23 ' A' ' 158' ' ' VAL . 26.6 tp -60.69 -42.37 97.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.422 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -59.66 -53.84 53.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.632 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -54.15 -51.27 64.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.008 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.523 ' HB3' ' HB1' ' A' ' 117' ' ' ALA . 1.1 tptt -57.54 -31.95 66.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.229 -179.254 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.939 HG23 ' O ' ' A' ' 154' ' ' LEU . 90.2 t -67.13 -50.36 64.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.825 0.345 . . . . 0.0 110.713 179.493 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 11.5 mtt -68.17 -40.67 82.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -58.08 -55.14 38.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.416 ' O ' ' CD2' ' A' ' 165' ' ' TYR . 25.7 mt -60.57 -35.27 75.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.695 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . 0.445 ' CE1' HG22 ' A' ' 124' ' ' ILE . 15.8 t-160 -60.27 -53.87 52.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.706 179.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . 0.404 ' HG3' ' CD2' ' A' ' 131' ' ' TYR . 15.4 tttt -71.67 -29.09 64.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.897 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 18.2 p -55.58 -24.91 35.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' TYR . . . . . 0.416 ' CD2' ' O ' ' A' ' 161' ' ' LEU . 18.7 m-85 -92.48 131.09 37.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.746 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' ARG . . . . . 0.435 ' O ' ' CB ' ' A' ' 167' ' ' SER . 20.3 mtm180 -143.97 123.42 13.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.89 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' A' ' 166' ' ' ARG . 0.8 OUTLIER 82.84 44.23 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.917 -179.838 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 2.1 tpp -119.94 146.21 46.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.585 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -92.51 165.28 19.76 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.857 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.99 -47.95 13.81 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.535 2.157 . . . . 0.0 112.089 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -50.4 -41.28 51.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.345 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -57.8 -45.2 86.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.638 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -67.92 -41.96 81.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.613 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -60.66 -42.91 97.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.438 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 15.4 tp -72.59 -32.71 66.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.325 179.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . 0.411 ' OE1' ' CE1' ' A' ' 122' ' ' TYR . 28.7 mt-10 -61.13 -52.7 63.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.985 -179.004 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . 0.537 ' CD2' HD22 ' A' ' 119' ' ' LEU . 10.0 t80 -71.25 -45.44 63.22 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.973 -0.291 . . . . 0.0 110.541 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 178' ' ' LEU . . . . . 0.593 HD11 ' HG3' ' A' ' 93' ' ' ARG . 89.3 mt -58.48 -41.97 86.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.01 0.433 . . . . 0.0 110.38 179.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -68.51 -32.24 72.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.765 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 180' ' ' ASN . . . . . 0.79 ' O ' HD12 ' A' ' 184' ' ' LEU . 0.6 OUTLIER -71.31 -49.9 37.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.13 179.369 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -61.92 -37.9 86.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.801 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.05 -37.85 86.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.645 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.83 -18.25 65.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.008 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.79 HD12 ' O ' ' A' ' 180' ' ' ASN . 1.1 mp -107.9 -3.15 19.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.876 -179.438 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 1.4 m 61.2 38.01 17.03 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.824 0.345 . . . . 0.0 110.947 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 27.6 mmm -63.45 -21.54 66.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 187' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.251 -0.88 . . . . 0.0 110.897 -179.928 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.203 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.3 m -117.41 97.08 5.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.8 0.333 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 27.7 t60 -101.21 162.48 12.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 4.0 ppp? -149.31 152.8 36.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -61.91 151.15 80.77 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.61 -19.58 27.88 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.598 2.199 . . . . 0.0 112.506 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.582 ' HB1' HD23 ' A' ' 87' ' ' LEU . . . -102.87 -67.05 0.9 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.868 0.366 . . . . 0.0 111.139 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 60.04 33.02 21.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.582 HD23 ' HB1' ' A' ' 85' ' ' ALA . 0.5 OUTLIER -86.64 -26.28 24.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.19 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 45.3 p -52.88 -50.47 63.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.23 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.416 ' HA ' HG22 ' A' ' 92' ' ' THR . 15.3 tp10 -54.63 -30.59 55.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.907 0.384 . . . . 0.0 110.529 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -75.95 -47.8 23.71 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 178.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 42.1 mm -60.95 -45.11 99.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.058 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.469 HG23 ' N ' ' A' ' 93' ' ' ARG . 10.7 t -63.34 -51.44 65.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.27 -179.469 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.701 ' HG3' HD11 ' A' ' 178' ' ' LEU . 5.2 ttm180 -54.41 -50.22 68.1 Favored 'General case' 0 C--O 1.231 0.099 0 N-CA-C 111.685 0.254 . . . . 0.0 111.685 -178.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -55.32 -54.64 41.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.936 0.398 . . . . 0.0 110.841 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -63.25 -28.27 69.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.174 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.442 ' HA ' HD12 ' A' ' 96' ' ' LEU . 5.5 tp -67.11 -55.39 14.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.939 0.4 . . . . 0.0 110.87 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 56.3 m -58.26 -35.51 71.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.644 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 98' ' ' LEU . 23.4 mt -62.45 -46.66 87.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.261 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.445 ' HA ' ' HG2' ' A' ' 102' ' ' GLN . 10.2 pt20 -68.78 -38.14 79.79 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.809 0.338 . . . . 0.0 111.253 -179.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.523 HD11 ' CE2' ' A' ' 187' ' ' TYR . 6.8 mt -70.15 -42.05 73.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.248 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.544 ' O ' HG22 ' A' ' 105' ' ' VAL . 0.0 OUTLIER -71.39 -33.28 69.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.839 -179.178 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.445 ' HG2' ' HA ' ' A' ' 99' ' ' GLN . 6.1 pt20 -71.94 -38.33 69.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.878 0.371 . . . . 0.0 110.786 179.539 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.29 -46.09 68.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.163 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.434 HD12 ' O ' ' A' ' 100' ' ' LEU . 18.7 mt -60.41 -51.73 69.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.303 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.544 HG22 ' O ' ' A' ' 101' ' ' ARG . 30.8 m -58.91 -32.16 46.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.754 0.312 . . . . 0.0 111.404 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -77.63 -2.48 36.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.615 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 69.45 32.33 71.58 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.627 -0.796 . . . . 0.0 112.465 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 55.1 mmm-85 -98.7 3.08 47.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.538 0.209 . . . . 0.0 111.411 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.88 HD23 ' HD2' ' A' ' 110' ' ' PRO . 0.4 OUTLIER -144.0 130.72 10.28 Favored Pre-proline 0 C--N 1.332 -0.181 0 CA-C-N 116.731 -0.213 . . . . 0.0 110.63 179.907 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.88 ' HD2' HD23 ' A' ' 109' ' ' LEU . 69.3 Cg_endo -74.22 121.71 7.05 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.46 2.107 . . . . 0.0 112.482 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -140.16 168.24 20.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.685 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -101.72 164.83 11.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.928 0.394 . . . . 0.0 111.035 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.425 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 52.9 t80 -58.99 -51.05 71.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.828 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.2 -41.55 75.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.534 -179.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.633 HG22 ' CD1' ' A' ' 119' ' ' LEU . 99.6 m -69.57 -39.17 77.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.831 0.348 . . . . 0.0 110.294 179.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 116' ' ' LEU . 18.1 mt -59.49 -48.64 80.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.176 179.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.471 ' HB1' ' HB3' ' A' ' 157' ' ' LYS . . . -68.8 -35.92 77.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.514 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.419 ' HG ' ' CE2' ' A' ' 122' ' ' TYR . 7.0 tt -68.28 -51.95 39.2 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.906 0.384 . . . . 0.0 110.931 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.683 HD22 ' CD2' ' A' ' 177' ' ' PHE . 21.8 mt -60.03 -34.24 73.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.369 179.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.407 ' O ' HG12 ' A' ' 124' ' ' ILE . . . -71.33 -50.69 20.41 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.111 179.293 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 40.0 m -53.56 -36.07 61.48 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.645 0.239 . . . . 0.0 111.645 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.443 ' CE2' ' HB3' ' A' ' 176' ' ' GLU . 22.9 m-85 -74.94 -44.39 48.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.829 0.347 . . . . 0.0 110.89 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 61.5 m -62.44 -42.01 99.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.649 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.566 HG23 ' CD1' ' A' ' 128' ' ' LEU . 25.0 mm -62.67 -49.61 83.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.602 179.608 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . 0.409 ' O ' ' CA ' ' A' ' 129' ' ' GLY . 3.3 tm0? -59.29 -36.44 75.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.756 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 5.4 p -78.96 -26.54 43.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.162 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -80.14 -40.9 26.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.146 -179.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.566 ' CD1' HG23 ' A' ' 124' ' ' ILE . 1.1 mp -111.35 0.35 16.62 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.213 -178.314 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.409 ' CA ' ' O ' ' A' ' 125' ' ' GLN . . . 73.02 -159.59 53.64 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.505 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -56.28 156.17 6.07 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.83 0.348 . . . . 0.0 110.94 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -60.71 138.18 58.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 27.4 p-10 -140.42 90.61 10.07 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.915 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.56 -24.13 22.47 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.56 2.174 . . . . 0.0 112.45 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -62.81 -30.66 71.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.978 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 75.7 mt -106.72 -38.09 6.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.955 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 22.5 m80 -96.84 178.17 5.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -144.36 -104.58 0.47 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.468 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 2.9 t -138.06 154.62 28.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.8 0.333 . . . . 0.0 111.128 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 61.22 19.81 10.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.194 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 23.7 p90 -73.32 -19.94 60.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.076 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.826 HG11 HD11 ' A' ' 146' ' ' LEU . 22.0 t -70.19 -9.5 12.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.45 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 29.9 m -61.56 -14.18 27.76 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.805 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.77 -28.43 21.71 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.785 0.326 . . . . 0.0 110.838 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' PHE . . . . . 0.448 ' CE2' HD11 ' A' ' 128' ' ' LEU . 92.9 m-85 -93.33 123.19 36.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.94 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . 0.43 ' O ' HG11 ' A' ' 105' ' ' VAL . 8.8 mtmt -78.43 96.16 5.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.103 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 1.03 HD13 HG21 ' A' ' 158' ' ' VAL . 3.6 mt -86.14 -21.04 27.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.101 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.756 ' HB1' ' HD2' ' A' ' 148' ' ' PRO . . . -176.07 166.94 1.65 Allowed Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.033 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . 0.756 ' HD2' ' HB1' ' A' ' 147' ' ' ALA . 44.9 Cg_endo -68.46 -46.96 1.68 Allowed 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.52 2.146 . . . . 0.0 112.297 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -103.08 71.37 1.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . 0.481 ' NE2' HD12 ' A' ' 146' ' ' LEU . 26.6 tt0 -78.13 121.22 24.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.948 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 3.4 p -120.1 166.87 12.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.917 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.52 -35.33 12.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.688 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . 0.425 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -62.5 -57.74 10.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.63 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.932 ' O ' HG23 ' A' ' 158' ' ' VAL . 45.8 tp -59.34 -44.23 92.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.404 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -59.22 -53.93 52.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.675 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -54.99 -49.91 70.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.949 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.471 ' HB3' ' HB1' ' A' ' 117' ' ' ALA . 14.4 tptt -57.49 -32.02 66.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.187 -179.205 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 1.03 HG21 HD13 ' A' ' 146' ' ' LEU . 57.3 t -67.08 -52.76 40.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.891 0.377 . . . . 0.0 111.022 179.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 11.0 mtm -67.95 -42.67 80.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.145 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -57.03 -55.16 38.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.053 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 23.4 mt -59.6 -37.56 78.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.821 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -54.49 -53.66 51.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.992 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.37 -25.09 46.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.058 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 10.4 t -68.96 -25.95 64.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.219 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -74.8 128.74 36.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.845 0.355 . . . . 0.0 111.078 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.86 -161.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.739 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 26.5 t -67.18 72.47 0.11 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.958 0.409 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 2.2 tpp -82.66 149.84 27.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.84 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . 0.455 ' HB ' ' HD2' ' A' ' 170' ' ' PRO . 69.4 p -100.12 157.23 34.23 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.617 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . 0.455 ' HD2' ' HB ' ' A' ' 169' ' ' THR . 6.6 Cg_endo -48.85 -52.86 7.88 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.609 2.206 . . . . 0.0 112.174 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -50.41 -41.12 51.81 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.456 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -57.81 -45.57 85.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.719 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -65.18 -43.54 91.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.656 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -60.62 -42.38 96.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.282 0.563 . . . . 0.0 110.64 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 14.7 tp -72.59 -34.48 67.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.419 -0.809 . . . . 0.0 111.411 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . 0.443 ' HB3' ' CE2' ' A' ' 122' ' ' TYR . 30.5 mm-40 -60.16 -54.33 47.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.992 -178.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . 0.683 ' CD2' HD22 ' A' ' 119' ' ' LEU . 16.5 t80 -68.59 -46.89 68.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.611 0.243 . . . . 0.0 110.635 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 178' ' ' LEU . . . . . 0.701 HD11 ' HG3' ' A' ' 93' ' ' ARG . 35.6 mt -58.43 -38.36 77.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.057 0.456 . . . . 0.0 110.333 179.546 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.12 -33.85 75.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.827 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -73.6 -49.74 24.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.446 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -60.81 -37.83 83.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.577 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 10.4 mttm -67.55 -39.03 84.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.046 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 9.6 mtpt -77.76 -22.01 50.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.129 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.3 mt -91.08 -8.53 48.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.359 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 63.57 71.32 0.5 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.885 0.374 . . . . 0.0 110.886 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 28.6 mmm -108.42 -26.69 10.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.956 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 187' ' ' TYR . . . . . 0.523 ' CE2' HD11 ' A' ' 100' ' ' LEU . 11.8 m-85 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.918 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.18 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.5 t -127.95 28.81 5.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.803 0.335 . . . . 0.0 110.945 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 27.6 m170 57.39 30.82 19.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.033 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.37 154.38 22.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -116.36 119.57 36.12 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.16 -2.71 12.94 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.494 2.13 . . . . 0.0 112.764 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -103.68 29.95 5.4 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.819 0.343 . . . . 0.0 111.028 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -94.15 19.53 9.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.041 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.515 ' H ' HD23 ' A' ' 87' ' ' LEU . 0.4 OUTLIER -71.24 -33.87 70.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.954 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.8 p -65.94 -50.95 62.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.511 ' HA ' HG22 ' A' ' 92' ' ' THR . 1.0 OUTLIER -57.23 -31.56 65.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.947 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -71.86 -48.43 46.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.201 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 17.7 mt -67.3 -46.15 84.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.127 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.511 HG22 ' HA ' ' A' ' 89' ' ' GLU . 7.1 t -55.86 -51.84 66.13 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 121.036 -0.266 . . . . 0.0 110.674 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.823 ' CG ' HD11 ' A' ' 178' ' ' LEU . 2.9 ttp180 -54.94 -46.44 74.98 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-O 120.778 0.323 . . . . 0.0 110.896 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -52.48 -55.2 23.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.976 0.417 . . . . 0.0 110.868 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -67.98 -28.4 67.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.249 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 7.5 tp -67.9 -52.2 39.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.842 0.353 . . . . 0.0 110.616 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 9.0 m -58.69 -44.05 90.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.678 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 71.9 mt -57.84 -42.08 83.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -67.96 -47.99 67.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.086 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.524 HD21 ' HB2' ' A' ' 186' ' ' MET . 4.2 mt -61.79 -45.45 93.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.935 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.622 ' HA ' HD12 ' A' ' 104' ' ' ILE . 0.0 OUTLIER -66.72 -28.34 68.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.08 -179.908 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -71.3 -38.39 71.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.932 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -71.03 -40.13 71.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.622 HD12 ' HA ' ' A' ' 101' ' ' ARG . 11.2 mt -64.01 -49.74 80.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.147 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.578 HG11 ' O ' ' A' ' 145' ' ' LYS . 27.2 m -61.16 -32.21 52.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.497 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -80.93 -4.35 54.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.467 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 69.1 31.57 72.24 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.46 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 5.2 mtm-85 -86.21 2.82 45.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.564 0.221 . . . . 0.0 111.413 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -155.94 118.35 2.3 Favored Pre-proline 0 C--N 1.332 -0.159 0 CA-C-O 120.496 0.189 . . . . 0.0 110.769 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.7 126.85 23.21 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.508 2.139 . . . . 0.0 112.438 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -141.06 168.34 20.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.676 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 7.6 p -101.9 161.2 13.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.103 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -57.33 -47.78 80.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.85 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.25 -40.75 74.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.568 -179.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.469 HG22 ' CD1' ' A' ' 119' ' ' LEU . 78.5 m -71.27 -38.34 71.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.882 0.372 . . . . 0.0 110.344 179.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 116' ' ' LEU . 26.3 mt -60.31 -47.55 85.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.168 179.465 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.445 ' HB1' ' HB3' ' A' ' 157' ' ' LYS . . . -71.12 -35.27 71.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.523 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 6.6 tt -68.76 -51.92 35.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.847 0.356 . . . . 0.0 110.851 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.81 HD22 ' CD2' ' A' ' 177' ' ' PHE . 68.1 mt -61.77 -34.12 75.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.269 179.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.408 ' O ' HG12 ' A' ' 124' ' ' ILE . . . -71.28 -49.79 24.71 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.747 -0.74 . . . . 0.0 111.786 179.197 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 49.8 m -53.44 -36.84 62.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.623 0.249 . . . . 0.0 111.49 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.456 ' CE2' ' HB3' ' A' ' 176' ' ' GLU . 24.7 m-85 -72.81 -46.0 55.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.744 0.307 . . . . 0.0 110.788 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 70.1 m -59.96 -39.3 85.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.684 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.542 HG23 HD12 ' A' ' 128' ' ' LEU . 32.2 mm -63.76 -49.51 81.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.532 179.559 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . 0.421 ' HA ' ' CE1' ' A' ' 162' ' ' HIS . 17.5 tm0? -59.48 -36.23 75.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.76 -27.53 44.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.145 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.34 -43.89 22.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.161 -179.373 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.817 HD11 ' CE2' ' A' ' 144' ' ' PHE . 1.3 mt -107.23 0.89 23.57 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.023 -178.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.414 ' CA ' ' O ' ' A' ' 125' ' ' GLN . . . 78.49 -166.32 52.27 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.391 -0.909 . . . . 0.0 112.458 179.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.95 156.03 32.48 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.812 0.339 . . . . 0.0 110.764 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . 0.467 ' CD2' ' HG2' ' A' ' 163' ' ' LYS . 67.2 t80 -73.63 147.72 43.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -146.47 98.75 4.21 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.828 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.41 -21.06 61.18 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.383 2.055 . . . . 0.0 112.479 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.12 -30.72 71.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.853 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 70.7 mt -97.16 -19.57 18.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.195 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 15.3 m170 61.94 156.62 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.861 0.362 . . . . 0.0 111.007 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 157.52 121.39 0.66 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.412 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 11.0 m -144.64 167.59 10.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.878 0.371 . . . . 0.0 111.26 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 64.44 15.33 9.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.515 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -79.75 -10.16 59.75 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.586 0.231 . . . . 0.0 111.272 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.738 HG13 HD11 ' A' ' 146' ' ' LEU . 6.2 t -66.36 -23.48 31.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.817 0.341 . . . . 0.0 111.069 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.71 -14.39 43.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.506 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -93.09 -25.66 17.8 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.809 0.338 . . . . 0.0 110.825 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' PHE . . . . . 0.817 ' CE2' HD11 ' A' ' 128' ' ' LEU . 79.0 m-85 -98.81 120.09 38.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.897 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . 0.578 ' O ' HG11 ' A' ' 105' ' ' VAL . 21.2 mttt -78.46 94.57 4.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.006 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.738 HD11 HG13 ' A' ' 141' ' ' VAL . 1.3 mt -97.61 -25.73 15.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.104 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.421 ' HB1' ' CD ' ' A' ' 148' ' ' PRO . . . -162.34 167.96 11.53 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.218 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . 0.421 ' CD ' ' HB1' ' A' ' 147' ' ' ALA . 3.1 Cg_exo -74.43 -69.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.861 2.374 . . . . 0.0 112.33 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -86.4 74.63 9.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . 0.654 ' HG3' HD23 ' A' ' 154' ' ' LEU . 6.9 tt0 -76.43 118.04 18.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.97 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 3.3 p -116.88 170.34 8.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.826 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.29 -35.83 19.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.603 179.639 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -57.59 10.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.706 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.934 ' O ' HG23 ' A' ' 158' ' ' VAL . 39.1 tp -60.68 -42.08 96.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.342 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -59.88 -53.99 51.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.59 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -55.47 -49.02 73.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.445 ' HB3' ' HB1' ' A' ' 117' ' ' ALA . 3.4 tptp -57.55 -32.91 67.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.159 -179.199 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.934 HG23 ' O ' ' A' ' 154' ' ' LEU . 60.9 t -67.04 -49.6 71.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.857 0.36 . . . . 0.0 110.851 179.533 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 11.9 mtt -68.33 -41.01 81.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.057 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -61.38 -52.76 63.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.959 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 13.5 mt -57.62 -42.3 83.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.082 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . 0.421 ' CE1' ' HA ' ' A' ' 125' ' ' GLN . 3.4 t-160 -54.61 -56.71 16.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.101 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . 0.467 ' HG2' ' CD2' ' A' ' 131' ' ' TYR . 6.6 mtpp -71.32 -25.09 62.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 45.5 t -67.19 -26.87 66.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.27 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -77.92 127.18 31.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.931 0.396 . . . . 0.0 111.084 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 5.0 ptt85 -63.99 -157.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.689 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.56 73.18 0.15 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.977 0.418 . . . . 0.0 110.725 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 35.8 ttm -86.67 146.95 26.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.049 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . 0.431 ' HB ' ' HD2' ' A' ' 170' ' ' PRO . 23.5 p -97.48 162.62 21.92 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.716 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . 0.431 ' HD2' ' HB ' ' A' ' 169' ' ' THR . 50.4 Cg_exo -53.22 -52.17 9.34 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.42 2.08 . . . . 0.0 111.723 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -49.99 -43.27 50.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.427 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -58.1 -47.8 82.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.697 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -61.34 -44.69 96.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.545 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.43 -39.88 77.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.511 179.458 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 175' ' ' LEU . 7.9 tp -72.58 -37.11 68.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.5 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . 0.456 ' HB3' ' CE2' ' A' ' 122' ' ' TYR . 64.1 mm-40 -58.69 -54.82 42.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.313 -0.403 . . . . 0.0 112.063 -178.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . 0.81 ' CD2' HD22 ' A' ' 119' ' ' LEU . 11.3 t80 -70.01 -43.89 70.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.62 0.248 . . . . 0.0 110.823 -179.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 178' ' ' LEU . . . . . 0.823 HD11 ' CG ' ' A' ' 93' ' ' ARG . 21.6 mt -60.16 -40.08 88.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.871 0.367 . . . . 0.0 110.62 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -69.43 -33.04 72.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.78 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 180' ' ' ASN . . . . . 0.84 ' O ' HD12 ' A' ' 184' ' ' LEU . 0.9 OUTLIER -72.39 -49.84 30.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.091 179.447 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -61.52 -37.9 85.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.618 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.97 -33.7 74.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.679 179.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -19.64 64.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.041 179.635 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.84 HD12 ' O ' ' A' ' 180' ' ' ASN . 1.2 mp -103.64 -13.55 16.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.765 -179.328 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 2.6 m 62.89 73.79 0.45 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.83 0.348 . . . . 0.0 110.892 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 186' ' ' MET . . . . . 0.524 ' HB2' HD21 ' A' ' 100' ' ' LEU . 20.4 mtp -103.21 -26.98 12.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 187' ' ' TYR . . . . . 0.42 ' CD1' HD11 ' A' ' 100' ' ' LEU . 4.1 p90 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.909 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.189 0 N-CA-C 112.558 -0.217 . . . . 0.0 112.558 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.54 152.85 2.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.86 0.362 . . . . 0.0 110.871 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -132.84 -61.78 0.83 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.46 178.22 4.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -125.61 114.69 25.06 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.744 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.67 -24.99 21.14 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.388 2.058 . . . . 0.0 112.386 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.453 ' HB1' HD21 ' A' ' 87' ' ' LEU . . . -79.47 -42.41 25.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.264 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 60.2 40.65 17.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.737 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.453 HD21 ' HB1' ' A' ' 85' ' ' ALA . 16.8 mt -75.31 -53.52 8.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.12 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 3.3 m -55.92 -51.15 68.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.217 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.436 ' HA ' HG22 ' A' ' 92' ' ' THR . 2.5 mp0 -54.87 -29.96 56.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.982 0.42 . . . . 0.0 110.705 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.96 -47.8 42.25 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.072 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 42.1 mm -61.06 -45.32 98.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.285 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.477 HG23 ' N ' ' A' ' 93' ' ' ARG . 9.7 t -64.05 -51.13 65.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.241 -179.4 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.523 ' CG ' HD11 ' A' ' 178' ' ' LEU . 0.3 OUTLIER -54.34 -48.54 71.3 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 120.552 0.215 . . . . 0.0 111.572 -178.888 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -56.97 -52.51 64.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.928 0.394 . . . . 0.0 110.783 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -65.08 -28.28 69.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.241 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.423 ' HB2' ' O ' ' A' ' 92' ' ' THR . 5.6 tp -70.22 -55.45 9.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.891 0.377 . . . . 0.0 110.838 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.7 m -55.67 -39.14 70.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.752 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 67.8 mt -63.11 -46.22 88.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.819 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -66.71 -48.63 68.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.977 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.589 HD11 ' CZ ' ' A' ' 187' ' ' TYR . 3.0 mt -58.84 -48.08 82.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.75 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.687 ' HA ' HD12 ' A' ' 104' ' ' ILE . 6.3 ttp180 -64.49 -28.57 69.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.088 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.32 -38.5 71.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.963 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -70.94 -37.56 72.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.094 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.687 HD12 ' HA ' ' A' ' 101' ' ' ARG . 10.7 mt -66.58 -52.88 41.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.355 -179.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.622 HG11 ' O ' ' A' ' 145' ' ' LYS . 27.4 m -60.91 -32.04 51.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.621 -179.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -79.24 -3.07 44.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.596 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 65.31 40.47 96.55 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.475 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.09 6.75 48.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.585 0.231 . . . . 0.0 111.328 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -156.12 138.15 10.03 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-O 120.603 0.239 . . . . 0.0 110.759 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.85 122.84 8.85 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.402 2.068 . . . . 0.0 112.414 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 11.4 m -137.48 168.25 20.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.632 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 88.6 p -104.06 161.23 14.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.092 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.454 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 43.9 t80 -56.82 -48.39 78.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.932 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.24 -44.72 79.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.629 -179.104 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.643 HG22 ' CD1' ' A' ' 119' ' ' LEU . 89.4 m -67.44 -39.94 85.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.836 0.35 . . . . 0.0 110.577 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 116' ' ' LEU . 16.9 mt -58.43 -48.0 82.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.024 0.44 . . . . 0.0 110.141 179.428 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.39 -35.26 75.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.549 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.422 ' HG ' ' CE2' ' A' ' 122' ' ' TYR . 6.2 tt -69.14 -52.09 31.68 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.832 0.349 . . . . 0.0 111.027 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.69 HD22 ' CD2' ' A' ' 177' ' ' PHE . 20.7 mt -60.54 -34.15 73.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.324 179.668 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.424 ' O ' HG12 ' A' ' 124' ' ' ILE . . . -71.3 -50.05 23.46 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.693 -0.765 . . . . 0.0 111.961 179.208 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 29.0 m -53.44 -36.36 61.48 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.656 0.243 . . . . 0.0 111.656 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.446 ' CE2' ' HB3' ' A' ' 176' ' ' GLU . 23.5 m-85 -74.23 -46.56 40.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.711 0.291 . . . . 0.0 110.938 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 84.1 m -58.94 -43.26 91.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.608 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.606 HD11 HD21 ' A' ' 146' ' ' LEU . 26.8 mm -61.89 -48.41 88.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.229 179.44 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . 0.434 ' HA ' ' CE1' ' A' ' 162' ' ' HIS . 5.3 tp60 -57.83 -38.48 75.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.771 179.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.83 -25.17 44.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.348 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -80.27 -41.47 24.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.219 -179.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.562 ' CD1' HG23 ' A' ' 124' ' ' ILE . 1.2 mp -113.05 1.63 15.41 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.308 -178.2 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 78.82 -95.83 1.39 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.368 -0.92 . . . . 0.0 112.554 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -120.82 172.5 7.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.793 0.33 . . . . 0.0 110.78 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -66.16 105.83 1.49 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -114.91 90.69 23.63 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.46 -24.52 69.44 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.601 2.201 . . . . 0.0 112.362 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 6.2 pm0 -64.32 -31.5 72.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.155 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 52.0 mt -83.27 -45.48 13.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.037 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 70.2 m80 -148.95 -175.54 4.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 171.54 131.5 1.36 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.673 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 21.4 t 64.29 113.54 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.91 0.386 . . . . 0.0 111.293 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 58.33 22.8 9.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.342 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . 0.404 ' CZ ' ' HG2' ' A' ' 159' ' ' MET . 51.9 p90 -70.02 -23.37 63.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.007 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.806 ' CG1' HD11 ' A' ' 146' ' ' LEU . 21.4 t -73.71 -8.06 10.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.444 179.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 28.1 t -64.09 -14.24 53.26 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.639 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -87.32 -26.77 23.24 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.763 0.316 . . . . 0.0 110.971 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' PHE . . . . . 0.48 ' CZ ' HD11 ' A' ' 128' ' ' LEU . 73.2 m-85 -93.44 129.36 39.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.017 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . 0.622 ' O ' HG11 ' A' ' 105' ' ' VAL . 5.5 mttt -85.92 92.13 8.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.945 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.806 HD11 ' CG1' ' A' ' 141' ' ' VAL . 2.9 mt -92.6 -19.15 22.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.278 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.582 ' HB1' ' HD2' ' A' ' 148' ' ' PRO . . . -171.23 161.62 5.28 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.182 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . 0.582 ' HD2' ' HB1' ' A' ' 147' ' ' ALA . 57.5 Cg_endo -71.15 -41.13 2.78 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.542 2.162 . . . . 0.0 112.285 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -107.08 70.94 0.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.776 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . 0.597 ' HG3' HD23 ' A' ' 154' ' ' LEU . 10.5 tt0 -80.05 121.65 25.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.013 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 5.5 p -120.72 168.15 11.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.812 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . 0.402 ' HG2' ' N ' ' A' ' 153' ' ' GLU . 0.0 OUTLIER -50.23 -33.41 19.47 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.589 179.758 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . 0.454 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 0.4 OUTLIER -63.51 -55.86 20.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.638 179.907 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.917 ' O ' HG23 ' A' ' 158' ' ' VAL . 43.4 tp -62.54 -40.34 96.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.289 179.662 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . 0.404 ' HG2' ' HG2' ' A' ' 150' ' ' GLN . 2.5 mm-40 -61.83 -53.91 49.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.67 179.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -54.74 -50.48 68.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.165 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 13.2 tptt -57.65 -34.68 69.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.369 -179.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.917 HG23 ' O ' ' A' ' 154' ' ' LEU . 91.9 t -67.05 -51.82 50.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.806 0.336 . . . . 0.0 111.211 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' MET . . . . . 0.404 ' HG2' ' CZ ' ' A' ' 140' ' ' TYR . 10.4 mtm -68.2 -41.21 81.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.316 -179.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.22 -54.23 43.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.012 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 9.9 mt -56.79 -40.91 76.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.852 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . 0.434 ' CE1' ' HA ' ' A' ' 125' ' ' GLN . 3.2 t-160 -57.98 -54.55 45.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.723 179.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.12 -31.45 71.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.956 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.04 -22.8 29.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.417 -179.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 165' ' ' TYR . . . . . 0.432 ' O ' ' HB2' ' A' ' 166' ' ' ARG . 31.9 m-85 -90.83 -87.69 0.19 Allowed 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.096 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 166' ' ' ARG . . . . . 0.432 ' HB2' ' O ' ' A' ' 165' ' ' TYR . 4.3 mmm180 66.68 -0.29 1.64 Allowed 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 35.3 m -134.79 30.99 3.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.9 0.381 . . . . 0.0 110.91 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 2.7 ttp -112.76 151.41 30.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.001 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . 0.416 ' HB ' ' HD2' ' A' ' 170' ' ' PRO . 69.8 p -99.53 160.26 27.9 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.656 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . 0.416 ' HD2' ' HB ' ' A' ' 169' ' ' THR . 55.0 Cg_exo -51.33 -54.34 5.57 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.4 2.067 . . . . 0.0 111.638 179.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -51.23 -42.62 61.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.414 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.79 -44.38 86.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.62 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -67.69 -45.06 76.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.606 179.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -58.28 -41.58 84.68 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.561 179.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 175' ' ' LEU . 12.2 tp -72.47 -33.07 66.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.023 179.285 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . 0.446 ' HB3' ' CE2' ' A' ' 122' ' ' TYR . 23.0 mm-40 -59.43 -54.27 48.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.892 -179.104 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . 0.69 ' CD2' HD22 ' A' ' 119' ' ' LEU . 47.1 t80 -70.85 -43.6 68.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.671 -0.24 . . . . 0.0 110.988 -179.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 178' ' ' LEU . . . . . 0.523 HD11 ' CG ' ' A' ' 93' ' ' ARG . 28.4 mt -61.28 -41.23 96.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.858 0.361 . . . . 0.0 110.705 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -69.08 -32.58 72.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.811 179.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -72.82 -49.8 28.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.273 179.416 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -61.81 -37.81 85.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.743 179.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 9.1 mttm -68.75 -35.99 77.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.745 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -77.54 -21.4 52.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.186 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.6 mt -93.03 -1.53 56.52 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.41 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.98 36.72 12.32 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.802 0.334 . . . . 0.0 110.911 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 31.6 mtp -71.01 -29.51 65.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 187' ' ' TYR . . . . . 0.589 ' CZ ' HD11 ' A' ' 100' ' ' LEU . 45.2 m-85 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.93 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.167 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.3 t 60.66 103.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.777 0.323 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 42.7 m-70 -118.64 130.56 55.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.18 158.88 15.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -98.28 100.71 9.55 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -69.74 -10.68 29.16 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.429 2.086 . . . . 0.0 112.628 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -99.07 32.1 2.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.851 0.357 . . . . 0.0 111.184 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -89.9 -8.82 50.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.336 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.635 ' H ' HD23 ' A' ' 87' ' ' LEU . 1.5 pt? -101.0 -18.35 16.32 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.324 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 39.7 p -55.56 -51.01 68.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.189 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.432 ' HA ' HG22 ' A' ' 92' ' ' THR . 18.8 mt-10 -54.33 -30.03 49.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.865 0.364 . . . . 0.0 110.838 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.49 -47.71 39.12 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 179.178 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 49.6 mm -60.2 -46.46 94.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.979 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.465 HG23 ' N ' ' A' ' 93' ' ' ARG . 9.3 t -63.87 -50.9 66.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.019 -179.703 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.465 ' N ' HG23 ' A' ' 92' ' ' THR . 1.5 tmm_? -54.44 -51.11 66.0 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 120.537 0.208 . . . . 0.0 111.465 -179.018 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -54.18 -53.05 58.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.916 0.389 . . . . 0.0 110.736 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -64.13 -28.44 69.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.022 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.428 ' HA ' HD12 ' A' ' 96' ' ' LEU . 5.9 tp -69.28 -55.33 10.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.887 0.375 . . . . 0.0 110.643 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 72.7 m -52.82 -44.38 66.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.706 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 89.3 mt -62.56 -38.75 91.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.643 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.449 ' HA ' ' HG2' ' A' ' 102' ' ' GLN . 0.0 OUTLIER -65.89 -45.86 80.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.059 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.458 ' O ' HD12 ' A' ' 104' ' ' ILE . 3.0 mm? -69.51 -33.59 73.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.009 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.482 ' O ' HG22 ' A' ' 105' ' ' VAL . 0.0 OUTLIER -74.29 -34.16 63.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.399 -179.578 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.449 ' HG2' ' HA ' ' A' ' 99' ' ' GLN . 10.5 pt20 -71.75 -38.49 70.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.75 0.31 . . . . 0.0 110.958 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.409 ' N ' ' HG3' ' A' ' 102' ' ' GLN . 1.2 m-20 -70.48 -44.31 67.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.216 -179.713 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.458 HD12 ' O ' ' A' ' 100' ' ' LEU . 35.3 mt -61.6 -54.31 36.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.425 -179.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 101' ' ' ARG . 35.1 m -57.1 -32.03 38.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.64 -0.254 . . . . 0.0 111.553 -179.654 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -82.53 -3.83 56.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.508 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 66.83 38.26 92.86 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.585 -0.816 . . . . 0.0 112.426 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 14.9 ttt180 -91.3 4.1 53.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.557 0.217 . . . . 0.0 111.384 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 30.1 mt -152.16 138.9 12.18 Favored Pre-proline 0 C--N 1.332 -0.194 0 CA-C-O 120.66 0.267 . . . . 0.0 110.768 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.31 123.34 7.64 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.472 2.115 . . . . 0.0 112.409 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 66.7 m -139.94 168.26 20.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.739 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.0 162.72 12.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.083 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -56.84 -48.23 78.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.913 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.2 -47.51 78.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.664 -179.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.633 HG22 ' CD1' ' A' ' 119' ' ' LEU . 92.5 m -65.26 -41.8 93.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.859 0.362 . . . . 0.0 110.534 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.418 ' HA ' HD23 ' A' ' 116' ' ' LEU . 14.1 mt -56.78 -47.13 80.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.273 179.513 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.543 ' HB1' ' HB3' ' A' ' 157' ' ' LYS . . . -70.2 -35.32 73.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.553 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 8.0 tt -67.73 -51.78 45.25 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.874 0.368 . . . . 0.0 110.946 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.633 ' CD1' HG22 ' A' ' 115' ' ' THR . 13.4 mt -62.06 -34.02 75.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.409 179.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.483 ' CA ' HD22 ' A' ' 146' ' ' LEU . . . -71.38 -52.02 14.75 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.028 179.336 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 58.8 p -54.01 -34.36 59.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.606 0.241 . . . . 0.0 111.389 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.436 ' CE2' ' HB3' ' A' ' 176' ' ' GLU . 14.8 m-85 -73.35 -46.66 47.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.797 0.332 . . . . 0.0 110.838 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 16.3 m -59.5 -39.35 83.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.641 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.557 HG23 HD12 ' A' ' 128' ' ' LEU . 28.5 mm -64.22 -49.25 82.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.405 179.519 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . 0.43 ' HA ' ' CE1' ' A' ' 162' ' ' HIS . 2.0 tp60 -59.76 -37.52 79.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.967 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.83 -28.9 44.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.844 0.354 . . . . 0.0 111.319 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -78.63 -41.37 31.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.296 -179.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.843 HD11 ' CE2' ' A' ' 144' ' ' PHE . 1.7 mt -109.77 0.52 18.88 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.04 -178.579 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.411 ' CA ' ' O ' ' A' ' 125' ' ' GLN . . . 77.97 -164.7 51.75 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.468 -0.872 . . . . 0.0 112.448 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -59.79 162.99 4.79 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.779 0.323 . . . . 0.0 110.941 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -75.83 137.9 40.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -124.39 90.63 50.6 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.15 -34.54 98.56 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.619 2.213 . . . . 0.0 112.331 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -61.47 -31.41 71.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 46.0 mt -79.42 -21.52 45.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.126 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 37.7 m80 63.65 81.54 0.2 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -142.92 119.92 1.46 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.298 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 12.3 m -142.25 -35.77 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 111.696 0.258 . . . . 0.0 111.696 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -87.92 17.95 4.53 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -79.97 -3.7 49.41 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.618 0.247 . . . . 0.0 111.303 179.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.877 ' CG1' HD11 ' A' ' 146' ' ' LEU . 5.0 t -70.32 -25.79 27.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.752 0.311 . . . . 0.0 111.234 -179.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.25 -14.47 55.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.476 179.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -84.94 -30.56 24.2 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.822 0.344 . . . . 0.0 110.813 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' PHE . . . . . 0.843 ' CE2' HD11 ' A' ' 128' ' ' LEU . 90.7 m-85 -100.4 120.8 40.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.807 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 2.5 mttp -76.29 100.53 5.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.098 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.877 HD11 ' CG1' ' A' ' 141' ' ' VAL . 1.0 OUTLIER -91.86 -21.14 20.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.049 179.917 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.579 ' HB1' ' HD2' ' A' ' 148' ' ' PRO . . . -170.63 161.81 5.94 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.072 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . 0.579 ' HD2' ' HB1' ' A' ' 147' ' ' ALA . 55.3 Cg_endo -70.1 -41.48 3.81 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.545 2.163 . . . . 0.0 112.385 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -107.64 70.66 0.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.812 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -79.31 120.14 23.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.013 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 2.9 p -118.13 169.25 9.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.815 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -49.53 -36.03 22.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.624 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -61.86 -59.92 4.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.665 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.932 ' O ' HG23 ' A' ' 158' ' ' VAL . 43.2 tp -59.21 -41.17 87.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.497 179.665 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.16 -54.03 50.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.641 179.675 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -56.17 -48.39 76.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.543 ' HB3' ' HB1' ' A' ' 117' ' ' ALA . 14.1 tptt -57.51 -33.6 68.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 -179.163 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.932 HG23 ' O ' ' A' ' 154' ' ' LEU . 60.5 t -67.07 -48.42 79.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.888 0.375 . . . . 0.0 110.842 179.512 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 8.3 mtt -68.28 -41.68 80.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.969 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.3 -46.28 90.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.824 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.473 HD22 ' OH ' ' A' ' 165' ' ' TYR . 56.4 mt -64.1 -42.34 96.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.828 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . 0.43 ' CE1' ' HA ' ' A' ' 125' ' ' GLN . 4.9 t-160 -56.26 -56.7 17.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.009 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.43 -26.96 62.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.973 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 1.7 m -61.7 -28.28 69.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.071 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 165' ' ' TYR . . . . . 0.473 ' OH ' HD22 ' A' ' 161' ' ' LEU . 19.8 m-85 -87.18 -91.92 0.1 Allowed 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.913 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 1.4 mtp85 67.32 146.02 0.04 OUTLIER 'General case' 0 C--O 1.232 0.134 0 CA-C-O 120.695 0.283 . . . . 0.0 110.619 -179.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 76.59 25.89 0.89 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.713 -179.476 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 57.2 ttm -109.51 157.85 18.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.83 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . 0.412 ' HB ' ' HD2' ' A' ' 170' ' ' PRO . 1.2 p -107.72 161.97 21.4 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.716 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . 0.412 ' HD2' ' HB ' ' A' ' 169' ' ' THR . 10.2 Cg_endo -53.42 -51.18 11.53 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.537 2.158 . . . . 0.0 111.967 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -50.71 -46.72 59.12 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.495 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -57.71 -50.76 72.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.806 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -59.91 -43.13 95.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.471 179.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -57.38 -37.93 73.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.322 179.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' A' ' 175' ' ' LEU . 1.3 tp -72.5 -37.43 68.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.439 179.509 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . 0.436 ' HB3' ' CE2' ' A' ' 122' ' ' TYR . 6.3 mm-40 -59.76 -54.62 44.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 112.217 -178.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . 0.42 ' CE2' ' HB3' ' A' ' 119' ' ' LEU . 15.0 t80 -70.02 -45.8 66.42 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.977 -0.289 . . . . 0.0 111.025 -179.572 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 178' ' ' LEU . . . . . 0.456 HD11 ' HG2' ' A' ' 93' ' ' ARG . 17.9 mt -60.78 -38.54 85.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.855 0.36 . . . . 0.0 110.692 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -69.67 -32.71 71.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.648 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 180' ' ' ASN . . . . . 0.549 ' HB3' HD21 ' A' ' 119' ' ' LEU . 0.8 OUTLIER -73.68 -49.64 24.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.197 179.389 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -61.8 -37.79 85.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.693 179.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 10.7 ttpp -71.34 -32.62 68.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.702 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 13.3 mtpt -75.53 -20.96 58.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.076 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.5 mt -89.94 -16.44 29.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.225 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 11.9 m 67.25 42.72 2.2 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.902 0.382 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 42.9 mtp -72.39 -30.19 64.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.86 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 187' ' ' TYR . . . . . 0.408 ' CD1' ' N ' ' A' ' 187' ' ' TYR . 3.7 p90 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.926 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.206 0 N-CA-C 112.557 -0.217 . . . . 0.0 112.557 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -151.15 86.29 1.36 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.352 . . . . 0.0 110.922 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -99.08 30.67 3.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.838 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -163.54 127.46 2.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.808 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.33 121.77 55.87 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.856 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -71.77 -10.21 26.06 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.492 2.128 . . . . 0.0 112.58 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -104.01 30.43 5.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.818 0.342 . . . . 0.0 111.023 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -93.69 18.44 10.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.125 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.04 -34.13 12.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.841 0.353 . . . . 0.0 110.94 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.9 p -62.04 -53.1 60.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.415 ' HA ' HG22 ' A' ' 92' ' ' THR . 3.5 tt0 -57.7 -35.44 70.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.252 -179.703 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -75.06 -49.02 21.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.878 0.37 . . . . 0.0 110.165 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 18.5 mt -65.07 -40.02 87.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.074 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.444 HG23 ' N ' ' A' ' 93' ' ' ARG . 6.2 t -62.85 -51.84 65.44 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.225 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.689 ' HG3' HD11 ' A' ' 178' ' ' LEU . 2.2 ttm105 -54.6 -49.01 71.46 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.735 0.303 . . . . 0.0 110.831 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -50.41 -58.98 4.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.958 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -59.43 -43.66 93.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.748 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.6 tp -51.67 -55.25 20.53 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.13 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.6 m -57.43 -39.79 76.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.864 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 64.5 mt -62.98 -46.74 86.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.07 -48.2 77.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.008 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.463 HD11 ' CE1' ' A' ' 187' ' ' TYR . 6.9 mt -56.24 -50.82 70.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.955 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.717 ' HA ' HD12 ' A' ' 104' ' ' ILE . 5.0 ttm180 -63.79 -28.57 69.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.162 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -71.34 -39.74 71.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.182 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -70.93 -35.48 72.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.229 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.717 HD12 ' HA ' ' A' ' 101' ' ' ARG . 9.2 mt -68.02 -52.39 39.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.444 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.422 HG11 ' HG3' ' A' ' 145' ' ' LYS . 28.3 m -59.48 -31.96 47.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.667 -179.574 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -81.95 -2.1 50.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.588 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 68.57 34.26 78.41 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.583 -0.817 . . . . 0.0 112.331 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.68 2.52 54.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.492 0.186 . . . . 0.0 111.411 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.603 HD22 ' SD ' ' A' ' 186' ' ' MET . 0.6 OUTLIER -154.11 134.08 7.81 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-O 120.564 0.221 . . . . 0.0 110.67 179.895 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.31 124.28 10.29 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.49 2.127 . . . . 0.0 112.46 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 14.7 m -140.01 144.48 36.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.727 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 41.2 m -80.56 161.59 24.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.109 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -54.31 -47.08 72.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.94 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -55.96 -52.36 64.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.583 -178.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.738 HG22 HD11 ' A' ' 119' ' ' LEU . 97.4 m -59.79 -46.06 90.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.802 0.334 . . . . 0.0 110.686 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 116' ' ' LEU . 30.2 mt -52.82 -48.76 66.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.009 0.433 . . . . 0.0 110.408 179.583 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -68.05 -35.63 78.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.686 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 8.3 tt -68.22 -52.08 38.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.784 0.326 . . . . 0.0 111.185 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.738 HD11 HG22 ' A' ' 115' ' ' THR . 8.7 mt -60.45 -34.73 74.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.995 0.426 . . . . 0.0 110.475 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.418 ' O ' HG12 ' A' ' 124' ' ' ILE . . . -71.24 -51.05 19.26 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.112 179.392 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 40.7 m -53.39 -35.36 60.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.594 0.235 . . . . 0.0 111.602 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.438 ' CD2' ' HB3' ' A' ' 176' ' ' GLU . 21.1 m-85 -75.65 -42.07 52.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.748 0.309 . . . . 0.0 111.025 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . 0.433 HG21 ' HE ' ' A' ' 101' ' ' ARG . 22.2 m -65.89 -40.09 91.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.77 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.488 HG23 ' CD1' ' A' ' 128' ' ' LEU . 20.7 mm -64.65 -50.97 73.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.736 179.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . 0.401 ' O ' ' CA ' ' A' ' 129' ' ' GLY . 4.1 tm0? -59.58 -35.31 74.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.855 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.72 -26.4 44.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.174 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -80.67 -43.58 20.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.059 -179.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.644 HD11 ' CE2' ' A' ' 144' ' ' PHE . 0.8 OUTLIER -106.65 -0.76 23.45 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.881 -0.599 . . . . 0.0 112.123 -178.624 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.401 ' CA ' ' O ' ' A' ' 125' ' ' GLN . . . 74.36 -162.87 54.32 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.503 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -58.71 148.44 29.38 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.816 0.341 . . . . 0.0 111.013 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . 0.436 ' CE2' ' HG3' ' A' ' 133' ' ' PRO . 79.5 t80 -60.7 106.78 0.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -110.69 99.32 41.25 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . 0.436 ' HG3' ' CE2' ' A' ' 131' ' ' TYR . 13.6 Cg_exo -69.02 -16.43 40.65 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.686 2.257 . . . . 0.0 112.48 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 5.2 pm0 -74.39 -30.7 62.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.352 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 66.2 mt -97.39 -45.51 6.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.196 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . 0.409 ' O ' ' HA ' ' A' ' 133' ' ' PRO . 67.6 m80 -130.06 -177.7 4.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.907 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -132.56 -93.92 0.56 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.398 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 5.2 m -146.1 176.05 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.898 0.38 . . . . 0.0 111.208 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 71.65 8.35 6.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.572 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -80.54 -11.18 59.69 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.682 0.277 . . . . 0.0 111.254 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.913 ' CG1' HD11 ' A' ' 146' ' ' LEU . 3.7 t -66.14 -19.09 25.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.77 0.319 . . . . 0.0 111.251 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.7 m -63.04 -14.26 45.87 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.654 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -87.34 -28.72 22.06 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.824 0.345 . . . . 0.0 110.829 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' PHE . . . . . 0.644 ' CE2' HD11 ' A' ' 128' ' ' LEU . 98.8 m-85 -97.19 121.0 38.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . 0.422 ' HG3' HG11 ' A' ' 105' ' ' VAL . 0.0 OUTLIER -72.87 97.55 2.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.063 -179.866 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.913 HD11 ' CG1' ' A' ' 141' ' ' VAL . 0.5 OUTLIER -84.78 -24.74 28.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.085 -179.844 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.745 ' HB1' ' HD2' ' A' ' 148' ' ' PRO . . . -175.74 166.68 1.78 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.129 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . 0.745 ' HD2' ' HB1' ' A' ' 147' ' ' ALA . 48.7 Cg_endo -68.89 -37.72 10.99 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.559 2.173 . . . . 0.0 112.275 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -112.98 68.03 0.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.804 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . 0.823 ' NE2' HD12 ' A' ' 146' ' ' LEU . 16.7 tt0 -73.65 122.39 22.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.982 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 2.8 t -118.49 160.6 21.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.899 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 31.3 mttt -45.5 -38.38 6.2 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.295 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -61.15 -52.85 63.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.682 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.937 ' O ' HG23 ' A' ' 158' ' ' VAL . 50.4 tp -60.84 -45.73 93.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.473 179.682 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -58.6 -54.02 51.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.716 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -53.35 -50.33 65.25 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.841 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.4 ' O ' HD12 ' A' ' 161' ' ' LEU . 7.7 tptt -57.74 -31.38 66.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.179 -179.511 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.937 HG23 ' O ' ' A' ' 154' ' ' LEU . 58.5 t -67.03 -52.75 40.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.956 0.408 . . . . 0.0 110.896 179.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 7.7 mtt -68.21 -39.0 82.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.076 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -57.11 -55.07 39.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.045 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.417 ' O ' ' CD2' ' A' ' 165' ' ' TYR . 10.2 mt -64.75 -32.41 74.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . 0.48 ' CE1' HG22 ' A' ' 124' ' ' ILE . 7.1 t-160 -60.75 -56.76 17.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.76 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . 0.429 ' HG3' ' CD2' ' A' ' 131' ' ' TYR . 3.2 tttt -73.18 -28.16 62.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.901 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 38.2 t -54.69 -22.92 15.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.458 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 165' ' ' TYR . . . . . 0.433 ' O ' ' HB2' ' A' ' 166' ' ' ARG . 18.7 m-85 -91.21 -83.1 0.28 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.643 -0.253 . . . . 0.0 110.969 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 166' ' ' ARG . . . . . 0.433 ' HB2' ' O ' ' A' ' 165' ' ' TYR . 1.6 mmm180 66.65 0.16 1.76 Allowed 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.7 31.65 2.78 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.821 0.343 . . . . 0.0 111.016 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 1.7 tpp -112.48 146.07 39.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.777 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 32.4 p -91.71 159.19 38.95 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.77 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.11 -54.2 5.44 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.415 2.077 . . . . 0.0 111.765 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -52.6 -40.19 62.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.303 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -45.5 85.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.585 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -65.83 -42.23 90.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.586 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.29 -41.79 89.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.223 0.535 . . . . 0.0 110.358 179.492 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 175' ' ' LEU . 10.9 tp -72.46 -32.31 66.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.079 179.348 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . 0.438 ' HB3' ' CD2' ' A' ' 122' ' ' TYR . 6.1 mm-40 -60.59 -54.1 49.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.908 -179.116 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . 0.522 ' CE1' HD22 ' A' ' 119' ' ' LEU . 65.1 t80 -71.48 -40.64 70.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.572 0.225 . . . . 0.0 110.831 -179.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 178' ' ' LEU . . . . . 0.689 HD11 ' HG3' ' A' ' 93' ' ' ARG . 23.5 mt -63.08 -41.88 99.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.893 0.378 . . . . 0.0 110.551 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -69.49 -32.41 71.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.914 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 180' ' ' ASN . . . . . 0.632 ' O ' HD23 ' A' ' 184' ' ' LEU . 0.8 OUTLIER -73.83 -49.97 22.64 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.46 179.614 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -66.12 -38.27 87.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.058 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 4.6 ttmt -64.67 -44.9 88.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.829 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 24.4 mtpt -77.91 -18.7 55.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.909 179.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.632 HD23 ' O ' ' A' ' 180' ' ' ASN . 0.2 OUTLIER -71.3 -13.2 61.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.312 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 4.0 p 66.21 39.25 4.27 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.874 0.369 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 186' ' ' MET . . . . . 0.603 ' SD ' HD22 ' A' ' 109' ' ' LEU . 12.2 mmm -82.51 -32.13 28.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.829 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 187' ' ' TYR . . . . . 0.463 ' CE1' HD11 ' A' ' 100' ' ' LEU . 3.0 p90 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.236 -0.887 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.186 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.4 m -176.53 -71.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.834 0.349 . . . . 0.0 110.87 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -122.47 32.02 5.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.931 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -165.64 143.87 5.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -114.55 116.65 43.5 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.802 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -73.53 -28.79 11.64 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.444 2.096 . . . . 0.0 112.425 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -94.47 -32.14 13.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.164 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 61.07 50.11 5.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.845 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.482 ' H ' HD23 ' A' ' 87' ' ' LEU . 0.6 OUTLIER -58.92 -31.98 69.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.998 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 27.8 m -55.99 -50.17 71.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.028 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.449 ' HA ' HG22 ' A' ' 92' ' ' THR . 20.6 tt0 -54.14 -30.7 50.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.621 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.48 -47.8 38.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.723 179.107 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 43.0 mm -62.63 -48.46 88.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.144 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.487 HG23 ' N ' ' A' ' 93' ' ' ARG . 11.9 t -58.4 -51.75 68.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.315 -179.428 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.487 ' N ' HG23 ' A' ' 92' ' ' THR . 1.9 ttt180 -54.4 -47.28 72.92 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 111.632 0.234 . . . . 0.0 111.632 -178.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -55.25 -53.86 50.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.929 0.395 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -66.88 -28.25 68.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.201 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.56 ' O ' HD12 ' A' ' 100' ' ' LEU . 5.9 tp -67.99 -55.29 13.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.936 0.398 . . . . 0.0 110.675 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 4.0 m -56.01 -44.54 78.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.812 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 46.6 mt -57.24 -45.24 84.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.065 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.419 ' HA ' ' HG2' ' A' ' 102' ' ' GLN . 0.0 OUTLIER -62.21 -45.15 94.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.236 -179.881 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.56 HD12 ' O ' ' A' ' 96' ' ' LEU . 3.6 mp -70.0 -36.09 74.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.309 -179.64 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.657 ' O ' HG22 ' A' ' 105' ' ' VAL . 0.0 OUTLIER -73.51 -33.61 64.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.471 -179.57 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.419 ' HG2' ' HA ' ' A' ' 99' ' ' GLN . 5.2 pt20 -71.88 -37.83 70.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.804 0.335 . . . . 0.0 110.802 179.587 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.83 -46.99 61.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.175 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.452 HD12 ' O ' ' A' ' 100' ' ' LEU . 27.2 mt -59.73 -52.78 57.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.399 -179.661 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.657 HG22 ' O ' ' A' ' 101' ' ' ARG . 28.0 m -59.57 -32.26 48.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.737 0.303 . . . . 0.0 111.428 -179.708 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.36 -3.18 41.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.582 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 69.96 28.26 72.02 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.459 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.21 1.74 39.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.559 0.219 . . . . 0.0 111.411 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -152.52 117.88 2.99 Favored Pre-proline 0 C--N 1.332 -0.187 0 CA-C-O 120.548 0.213 . . . . 0.0 110.739 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.82 126.56 22.89 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.424 2.083 . . . . 0.0 112.401 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 93.1 m -140.82 168.3 20.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.75 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.1 t -102.08 167.22 10.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.11 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.411 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 18.9 t80 -60.66 -50.24 74.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.859 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.35 -42.15 77.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.591 -179.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.52 HG22 ' CD1' ' A' ' 119' ' ' LEU . 93.0 m -71.22 -37.65 72.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.88 0.371 . . . . 0.0 110.34 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 17.8 mt -59.95 -45.35 92.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.086 179.334 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.99 -34.15 64.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.57 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 8.0 tt -69.71 -52.04 29.01 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.841 0.353 . . . . 0.0 110.923 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.52 ' CD1' HG22 ' A' ' 115' ' ' THR . 58.1 mt -65.11 -33.88 77.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.104 0.478 . . . . 0.0 110.203 179.541 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.437 ' O ' HG12 ' A' ' 124' ' ' ILE . . . -71.14 -50.49 22.26 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.731 -0.747 . . . . 0.0 111.647 179.122 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.402 ' OG ' ' HB2' ' A' ' 161' ' ' LEU . 41.7 m -56.43 -32.43 64.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.728 0.299 . . . . 0.0 111.118 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -71.36 -46.12 61.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.852 0.358 . . . . 0.0 110.352 179.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 72.1 m -60.16 -37.76 81.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.566 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.621 HD11 HD21 ' A' ' 146' ' ' LEU . 28.0 mm -62.91 -49.17 84.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.109 179.349 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -56.33 -40.63 74.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.668 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.87 -24.38 44.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.712 -179.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.83 -41.86 20.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.946 0.403 . . . . 0.0 111.492 -178.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.604 ' CD1' HG23 ' A' ' 124' ' ' ILE . 1.1 mp -113.66 1.46 14.92 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.313 -178.098 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 68.86 -153.8 53.06 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.451 -0.881 . . . . 0.0 112.286 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -57.24 141.32 46.99 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.818 0.342 . . . . 0.0 110.941 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . 0.428 ' CD2' ' HG3' ' A' ' 163' ' ' LYS . 71.5 t80 -58.74 145.35 40.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -146.33 94.42 4.85 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . 0.416 ' HD3' ' CD2' ' A' ' 131' ' ' TYR . 46.4 Cg_endo -68.64 -27.75 32.0 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.485 2.123 . . . . 0.0 112.304 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -64.27 -31.39 72.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 38.7 mt -100.62 -39.75 7.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.826 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 20.2 m80 -83.84 -177.81 6.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.827 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -129.19 -93.93 0.73 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.583 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 10.9 m -154.19 -43.57 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.769 0.319 . . . . 0.0 111.232 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -95.92 33.21 1.73 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.076 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 43.5 p90 -75.65 -35.19 60.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.753 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.79 HG12 HD11 ' A' ' 146' ' ' LEU . 37.1 t -58.49 -22.1 19.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.063 179.696 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.6 m -65.4 -14.27 60.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.375 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -83.96 -26.5 29.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.717 0.294 . . . . 0.0 111.021 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' PHE . . . . . 0.467 ' CE2' HD21 ' A' ' 128' ' ' LEU . 99.2 m-85 -101.81 129.08 47.93 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.107 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . 0.619 ' O ' HG11 ' A' ' 105' ' ' VAL . 4.9 mtmp? -81.49 95.1 6.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.137 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.79 HD11 HG12 ' A' ' 141' ' ' VAL . 0.3 OUTLIER -89.46 -20.2 24.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.227 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.58 ' HB1' ' HD2' ' A' ' 148' ' ' PRO . . . -166.3 162.14 12.14 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.11 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . 0.58 ' HD2' ' HB1' ' A' ' 147' ' ' ALA . 50.3 Cg_endo -69.66 -48.56 0.71 Allowed 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.509 2.139 . . . . 0.0 112.327 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -104.19 70.61 0.98 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.714 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . 0.669 ' NE2' HD12 ' A' ' 146' ' ' LEU . 7.4 tt0 -71.28 118.01 13.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.283 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 5.1 t -116.03 162.03 17.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.647 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -44.82 -44.18 9.26 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.211 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . 0.411 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 1.2 mm-40 -57.01 -48.24 78.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.91 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.942 ' O ' HG23 ' A' ' 158' ' ' VAL . 60.2 tp -67.7 -36.8 81.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.391 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -62.47 -53.95 47.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.606 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -57.6 -48.49 79.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.912 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.48 -34.19 68.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.304 -179.15 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.942 HG23 ' O ' ' A' ' 154' ' ' LEU . 88.2 t -67.09 -48.52 78.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.874 0.369 . . . . 0.0 110.848 179.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 14.2 mtt -68.47 -42.63 78.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.308 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.15 -55.29 36.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.267 -179.524 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.402 ' HB2' ' OG ' ' A' ' 121' ' ' SER . 71.0 mt -64.26 -36.91 85.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.889 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . 0.411 ' CE1' HG22 ' A' ' 124' ' ' ILE . 18.2 t-160 -57.03 -52.95 63.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.668 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . 0.428 ' HG3' ' CD2' ' A' ' 131' ' ' TYR . 12.1 tttt -74.09 -26.46 60.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.737 179.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 29.8 m -57.82 -25.59 60.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.191 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 165' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -92.0 134.7 34.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.81 0.338 . . . . 0.0 110.849 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 166' ' ' ARG . . . . . 0.409 ' O ' ' CB ' ' A' ' 167' ' ' SER . 4.9 mmt180 -150.44 131.04 13.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . 0.409 ' CB ' ' O ' ' A' ' 166' ' ' ARG . 0.2 OUTLIER 79.63 40.51 0.09 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.881 -179.767 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 1.7 ttp -119.68 147.64 44.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.469 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . 0.471 ' HB ' ' HD2' ' A' ' 170' ' ' PRO . 17.0 p -98.62 156.92 35.12 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.692 0.282 . . . . 0.0 110.791 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . 0.471 ' HD2' ' HB ' ' A' ' 169' ' ' THR . 9.0 Cg_endo -50.32 -48.46 19.98 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.728 2.286 . . . . 0.0 112.264 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -49.16 -40.98 34.98 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.234 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -44.21 95.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.675 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -67.4 -45.15 77.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.748 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.28 -40.92 78.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.619 179.592 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . 0.452 ' HG ' ' HG3' ' A' ' 179' ' ' GLU . 10.9 tp -72.28 -36.45 68.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.245 179.609 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -57.62 -54.28 48.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.077 -0.51 . . . . 0.0 112.1 -179.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . 0.439 ' CD2' HD22 ' A' ' 119' ' ' LEU . 12.1 t80 -71.26 -43.81 66.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.603 0.239 . . . . 0.0 110.898 -179.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 178' ' ' LEU . . . . . 0.486 HD11 ' HG3' ' A' ' 93' ' ' ARG . 20.4 mt -59.47 -42.09 91.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.831 0.348 . . . . 0.0 110.756 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . 0.452 ' HG3' ' HG ' ' A' ' 175' ' ' LEU . 2.4 mt-10 -69.5 -32.55 71.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.805 179.61 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 180' ' ' ASN . . . . . 0.813 ' O ' HD12 ' A' ' 184' ' ' LEU . 1.0 OUTLIER -70.83 -50.0 40.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.208 179.348 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -62.92 -37.86 88.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.081 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.91 -36.23 81.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.526 179.731 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.57 -18.38 64.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.0 179.686 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.813 HD12 ' O ' ' A' ' 180' ' ' ASN . 1.0 OUTLIER -107.89 -4.45 17.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.788 -179.42 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.16 81.9 0.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.861 0.362 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 16.8 mmm -108.63 -30.06 8.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 187' ' ' TYR . . . . . 0.433 ' CD1' ' N ' ' A' ' 187' ' ' TYR . 2.2 p90 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.161 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 44.1 m -147.74 134.64 20.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.799 0.333 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -150.29 -47.01 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.917 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 37.3 mtp -127.74 174.56 9.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.924 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -101.67 106.64 47.76 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -68.53 -10.93 30.48 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.421 2.081 . . . . 0.0 112.655 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.425 ' HB3' HD23 ' A' ' 87' ' ' LEU . . . -55.98 -39.76 72.3 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.777 0.323 . . . . 0.0 111.235 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 59.56 32.16 21.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.574 ' H ' HD23 ' A' ' 87' ' ' LEU . 0.5 OUTLIER -68.3 -22.84 64.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.63 -51.46 69.42 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.06 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.487 ' HA ' HG22 ' A' ' 92' ' ' THR . 2.8 mt-10 -57.4 -32.2 66.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.941 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -72.58 -48.64 38.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.183 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 14.8 mt -66.81 -44.64 89.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.271 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.487 HG22 ' HA ' ' A' ' 89' ' ' GLU . 10.2 t -58.38 -52.05 67.26 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.524 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.526 ' CG ' HD11 ' A' ' 178' ' ' LEU . 7.0 ttm105 -54.75 -45.79 74.24 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-O 120.715 0.293 . . . . 0.0 110.942 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -52.42 -59.13 4.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.915 0.388 . . . . 0.0 110.823 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -59.87 -43.99 94.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.694 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.4 tp -51.55 -55.42 19.19 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 2.9 t -56.41 -41.06 75.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.743 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 29.1 mt -62.74 -32.72 73.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.427 ' HA ' ' HG2' ' A' ' 102' ' ' GLN . 0.0 OUTLIER -72.61 -43.63 63.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.511 HD11 ' CE2' ' A' ' 187' ' ' TYR . 7.3 mt -69.98 -35.18 74.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.038 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.475 ' O ' HG22 ' A' ' 105' ' ' VAL . 0.0 OUTLIER -72.97 -35.25 66.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.442 -179.577 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.427 ' HG2' ' HA ' ' A' ' 99' ' ' GLN . 11.7 pt20 -71.79 -37.07 70.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.843 0.354 . . . . 0.0 110.922 179.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -70.88 -46.02 63.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.214 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.453 HD12 ' O ' ' A' ' 100' ' ' LEU . 27.0 mt -60.37 -53.28 51.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.356 -179.689 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.726 HG11 ' O ' ' A' ' 145' ' ' LYS . 34.6 m -58.6 -32.16 45.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.513 -179.66 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -79.93 -2.16 42.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.58 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 69.66 29.78 71.11 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.363 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 1.9 mtm180 -82.83 1.62 38.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.539 0.209 . . . . 0.0 111.437 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -153.88 134.73 8.36 Favored Pre-proline 0 C--N 1.332 -0.177 0 CA-C-N 116.73 -0.214 . . . . 0.0 110.589 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.04 123.0 9.58 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.401 2.068 . . . . 0.0 112.462 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -140.56 168.25 20.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.653 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.33 163.15 12.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.053 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.413 ' CZ ' ' HA ' ' A' ' 154' ' ' LEU . 16.5 t80 -57.91 -45.08 87.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.831 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.22 -43.81 78.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.681 -179.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 99.3 m -70.05 -38.01 75.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.904 0.383 . . . . 0.0 110.365 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' ' 116' ' ' LEU . 18.9 mt -59.84 -45.9 90.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.118 179.429 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.25 -34.43 65.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.539 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 7.4 tt -69.54 -52.03 30.11 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.841 0.353 . . . . 0.0 110.896 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.72 HD21 ' HB3' ' A' ' 180' ' ' ASN . 91.1 mt -64.07 -34.65 78.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.074 0.464 . . . . 0.0 110.434 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.402 ' O ' HG12 ' A' ' 124' ' ' ILE . . . -71.35 -50.92 19.29 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.732 -0.747 . . . . 0.0 111.904 179.191 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 19.1 m -55.25 -34.44 64.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.651 0.262 . . . . 0.0 111.491 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.427 ' CE2' ' HB3' ' A' ' 176' ' ' GLU . 9.7 m-85 -73.29 -44.72 58.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.797 0.332 . . . . 0.0 110.71 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 69.4 m -62.36 -38.05 88.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.594 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.555 HG23 HD12 ' A' ' 128' ' ' LEU . 23.9 mm -64.14 -49.25 82.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.594 179.557 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . 0.412 ' O ' ' CA ' ' A' ' 129' ' ' GLY . 2.8 tp60 -59.9 -36.81 77.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.87 -29.24 44.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.235 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -78.6 -39.89 36.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.305 -179.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.555 HD12 HG23 ' A' ' 124' ' ' ILE . 1.5 mt -110.93 -0.2 16.87 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.077 -178.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . 0.412 ' CA ' ' O ' ' A' ' 125' ' ' GLN . . . 69.32 -155.29 53.45 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.552 -0.833 . . . . 0.0 112.421 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -62.01 153.22 30.18 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.816 0.341 . . . . 0.0 110.807 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . 0.449 ' CD1' ' HG2' ' A' ' 163' ' ' LYS . 78.2 t80 -64.79 162.67 15.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.95 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -136.32 90.48 17.78 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.976 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -67.19 -33.89 29.68 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.791 2.327 . . . . 0.0 112.383 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -77.06 -35.95 56.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.244 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 39.1 mt -75.74 -15.17 60.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.389 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 14.5 m170 64.69 141.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.909 0.385 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . 0.415 ' O ' ' CE2' ' A' ' 140' ' ' TYR . . . 152.34 114.2 0.58 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.314 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 23.7 m -137.72 -27.17 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -94.0 26.41 3.23 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.722 -0.217 . . . . 0.0 111.54 -179.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . 0.415 ' CE2' ' O ' ' A' ' 137' ' ' GLY . 0.2 OUTLIER -83.33 -10.82 58.26 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.632 0.253 . . . . 0.0 111.209 179.729 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.567 HG21 ' HG3' ' A' ' 159' ' ' MET . 13.3 t -69.28 -30.69 46.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.872 0.367 . . . . 0.0 110.906 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 42.0 t -65.82 -14.31 61.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.428 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -85.23 -30.61 23.71 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.868 0.366 . . . . 0.0 110.787 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' PHE . . . . . 0.516 ' CE2' HD11 ' A' ' 128' ' ' LEU . 95.4 m-85 -97.01 125.38 41.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.843 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . 0.726 ' O ' HG11 ' A' ' 105' ' ' VAL . 4.4 mtmp? -78.25 96.97 5.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.439 ' C ' HG12 ' A' ' 105' ' ' VAL . 1.0 OUTLIER -97.95 -23.6 15.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.104 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -157.65 153.73 23.51 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.236 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.85 -50.0 1.3 Allowed 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.563 2.175 . . . . 0.0 112.324 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -105.5 66.7 0.75 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.543 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . 0.421 ' HG3' HD23 ' A' ' 154' ' ' LEU . 15.3 tt0 -59.23 123.3 16.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.209 -179.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 2.8 p -112.57 149.55 32.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.607 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.76 -39.33 5.12 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.915 0.388 . . . . 0.0 110.666 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -63.87 -41.19 97.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.491 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.933 ' O ' HG23 ' A' ' 158' ' ' VAL . 51.5 tp -70.28 -45.96 65.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.07 0.462 . . . . 0.0 109.994 179.28 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -58.75 -53.74 54.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.457 179.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -54.28 -50.48 67.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.826 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 14.9 tptt -57.52 -30.15 64.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.928 -179.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.933 HG23 ' O ' ' A' ' 154' ' ' LEU . 62.6 t -67.04 -50.43 64.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.0 0.428 . . . . 0.0 110.526 179.392 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' MET . . . . . 0.567 ' HG3' HG21 ' A' ' 141' ' ' VAL . 7.9 mtt -68.35 -40.52 81.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.94 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -57.03 -55.3 36.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.052 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 15.0 mt -62.03 -34.81 76.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.811 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . 0.457 ' CE1' HG22 ' A' ' 124' ' ' ILE . 7.8 t-160 -56.69 -55.67 31.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.753 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . 0.449 ' HG2' ' CD1' ' A' ' 131' ' ' TYR . 28.2 mttt -72.85 -27.31 61.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.98 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 19.5 p -62.01 -25.08 67.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.204 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 165' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -91.21 137.37 32.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.86 0.362 . . . . 0.0 110.953 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.54 139.07 14.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.807 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 76.63 37.99 0.29 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.78 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 3.5 ttp -121.57 149.76 42.67 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.417 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . 0.402 ' CB ' ' HD2' ' A' ' 170' ' ' PRO . 0.5 OUTLIER -99.7 165.73 14.14 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 120.642 0.258 . . . . 0.0 110.867 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . 0.402 ' HD2' ' CB ' ' A' ' 169' ' ' THR . 19.0 Cg_endo -58.92 -45.57 27.85 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.566 2.177 . . . . 0.0 112.152 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -51.74 -43.08 62.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.273 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.91 -46.95 84.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.727 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -65.55 -44.57 86.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.669 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -57.29 -39.48 75.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.291 0.567 . . . . 0.0 110.526 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 12.8 tp -72.64 -33.28 66.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.266 179.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . 0.427 ' HB3' ' CE2' ' A' ' 122' ' ' TYR . 50.1 mm-40 -61.39 -54.54 42.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 112.027 -178.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . 0.514 ' CD2' HD22 ' A' ' 119' ' ' LEU . 15.1 t80 -68.76 -45.74 70.62 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.628 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 178' ' ' LEU . . . . . 0.526 HD11 ' CG ' ' A' ' 93' ' ' ARG . 34.7 mt -59.98 -38.59 82.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.882 0.372 . . . . 0.0 110.431 179.664 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -67.68 -33.34 74.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.833 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 180' ' ' ASN . . . . . 0.787 ' O ' HD12 ' A' ' 184' ' ' LEU . 0.6 OUTLIER -71.2 -49.66 41.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.183 179.476 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -60.97 -38.55 86.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.712 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.41 -35.05 78.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.772 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.02 -19.73 65.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.949 179.582 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.787 HD12 ' O ' ' A' ' 180' ' ' ASN . 1.2 mp -104.07 14.1 31.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.762 -179.417 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 6.3 m 53.26 32.7 13.96 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.823 0.344 . . . . 0.0 111.219 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 186' ' ' MET . . . . . 0.495 ' HB3' HD21 ' A' ' 100' ' ' LEU . 6.2 mmm -64.35 -33.75 76.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.84 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 187' ' ' TYR . . . . . 0.511 ' CE2' HD11 ' A' ' 100' ' ' LEU . 35.5 m-85 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.917 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.192 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.2 m 60.39 99.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.772 0.32 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 41.8 m80 -157.74 33.64 0.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 21.6 mmt 62.01 121.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.004 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -76.3 125.13 88.11 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.846 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -73.49 -9.58 23.01 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.451 2.1 . . . . 0.0 112.646 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.6 ' O ' HG23 ' A' ' 88' ' ' THR . . . -93.09 17.04 11.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.551 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.87 -21.72 64.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.849 0.357 . . . . 0.0 110.91 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -104.89 17.77 23.55 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.211 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.6 HG23 ' O ' ' A' ' 85' ' ' ALA . 16.1 p -52.85 -49.01 66.62 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.763 0.316 . . . . 0.0 111.105 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.434 ' O ' ' HB2' ' A' ' 93' ' ' ARG . 2.7 pt-20 -51.8 -43.24 63.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.953 0.406 . . . . 0.0 110.893 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.93 -46.73 88.46 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.221 179.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 48.1 mm -60.75 -47.59 92.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.799 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.432 HG22 ' O ' ' A' ' 89' ' ' GLU . 10.1 t -67.01 -48.84 67.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.543 -0.298 . . . . 0.0 111.016 -179.603 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.685 ' CG ' HD11 ' A' ' 178' ' ' LEU . 3.6 ttp180 -54.41 -50.03 68.55 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.299 -179.127 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -57.28 -52.96 63.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.958 0.409 . . . . 0.0 110.739 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.475 ' HA ' HD12 ' A' ' 98' ' ' LEU . 14.6 m-85 -61.94 -28.42 69.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.959 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 96' ' ' LEU . 5.9 tp -66.16 -55.22 17.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 75.1 m -57.23 -40.28 77.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.475 HD12 ' HA ' ' A' ' 95' ' ' TYR . 30.1 mt -59.48 -50.98 71.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -66.01 -46.4 78.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.004 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.553 HD11 ' CE1' ' A' ' 187' ' ' TYR . 2.8 mt -59.72 -46.44 89.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.546 ' HA ' HD12 ' A' ' 104' ' ' ILE . 4.6 tmm_? -66.39 -28.46 68.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.159 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.15 -39.43 71.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -70.68 -39.82 73.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.546 HD12 ' HA ' ' A' ' 101' ' ' ARG . 14.7 mt -64.13 -52.12 60.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.229 -179.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 27.3 m -58.07 -32.35 43.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.561 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -82.83 -3.71 57.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.54 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 69.08 32.85 73.27 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.297 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -84.62 2.65 40.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.533 0.206 . . . . 0.0 111.392 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.1 tt -156.62 118.78 2.2 Favored Pre-proline 0 C--N 1.332 -0.171 0 CA-C-O 120.537 0.208 . . . . 0.0 110.711 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.87 129.44 35.22 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.462 2.108 . . . . 0.0 112.422 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 61.1 m -141.92 157.58 44.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.704 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 17.7 p -88.76 160.47 17.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.035 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -58.56 -49.76 76.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.852 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.39 -39.49 73.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.493 -179.165 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.459 HG22 ' CD1' ' A' ' 119' ' ' LEU . 92.1 m -71.91 -40.03 69.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.881 0.372 . . . . 0.0 110.347 179.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 116' ' ' LEU . 19.7 mt -58.74 -47.11 85.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.287 179.495 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.548 ' HB1' ' HB3' ' A' ' 157' ' ' LYS . . . -71.43 -35.9 71.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.461 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 9.0 tt -67.18 -51.81 49.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.917 0.389 . . . . 0.0 110.844 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.677 HD22 ' CD2' ' A' ' 177' ' ' PHE . 54.0 mt -62.2 -33.77 75.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.187 179.491 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.412 ' O ' HG12 ' A' ' 124' ' ' ILE . . . -71.32 -51.8 15.84 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.216 179.267 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 14.1 m -53.68 -36.42 62.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.645 0.26 . . . . 0.0 111.436 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.453 ' CG ' ' OE2' ' A' ' 176' ' ' GLU . 26.0 m-85 -72.69 -44.7 61.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.724 0.297 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 18.2 m -58.84 -41.03 85.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.887 0.375 . . . . 0.0 110.373 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.546 HG23 ' CD1' ' A' ' 128' ' ' LEU . 23.1 mm -62.39 -47.69 91.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.261 179.232 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -57.76 -38.15 74.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.64 179.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 21.6 t -78.81 -24.62 44.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.194 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.91 -40.64 24.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.335 -179.088 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.546 ' CD1' HG23 ' A' ' 124' ' ' ILE . 1.5 mp -114.74 1.41 14.14 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.351 -178.078 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 80.92 -102.42 2.14 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.565 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -110.12 -178.32 3.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.853 0.358 . . . . 0.0 110.862 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -74.07 122.47 22.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.81 90.61 36.83 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.848 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -73.55 -19.38 21.72 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.575 2.183 . . . . 0.0 112.587 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -67.41 -42.82 82.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.025 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 60.4 mt -81.62 -45.46 15.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.032 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 16.1 m80 -161.65 170.31 19.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . 0.46 ' O ' HG13 ' A' ' 138' ' ' VAL . . . 166.63 52.13 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.605 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.46 HG13 ' O ' ' A' ' 137' ' ' GLY . 10.5 m -157.16 -48.06 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.766 0.317 . . . . 0.0 111.325 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . 0.45 ' N ' HG23 ' A' ' 138' ' ' VAL . 0.3 OUTLIER -146.08 36.26 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.07 -179.869 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . 0.414 ' CZ ' ' HG2' ' A' ' 159' ' ' MET . 48.8 p90 -75.52 -34.67 60.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.837 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.89 ' CG1' HD11 ' A' ' 146' ' ' LEU . 25.5 t -62.35 -19.38 22.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.221 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.1 m -63.98 -14.15 51.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.621 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.51 -28.34 22.08 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.777 0.322 . . . . 0.0 110.89 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -94.29 128.5 40.82 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.992 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 15.3 mtmt -83.0 93.36 7.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.013 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.89 HD11 ' CG1' ' A' ' 141' ' ' VAL . 2.9 mt -87.44 -19.83 27.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.255 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.63 ' HB1' ' HD2' ' A' ' 148' ' ' PRO . . . -171.24 163.04 5.18 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 120.745 0.307 . . . . 0.0 111.181 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . 0.63 ' HD2' ' HB1' ' A' ' 147' ' ' ALA . 43.8 Cg_endo -68.14 -46.63 2.12 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.57 2.18 . . . . 0.0 112.195 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 -104.78 70.49 0.93 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.789 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -75.7 118.77 18.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.026 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 1.9 t -115.79 161.5 18.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.741 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 153' ' ' GLU . 0.1 OUTLIER -44.9 -39.22 5.23 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.242 -179.849 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . 0.402 ' N ' ' HG3' ' A' ' 152' ' ' LYS . 4.8 mm-40 -60.4 -49.31 78.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.697 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.931 ' O ' HG23 ' A' ' 158' ' ' VAL . 41.4 tp -64.23 -43.57 94.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.386 179.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -60.01 -54.02 50.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.636 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -53.54 -51.34 63.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.548 ' HB3' ' HB1' ' A' ' 117' ' ' ALA . 2.2 tptm -57.47 -31.8 66.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.082 -179.243 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.931 HG23 ' O ' ' A' ' 154' ' ' LEU . 93.3 t -67.09 -51.41 54.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.836 0.35 . . . . 0.0 110.887 179.589 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' MET . . . . . 0.414 ' HG2' ' CZ ' ' A' ' 140' ' ' TYR . 8.8 mtt -68.16 -41.46 81.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.113 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -59.41 -53.63 55.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 26.3 mt -61.23 -37.85 84.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . 0.489 ' CE1' HG22 ' A' ' 124' ' ' ILE . 9.2 t-160 -56.8 -56.6 19.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.699 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.86 -26.79 63.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.762 179.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 47.2 t -60.61 -26.6 67.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.143 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 165' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -93.7 137.77 32.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.881 0.372 . . . . 0.0 110.92 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.19 136.83 14.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 78.39 38.84 0.16 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 1.7 ttp -121.46 147.47 45.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.565 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . 0.448 ' HB ' ' HD2' ' A' ' 170' ' ' PRO . 40.2 p -99.16 157.64 33.69 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.722 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . 0.448 ' HD2' ' HB ' ' A' ' 169' ' ' THR . 10.2 Cg_endo -51.44 -47.52 25.69 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.639 2.226 . . . . 0.0 112.135 179.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -49.07 -42.9 40.28 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.434 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.09 -42.13 84.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.873 0.368 . . . . 0.0 110.462 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . 0.461 ' O ' ' HG3' ' A' ' 176' ' ' GLU . . . -71.06 -34.24 71.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.471 179.507 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 174' ' ' ASP . . . . . 0.557 ' O ' HD12 ' A' ' 178' ' ' LEU . 0.7 OUTLIER -67.1 -44.77 79.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.348 179.38 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 175' ' ' LEU . 14.2 tp -72.31 -43.86 63.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.199 -0.909 . . . . 0.0 112.246 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 173' ' ' ALA . 3.0 pp20? -60.17 -49.09 79.01 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -178.368 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . 0.677 ' CD2' HD22 ' A' ' 119' ' ' LEU . 5.5 t80 -71.14 -45.38 63.67 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.474 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 178' ' ' LEU . . . . . 0.685 HD11 ' CG ' ' A' ' 93' ' ' ARG . 59.0 mt -59.83 -37.98 80.72 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.004 0.431 . . . . 0.0 110.14 179.332 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.39 -32.04 70.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.546 179.326 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 180' ' ' ASN . . . . . 0.402 ' O ' ' HG ' ' A' ' 184' ' ' LEU . 5.0 m-80 -71.27 -49.88 38.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.001 179.145 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -61.46 -37.48 83.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.822 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.45 -38.67 87.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.781 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 11.7 mtpt -77.85 -20.92 52.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.176 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 180' ' ' ASN . 1.3 mt -88.96 -5.93 57.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.349 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 5.0 t 62.54 32.34 16.56 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.861 0.362 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 14.7 mmm -64.92 -37.72 88.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 187' ' ' TYR . . . . . 0.553 ' CE1' HD11 ' A' ' 100' ' ' LEU . 4.7 p90 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.171 -0.919 . . . . 0.0 110.928 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.2 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.2 m 60.29 176.73 0.09 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.765 0.317 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 60.01 31.27 20.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.841 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.17 151.07 41.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.934 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -79.3 157.98 74.76 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -67.5 -24.48 42.34 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.573 2.182 . . . . 0.0 112.291 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -79.59 -51.26 9.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.121 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 58.8 39.51 24.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.819 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.515 ' H ' HD23 ' A' ' 87' ' ' LEU . 0.4 OUTLIER -63.66 -33.69 76.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.136 -179.882 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 72.9 p -54.55 -51.85 63.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.107 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.473 ' HA ' HG22 ' A' ' 92' ' ' THR . 3.0 tt0 -54.49 -29.99 51.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.966 0.412 . . . . 0.0 110.621 179.733 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.52 -48.01 29.61 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 44.7 mm -60.69 -46.28 96.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.877 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.483 HG23 ' N ' ' A' ' 93' ' ' ARG . 7.5 t -63.98 -52.66 58.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.872 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.483 ' N ' HG23 ' A' ' 92' ' ' THR . 1.6 tmm_? -54.65 -51.14 66.37 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-O 120.621 0.248 . . . . 0.0 111.443 -179.283 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -52.06 -55.97 17.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.865 0.364 . . . . 0.0 111.042 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -60.6 -43.19 97.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.824 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.417 HD21 ' CE2' ' A' ' 187' ' ' TYR . 5.4 tp -51.79 -55.5 19.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.1 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 57.3 m -56.54 -43.46 79.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.877 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 43.7 mt -59.93 -46.97 87.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -65.0 -48.6 73.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.941 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.453 HD11 ' CD1' ' A' ' 187' ' ' TYR . 5.2 mt -57.94 -49.77 75.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.866 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.565 ' O ' HG22 ' A' ' 105' ' ' VAL . 0.0 OUTLIER -62.75 -28.78 70.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.988 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -71.24 -40.26 71.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.841 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -70.81 -40.89 72.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.092 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.563 HD12 ' HA ' ' A' ' 101' ' ' ARG . 10.4 mt -63.82 -53.36 45.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.2 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.565 HG22 ' O ' ' A' ' 101' ' ' ARG . 27.2 m -58.86 -32.47 47.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.318 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -84.0 -1.16 54.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.56 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 68.7 29.43 72.74 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.505 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.05 -0.08 42.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.558 0.218 . . . . 0.0 111.402 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.665 HD23 ' HD2' ' A' ' 110' ' ' PRO . 4.7 mt -149.59 136.96 11.27 Favored Pre-proline 0 C--N 1.332 -0.186 0 CA-C-O 120.628 0.251 . . . . 0.0 110.684 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.665 ' HD2' HD23 ' A' ' 109' ' ' LEU . 61.4 Cg_endo -73.18 120.49 6.6 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.505 2.137 . . . . 0.0 112.256 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 53.4 m -138.97 168.25 20.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.71 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 58.5 m -102.21 160.87 14.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.019 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -54.45 -46.78 73.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.043 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.03 -49.15 74.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.693 -178.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.568 HG22 HD11 ' A' ' 119' ' ' LEU . 80.9 m -63.97 -41.29 97.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.786 0.327 . . . . 0.0 110.561 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 47.6 mt -56.96 -49.7 74.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.08 0.467 . . . . 0.0 110.142 179.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.471 ' HB1' ' HB3' ' A' ' 157' ' ' LYS . . . -67.29 -35.86 80.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.417 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.418 ' HG ' ' CE2' ' A' ' 122' ' ' TYR . 7.4 tt -67.11 -51.97 47.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.886 0.374 . . . . 0.0 110.99 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.72 HD22 ' CD2' ' A' ' 177' ' ' PHE . 17.7 mt -59.92 -33.9 72.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.49 179.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -71.34 -50.81 19.85 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.173 179.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 8.9 m -53.5 -36.9 62.21 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 111.692 0.256 . . . . 0.0 111.692 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.46 ' CE2' ' HB3' ' A' ' 176' ' ' GLU . 23.1 m-85 -74.38 -44.65 51.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.743 0.306 . . . . 0.0 111.023 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 90.3 m -60.47 -43.56 96.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.487 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.51 HG23 HD12 ' A' ' 128' ' ' LEU . 17.6 mm -61.26 -48.64 88.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.258 179.335 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . 0.423 ' HA ' ' CE1' ' A' ' 162' ' ' HIS . 3.0 tm0? -58.54 -38.32 77.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.996 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 29.8 t -78.66 -25.56 44.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.377 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -81.02 -43.82 19.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.282 -179.277 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.51 HD12 HG23 ' A' ' 124' ' ' ILE . 1.1 mt -108.5 0.56 20.99 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.074 -0.512 . . . . 0.0 112.126 -178.563 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 80.1 -100.76 1.91 Allowed Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.347 -0.93 . . . . 0.0 112.737 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -108.8 175.87 5.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.879 0.371 . . . . 0.0 111.125 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . 0.435 ' CG ' ' HG3' ' A' ' 163' ' ' LYS . 2.2 t80 -99.0 104.5 16.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.91 91.79 43.67 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.826 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -63.26 -30.3 73.82 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.605 2.203 . . . . 0.0 112.206 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -63.34 -31.53 72.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.027 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 49.3 mt -82.17 -45.46 15.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.975 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -112.56 -77.65 0.58 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.953 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . 0.492 ' O ' HG13 ' A' ' 138' ' ' VAL . . . 153.89 -111.8 0.5 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.483 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.492 HG13 ' O ' ' A' ' 137' ' ' GLY . 14.6 m -158.13 160.17 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.9 0.381 . . . . 0.0 111.186 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 3.1 t0 64.02 26.55 14.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.168 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -85.52 1.81 47.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.414 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.843 ' CG1' HD11 ' A' ' 146' ' ' LEU . 2.7 t -74.42 -6.95 9.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.627 -0.26 . . . . 0.0 111.471 -179.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.63 -14.26 29.32 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.677 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -90.27 -27.79 19.22 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.843 0.354 . . . . 0.0 110.724 179.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -93.95 121.16 35.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 12.3 mttm -74.27 94.59 2.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.096 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.945 HD13 HG21 ' A' ' 158' ' ' VAL . 3.9 mt -82.76 -24.1 33.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.989 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.716 ' HB1' ' HD2' ' A' ' 148' ' ' PRO . . . -175.86 165.98 1.81 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.968 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . 0.716 ' HD2' ' HB1' ' A' ' 147' ' ' ALA . 31.4 Cg_endo -63.97 -49.28 4.08 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.499 2.133 . . . . 0.0 112.222 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -104.6 69.8 0.91 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.789 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -75.49 121.78 22.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.02 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 4.9 p -120.43 165.94 14.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.827 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 20.9 mttt -49.04 -33.67 11.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.662 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -63.76 -56.16 17.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.531 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.919 ' O ' HG23 ' A' ' 158' ' ' VAL . 40.6 tp -59.42 -46.46 88.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.337 179.498 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -58.0 -54.2 49.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.539 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -53.14 -49.23 67.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.826 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.471 ' HB3' ' HB1' ' A' ' 117' ' ' ALA . 10.7 tptt -57.84 -31.1 66.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 -179.646 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.945 HG21 HD13 ' A' ' 146' ' ' LEU . 44.2 t -66.76 -50.6 64.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.901 0.382 . . . . 0.0 110.72 179.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 9.9 mtt -68.33 -37.82 80.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.984 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.96 -55.31 34.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.15 -179.697 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 11.8 mt -61.17 -36.44 79.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . 0.45 ' CE1' HG22 ' A' ' 124' ' ' ILE . 3.5 t-160 -55.76 -50.35 70.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.047 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . 0.435 ' HG3' ' CG ' ' A' ' 131' ' ' TYR . 9.5 mtpt -81.38 -22.68 38.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.165 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 25.2 p -58.21 -25.96 62.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.232 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 165' ' ' TYR . . . . . 0.427 ' HB3' ' HB2' ' A' ' 168' ' ' MET . 9.8 m-85 -73.38 117.3 14.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.819 0.342 . . . . 0.0 110.976 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 166' ' ' ARG . . . . . 0.544 ' O ' ' CB ' ' A' ' 167' ' ' SER . 15.6 mtp-105 -76.81 49.99 0.67 Allowed 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -179.152 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . 0.544 ' CB ' ' O ' ' A' ' 166' ' ' ARG . 1.4 t 95.33 63.4 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.194 0.521 . . . . 0.0 111.103 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 168' ' ' MET . . . . . 0.427 ' HB2' ' HB3' ' A' ' 165' ' ' TYR . 50.3 ttm -82.91 152.86 25.35 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.283 179.155 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -105.0 163.21 17.63 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.805 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -52.77 -52.26 9.26 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.491 2.127 . . . . 0.0 111.732 179.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -49.94 -42.65 48.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.311 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -57.9 -46.35 85.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.605 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -67.06 -39.72 86.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.59 179.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.77 -44.57 95.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.493 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 17.6 tp -72.42 -35.33 68.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.268 179.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . 0.46 ' HB3' ' CE2' ' A' ' 122' ' ' TYR . 7.6 mm-40 -59.33 -54.66 44.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.96 -178.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . 0.72 ' CD2' HD22 ' A' ' 119' ' ' LEU . 14.8 t80 -69.4 -47.28 64.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.653 0.263 . . . . 0.0 110.888 -179.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 25.5 mt -58.84 -39.39 81.13 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.861 0.362 . . . . 0.0 110.64 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.08 -32.94 72.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.766 179.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 180' ' ' ASN . . . . . 0.834 ' O ' HD12 ' A' ' 184' ' ' LEU . 0.6 OUTLIER -73.17 -49.87 25.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.214 179.502 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -61.32 -37.95 85.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.549 179.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 26.6 tttt -68.83 -34.46 75.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.603 179.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -19.66 65.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.013 179.598 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.834 HD12 ' O ' ' A' ' 180' ' ' ASN . 1.2 mp -104.16 -12.58 16.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.696 -179.458 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 4.3 m 64.27 34.97 10.31 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.829 0.347 . . . . 0.0 110.871 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 2.6 mmm -60.15 -30.6 69.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 187' ' ' TYR . . . . . 0.453 ' CD1' HD11 ' A' ' 100' ' ' LEU . 4.4 p90 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.249 -0.882 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.195 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.61 135.66 35.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.838 0.352 . . . . 0.0 110.865 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -105.3 37.92 2.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -167.88 121.64 0.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -120.89 100.58 46.07 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.83 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.765 ' HA ' HD21 ' A' ' 87' ' ' LEU . 73.0 Cg_endo -76.14 -3.41 13.81 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.56 2.173 . . . . 0.0 112.827 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -85.49 -31.52 22.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.753 0.311 . . . . 0.0 111.246 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -63.92 -23.19 67.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.259 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.765 HD21 ' HA ' ' A' ' 84' ' ' PRO . 0.4 OUTLIER -101.12 -14.91 17.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.481 -179.833 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 89.8 m -53.31 -50.27 65.28 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.689 0.28 . . . . 0.0 111.11 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.469 ' HA ' HG22 ' A' ' 92' ' ' THR . 0.2 OUTLIER -55.22 -31.86 61.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.96 0.41 . . . . 0.0 110.631 179.907 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.56 -47.91 44.29 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 179.014 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 47.6 mm -60.53 -44.17 95.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.087 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.469 HG22 ' HA ' ' A' ' 89' ' ' GLU . 5.8 t -68.8 -51.24 42.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.487 -179.416 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.459 ' N ' HG23 ' A' ' 92' ' ' THR . 0.0 OUTLIER -54.56 -38.34 66.54 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 -178.479 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.431 ' N ' ' HG3' ' A' ' 93' ' ' ARG . 18.7 t80 -69.63 -51.25 36.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.897 0.379 . . . . 0.0 110.449 179.583 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -61.87 -28.31 69.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.808 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' A' ' 96' ' ' LEU . 5.8 tp -67.9 -55.3 13.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.786 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 39.0 t -55.22 -40.14 70.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.928 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 98' ' ' LEU . 16.1 mt -60.88 -47.73 85.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.723 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -64.71 -47.84 76.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.703 HD11 ' CE1' ' A' ' 187' ' ' TYR . 8.6 mt -60.38 -46.93 88.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.848 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.745 ' HA ' HD12 ' A' ' 104' ' ' ILE . 0.5 OUTLIER -63.22 -28.89 70.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 179.881 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -71.1 -39.36 72.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.114 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -70.95 -34.32 71.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.063 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.745 HD12 ' HA ' ' A' ' 101' ' ' ARG . 10.0 mt -69.36 -54.47 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.363 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.509 HG22 ' O ' ' A' ' 101' ' ' ARG . 26.9 m -58.73 -32.07 45.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.504 -179.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -82.74 -3.24 56.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.625 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 65.8 41.93 95.38 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.37 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -92.68 5.69 50.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.599 0.238 . . . . 0.0 111.442 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.755 HD23 ' HD2' ' A' ' 110' ' ' PRO . 0.2 OUTLIER -156.21 134.8 7.48 Favored Pre-proline 0 CA--C 1.53 0.178 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.623 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.755 ' HD2' HD23 ' A' ' 109' ' ' LEU . 52.5 Cg_endo -69.38 125.83 12.82 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.375 2.05 . . . . 0.0 112.389 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 60.0 m -138.15 168.27 20.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.648 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 41.7 t -101.6 161.74 13.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.916 0.389 . . . . 0.0 111.143 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.444 ' CE2' ' HB3' ' A' ' 153' ' ' GLU . 14.2 t80 -56.08 -49.65 73.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.964 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.18 -46.0 79.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.66 -178.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 90.0 m -64.44 -44.09 92.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.823 0.344 . . . . 0.0 110.623 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 116' ' ' LEU . 20.5 mt -54.91 -49.39 71.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.343 179.489 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -67.11 -36.36 81.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.478 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.408 ' HG ' ' CE2' ' A' ' 122' ' ' TYR . 5.8 tt -66.33 -51.77 53.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.917 0.389 . . . . 0.0 110.888 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.543 HD22 ' CD2' ' A' ' 177' ' ' PHE . 43.3 mt -59.92 -33.89 72.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.435 179.669 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.517 ' HA3' HD22 ' A' ' 146' ' ' LEU . . . -71.36 -51.81 15.66 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.184 179.416 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 69.1 m -53.55 -34.91 59.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.57 0.224 . . . . 0.0 111.42 -179.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.424 ' CD2' ' HB3' ' A' ' 176' ' ' GLU . 15.4 m-85 -74.26 -44.19 53.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.841 0.353 . . . . 0.0 110.743 179.775 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . 0.551 HG22 ' OE1' ' A' ' 127' ' ' GLU . 34.0 m -62.2 -41.63 98.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.634 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.496 HG23 HD12 ' A' ' 128' ' ' LEU . 12.2 mm -62.28 -50.08 81.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.526 179.558 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . 0.418 ' HA ' ' CE1' ' A' ' 162' ' ' HIS . 12.5 tp60 -59.28 -36.92 76.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.081 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 53.3 p -78.65 -26.53 45.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.356 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.551 ' OE1' HG22 ' A' ' 123' ' ' THR . 2.1 mt-10 -80.97 -44.46 18.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.28 -179.3 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.91 HD11 ' CE2' ' A' ' 144' ' ' PHE . 1.3 mt -106.91 0.16 23.64 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.052 -0.522 . . . . 0.0 112.13 -178.564 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 80.04 -101.66 1.97 Allowed Glycine 0 C--N 1.33 0.243 0 C-N-CA 120.422 -0.894 . . . . 0.0 112.758 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.63 -179.56 3.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.865 0.364 . . . . 0.0 110.992 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -76.52 109.91 10.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.931 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -117.06 94.59 45.15 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.811 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . 0.425 ' HA ' ' O ' ' A' ' 136' ' ' HIS . 76.2 Cg_endo -77.44 0.68 9.53 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.598 2.198 . . . . 0.0 112.907 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -76.62 -39.21 53.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.764 0.316 . . . . 0.0 111.214 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 29.6 mt -94.07 -45.54 7.52 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.245 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . 0.425 ' O ' ' HA ' ' A' ' 133' ' ' PRO . 51.7 m80 -123.5 -175.74 3.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.826 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 160.13 127.42 0.9 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.809 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 24.0 t 65.89 118.23 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.914 0.388 . . . . 0.0 111.551 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 55.59 22.22 5.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.501 179.636 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . 0.453 ' CE1' ' HG2' ' A' ' 159' ' ' MET . 0.0 OUTLIER -72.39 -3.57 24.85 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -179.67 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 1.006 HG11 HD11 ' A' ' 146' ' ' LEU . 20.4 t -85.05 1.68 4.64 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 CA-C-O 120.709 0.29 . . . . 0.0 111.347 179.629 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 7.0 t -63.13 -14.04 43.92 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.737 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -90.76 -24.35 20.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.706 0.289 . . . . 0.0 111.034 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' PHE . . . . . 0.91 ' CE2' HD11 ' A' ' 128' ' ' LEU . 91.8 m-85 -101.18 118.41 36.92 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.11 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.84 97.32 5.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.002 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 1.006 HD11 HG11 ' A' ' 141' ' ' VAL . 2.6 mt -86.11 -20.85 28.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.2 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -172.11 155.92 3.71 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.103 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -63.97 -25.71 66.66 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.535 2.156 . . . . 0.0 112.333 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -125.13 63.49 1.15 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.844 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . 0.406 ' HG3' HD23 ' A' ' 154' ' ' LEU . 11.6 tt0 -69.52 120.67 15.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.965 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 5.4 t -115.78 161.6 18.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.928 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.76 -43.54 8.61 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.31 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . 0.444 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -56.7 -53.42 57.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.751 179.881 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.936 ' O ' HG23 ' A' ' 158' ' ' VAL . 53.4 tp -61.36 -41.85 97.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.539 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -59.36 -53.97 52.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.829 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -54.44 -51.33 65.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.948 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 3.6 tptp -57.46 -30.94 65.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.136 -179.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.948 HG21 HD13 ' A' ' 146' ' ' LEU . 84.5 t -66.98 -49.56 72.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.902 0.382 . . . . 0.0 110.71 179.44 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' MET . . . . . 0.453 ' HG2' ' CE1' ' A' ' 140' ' ' TYR . 28.1 mtm -68.35 -41.26 80.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.117 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.94 -51.26 70.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.135 -179.716 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 11.5 mt -65.39 -36.45 84.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.086 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . 0.431 ' CE1' HG22 ' A' ' 124' ' ' ILE . 3.9 t60 -64.89 -56.66 12.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.96 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -31.65 69.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.606 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.36 -22.9 13.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.406 -179.646 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 165' ' ' TYR . . . . . 0.465 ' CE2' ' HE1' ' A' ' 168' ' ' MET . 16.6 m-85 -94.37 130.08 40.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.625 0.25 . . . . 0.0 110.747 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.16 -6.58 4.36 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.003 0.372 . . . . 0.0 112.003 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 6.4 m -140.35 10.89 2.33 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.694 0.257 . . . . 0.0 111.694 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 168' ' ' MET . . . . . 0.465 ' HE1' ' CE2' ' A' ' 165' ' ' TYR . 37.7 ttm -69.47 141.04 54.07 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.861 0.362 . . . . 0.0 111.037 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . 0.409 ' HB ' ' HD2' ' A' ' 170' ' ' PRO . 19.9 p -95.84 154.64 38.99 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.76 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . 0.409 ' HD2' ' HB ' ' A' ' 169' ' ' THR . 10.2 Cg_endo -51.16 -55.22 4.25 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.596 2.197 . . . . 0.0 111.84 179.74 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -51.67 -37.29 49.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.135 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.9 -43.59 86.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.467 179.653 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -67.46 -45.38 76.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.663 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.35 -43.36 83.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.537 179.606 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' A' ' 175' ' ' LEU . 12.5 tp -72.25 -29.38 63.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.06 179.367 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . 0.424 ' HB3' ' CD2' ' A' ' 122' ' ' TYR . 5.7 mm-40 -61.62 -52.49 64.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.684 -179.298 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . 0.543 ' CD2' HD22 ' A' ' 119' ' ' LEU . 18.3 t80 -71.62 -43.82 65.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.633 0.254 . . . . 0.0 110.861 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 32.0 mt -61.63 -43.08 99.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.916 0.388 . . . . 0.0 110.614 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -68.0 -32.32 72.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.876 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -73.5 -49.65 25.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.36 179.57 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -61.29 -37.85 84.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.789 179.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 8.1 tptt -71.11 -33.88 70.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.866 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -77.47 -22.24 51.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.111 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.6 mt -89.6 -0.33 57.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.357 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 20.9 m 63.49 36.73 11.04 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.895 0.379 . . . . 0.0 110.928 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 11.7 mtp -64.61 -41.59 96.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.924 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 187' ' ' TYR . . . . . 0.703 ' CE1' HD11 ' A' ' 100' ' ' LEU . 7.6 p90 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.967 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.258 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 74.1 p -125.49 118.18 25.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.798 0.333 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -95.96 130.39 42.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 37.0 tpp -143.12 160.51 40.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.89 153.9 39.02 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.429 ' HA ' ' HG ' ' A' ' 87' ' ' LEU . 48.4 Cg_endo -68.71 -20.39 40.28 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.585 2.19 . . . . 0.0 112.463 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -78.18 -33.29 50.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.109 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -95.1 40.76 1.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.429 ' HG ' ' HA ' ' A' ' 84' ' ' PRO . 33.7 mt -93.11 15.48 15.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.256 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 7.8 m -55.78 -48.44 75.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.822 0.344 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.441 ' HA ' HG22 ' A' ' 92' ' ' THR . 0.7 OUTLIER -51.83 -48.46 63.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 179.891 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -54.94 -46.33 74.95 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.052 0.453 . . . . 0.0 110.544 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 40.6 mm -62.25 -49.29 84.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.915 -179.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.451 HG23 ' N ' ' A' ' 93' ' ' ARG . 7.6 t -65.69 -50.68 64.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.278 -179.34 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.569 ' HG2' HD11 ' A' ' 178' ' ' LEU . 0.0 OUTLIER -54.44 -46.07 73.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.599 0.238 . . . . 0.0 111.438 -179.126 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -58.93 -54.54 45.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.922 0.391 . . . . 0.0 110.638 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -62.46 -28.49 69.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.907 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 96' ' ' LEU . 6.0 tp -66.15 -55.17 17.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.903 0.382 . . . . 0.0 110.643 179.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 35.4 m -55.23 -41.11 71.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.634 179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 48.5 mt -58.93 -44.68 91.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.776 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.502 ' O ' ' HG3' ' A' ' 102' ' ' GLN . 0.9 OUTLIER -64.6 -40.74 96.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 179.91 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.6 HD11 ' CE1' ' A' ' 187' ' ' TYR . 11.1 mt -70.61 -36.79 73.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.547 ' O ' HG22 ' A' ' 105' ' ' VAL . 0.0 OUTLIER -75.98 -35.45 59.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.9 -179.172 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.502 ' HG3' ' O ' ' A' ' 99' ' ' GLN . 0.1 OUTLIER -71.99 -36.37 69.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.894 0.378 . . . . 0.0 110.81 179.526 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -71.11 -49.87 39.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.077 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.461 HD12 ' O ' ' A' ' 100' ' ' LEU . 41.0 mt -57.11 -50.19 77.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.21 -179.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.717 HG11 ' O ' ' A' ' 145' ' ' LYS . 27.6 m -60.03 -32.25 49.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.778 0.323 . . . . 0.0 111.298 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -77.72 -2.7 37.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.617 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 71.45 28.21 70.02 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.502 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 10.8 tpt180 -85.77 2.66 44.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.522 0.201 . . . . 0.0 111.43 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.535 HD23 ' HD2' ' A' ' 110' ' ' PRO . 0.6 OUTLIER -155.97 136.79 9.07 Favored Pre-proline 0 C--N 1.332 -0.191 0 CA-C-O 120.594 0.235 . . . . 0.0 110.647 179.947 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.535 ' HD2' HD23 ' A' ' 109' ' ' LEU . 59.2 Cg_endo -72.08 127.21 12.57 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.45 2.1 . . . . 0.0 112.375 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . 0.573 ' SG ' HD21 ' A' ' 116' ' ' LEU . 6.4 p -138.44 168.26 20.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.731 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.16 162.1 13.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.027 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.451 ' CZ ' ' HB3' ' A' ' 153' ' ' GLU . 15.6 t80 -57.91 -48.78 78.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.923 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.25 -50.63 70.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.7 -178.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.651 HG22 HD11 ' A' ' 119' ' ' LEU . 69.2 m -63.54 -40.6 97.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.821 0.343 . . . . 0.0 110.531 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.573 HD21 ' SG ' ' A' ' 111' ' ' CYS . 13.6 mt -57.65 -46.81 83.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.185 179.449 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.76 -35.23 74.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.373 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 7.6 tt -67.44 -51.78 47.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.898 0.38 . . . . 0.0 110.786 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.664 HD22 ' CD2' ' A' ' 177' ' ' PHE . 13.8 mt -60.56 -35.44 76.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.549 179.689 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.41 ' O ' HG22 ' A' ' 123' ' ' THR . . . -71.31 -52.32 13.77 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.344 179.47 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.479 ' HA ' HG13 ' A' ' 158' ' ' VAL . 28.1 t -53.53 -34.41 58.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.704 0.287 . . . . 0.0 111.457 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.435 ' CE2' ' HB3' ' A' ' 176' ' ' GLU . 16.3 m-85 -74.5 -43.73 54.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.722 0.296 . . . . 0.0 110.814 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . 0.41 HG22 ' O ' ' A' ' 120' ' ' GLY . 0.5 OUTLIER -60.82 -40.27 92.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.393 179.777 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.503 HG23 HD12 ' A' ' 128' ' ' LEU . 27.8 mm -64.02 -47.93 88.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.23 179.357 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . 0.439 ' HA ' ' CE1' ' A' ' 162' ' ' HIS . 15.5 tp60 -58.21 -37.79 75.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.814 179.724 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 13.7 p -78.83 -26.54 44.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.311 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.85 -43.03 23.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.289 -179.245 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.503 HD12 HG23 ' A' ' 124' ' ' ILE . 1.2 mt -110.3 1.96 18.85 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.149 -178.467 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 78.1 -97.79 1.43 Allowed Glycine 0 C--N 1.331 0.255 0 C-N-CA 120.311 -0.947 . . . . 0.0 112.535 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 24.8 p30 -125.67 157.15 38.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.775 0.321 . . . . 0.0 110.763 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . 0.444 ' CE1' ' HD2' ' A' ' 163' ' ' LYS . 56.6 t80 -62.01 130.69 46.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -136.92 97.23 11.17 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.781 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -68.07 -25.39 37.88 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.499 2.132 . . . . 0.0 112.356 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.65 -30.99 59.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.973 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 81.1 mt -98.07 -45.46 6.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.974 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 36.8 m80 -109.62 168.98 9.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -104.83 -126.32 5.76 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.527 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 14.4 m -143.37 159.44 17.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.909 0.385 . . . . 0.0 111.08 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 64.0 28.68 14.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.025 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -86.09 -8.38 57.93 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.197 179.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 1.082 HG12 HD11 ' A' ' 146' ' ' LEU . 3.0 t -70.47 -19.01 21.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.757 0.313 . . . . 0.0 111.129 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 9.4 t -67.21 -13.96 62.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.394 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.41 -28.81 20.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.836 0.35 . . . . 0.0 110.814 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -80.58 145.37 31.78 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . 0.717 ' O ' HG11 ' A' ' 105' ' ' VAL . 0.1 OUTLIER -89.94 82.79 6.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.068 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 1.082 HD11 HG12 ' A' ' 141' ' ' VAL . 0.6 OUTLIER -89.93 -24.3 21.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.684 ' HB1' ' HD2' ' A' ' 148' ' ' PRO . . . -169.54 165.02 6.47 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.133 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . 0.684 ' HD2' ' HB1' ' A' ' 147' ' ' ALA . 56.8 Cg_endo -70.81 -44.41 1.38 Allowed 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.523 2.149 . . . . 0.0 112.283 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -108.33 68.75 0.7 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.827 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . 0.828 ' NE2' HD12 ' A' ' 146' ' ' LEU . 15.5 tt0 -75.48 119.9 20.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.983 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 59.7 p -113.66 164.15 14.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.745 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 2.7 pttm -49.34 -34.06 14.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.461 179.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . 0.451 ' HB3' ' CZ ' ' A' ' 113' ' ' PHE . 27.3 mm-40 -62.75 -55.99 21.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.543 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.945 ' O ' HG23 ' A' ' 158' ' ' VAL . 29.0 tp -59.21 -47.24 86.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.321 179.512 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -57.61 -53.89 53.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.731 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -57.18 -48.99 77.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 8.1 tptt -57.26 -33.97 68.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.279 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.945 HG23 ' O ' ' A' ' 154' ' ' LEU . 49.8 t -67.03 -46.63 84.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.924 0.392 . . . . 0.0 110.627 179.414 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 11.2 mtt -68.2 -42.43 79.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.836 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.29 -54.9 41.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.772 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.418 ' O ' ' CD2' ' A' ' 165' ' ' TYR . 52.8 mt -57.62 -38.48 75.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.656 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . 0.439 ' CE1' ' HA ' ' A' ' 125' ' ' GLN . 3.1 t-160 -60.28 -56.61 19.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.882 179.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . 0.444 ' HD2' ' CE1' ' A' ' 131' ' ' TYR . 18.0 mtpp -66.25 -33.2 75.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.077 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 10.9 p -67.99 -21.06 65.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.441 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 165' ' ' TYR . . . . . 0.418 ' CD2' ' O ' ' A' ' 161' ' ' LEU . 11.2 m-85 -74.05 125.65 28.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.848 0.356 . . . . 0.0 111.131 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.84 -159.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.547 179.683 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.85 72.76 0.17 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.966 0.412 . . . . 0.0 110.684 179.749 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 23.5 ttp -85.23 158.48 20.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.07 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . 0.466 ' HB ' ' HD2' ' A' ' 170' ' ' PRO . 75.3 p -112.31 157.58 39.59 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.623 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . 0.466 ' HD2' ' HB ' ' A' ' 169' ' ' THR . 6.5 Cg_endo -48.67 -52.04 9.28 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.742 2.295 . . . . 0.0 112.225 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -48.97 -44.32 40.82 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.339 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.97 -44.42 87.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.492 179.741 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -64.98 -45.99 83.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.56 179.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.83 -41.32 82.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.556 179.518 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 9.7 tp -72.34 -37.73 68.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.542 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . 0.435 ' HB3' ' CE2' ' A' ' 122' ' ' TYR . 10.3 mm-40 -57.56 -54.55 45.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.271 -0.422 . . . . 0.0 112.102 -178.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . 0.664 ' CD2' HD22 ' A' ' 119' ' ' LEU . 9.3 t80 -70.46 -43.56 69.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.142 -179.55 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 178' ' ' LEU . . . . . 0.569 HD11 ' HG2' ' A' ' 93' ' ' ARG . 87.1 mt -61.52 -40.99 96.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.776 0.322 . . . . 0.0 110.953 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -69.54 -32.81 71.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.755 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 180' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -72.9 -49.98 26.44 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.333 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -62.05 -37.62 85.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.855 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 19.4 ttpp -68.13 -37.92 81.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.898 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.67 -21.01 52.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.228 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.3 mt -89.49 -0.61 57.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.428 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 11.2 p 59.03 35.29 23.93 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.878 0.37 . . . . 0.0 110.95 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 35.2 mmm -67.37 -15.04 63.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.211 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 187' ' ' TYR . . . . . 0.6 ' CE1' HD11 ' A' ' 100' ' ' LEU . 5.4 m-85 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.918 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.194 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.0 m -125.26 134.42 52.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.866 0.365 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 4.4 p80 -170.92 136.57 1.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 2.3 ttp -88.15 137.19 32.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.32 114.1 30.24 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.37 -9.15 25.27 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.437 2.092 . . . . 0.0 112.625 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -96.93 24.17 6.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.766 0.317 . . . . 0.0 111.226 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -99.55 21.69 11.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.963 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -78.37 -49.72 13.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.814 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.2 m -66.34 -48.61 69.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.402 ' HA ' HG22 ' A' ' 92' ' ' THR . 14.9 mt-10 -53.95 -29.91 44.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.924 0.392 . . . . 0.0 110.682 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.27 -47.61 48.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.853 179.28 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 46.4 mm -60.77 -46.59 95.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.25 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.451 HG23 ' N ' ' A' ' 93' ' ' ARG . 10.9 t -62.56 -49.89 73.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.318 -179.576 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.613 ' CG ' HD11 ' A' ' 178' ' ' LEU . 0.8 OUTLIER -54.16 -48.18 71.18 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 111.628 0.233 . . . . 0.0 111.628 -178.819 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -57.78 -54.1 50.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.93 0.395 . . . . 0.0 110.877 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -63.55 -28.39 69.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.281 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' A' ' 96' ' ' LEU . 5.8 tp -68.46 -55.41 11.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.903 0.382 . . . . 0.0 110.768 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 60.7 m -54.59 -43.17 71.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.829 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 85.8 mt -59.61 -45.16 92.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -66.36 -48.57 69.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.032 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.626 HD21 ' HB3' ' A' ' 186' ' ' MET . 1.6 mt -61.18 -43.13 99.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.763 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.474 ' O ' HG22 ' A' ' 105' ' ' VAL . 0.0 OUTLIER -66.98 -28.46 68.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.21 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -71.37 -41.92 69.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.231 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -70.42 -41.55 72.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.26 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.423 HD12 ' HA ' ' A' ' 101' ' ' ARG . 11.6 mt -62.89 -52.9 53.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.403 -179.68 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.474 HG22 ' O ' ' A' ' 101' ' ' ARG . 34.0 m -57.82 -32.46 43.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.66 -179.698 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -79.99 -2.01 42.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.608 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 68.26 37.81 86.92 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.541 -0.837 . . . . 0.0 112.166 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 8.2 ttt-85 -93.93 4.18 54.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.485 0.183 . . . . 0.0 111.457 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -153.68 109.03 2.54 Favored Pre-proline 0 C--N 1.332 -0.19 0 CA-C-O 120.592 0.234 . . . . 0.0 110.607 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -50.66 128.59 24.38 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.519 2.146 . . . . 0.0 112.56 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 72.0 m -143.64 168.29 20.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.676 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.95 160.22 14.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.036 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.415 ' CZ ' ' HA ' ' A' ' 154' ' ' LEU . 14.6 t80 -58.31 -46.6 85.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.805 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.52 -42.04 77.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.588 -179.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.524 HG22 ' CD1' ' A' ' 119' ' ' LEU . 96.5 m -71.55 -37.52 71.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.928 0.394 . . . . 0.0 110.335 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.422 ' HA ' HD23 ' A' ' 116' ' ' LEU . 15.8 mt -61.16 -44.78 96.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.179 179.482 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.468 ' HB2' HD12 ' A' ' 154' ' ' LEU . . . -73.91 -34.77 64.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.321 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 8.2 tt -68.76 -51.92 35.99 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.866 0.365 . . . . 0.0 110.757 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.766 HD22 ' CD2' ' A' ' 177' ' ' PHE . 50.2 mt -65.57 -34.47 78.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.235 179.531 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.422 ' CA ' HD22 ' A' ' 146' ' ' LEU . . . -71.28 -49.93 24.05 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.156 179.439 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 11.4 t -57.84 -34.26 69.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.731 0.301 . . . . 0.0 111.212 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.406 ' CE2' ' CD ' ' A' ' 176' ' ' GLU . 15.6 m-85 -72.7 -42.09 64.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.702 179.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 19.4 m -60.16 -42.13 94.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.277 179.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.497 HG23 HD12 ' A' ' 128' ' ' LEU . 17.2 mm -62.55 -45.53 98.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.156 179.271 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . 0.432 ' HA ' ' CE1' ' A' ' 162' ' ' HIS . 7.8 tm0? -57.88 -36.62 72.65 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.589 179.536 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 19.4 m -78.37 -25.47 46.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.905 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -81.4 -40.6 23.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.629 -179.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.566 HD11 ' CE2' ' A' ' 144' ' ' PHE . 1.9 mt -114.35 0.29 14.07 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -178.247 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 85.97 -123.4 6.4 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.482 -0.866 . . . . 0.0 112.693 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.03 178.91 4.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.905 0.383 . . . . 0.0 111.023 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -90.37 126.0 35.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.955 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -121.05 93.27 48.84 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_exo -56.28 -28.01 69.58 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.557 2.171 . . . . 0.0 112.29 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -67.72 -31.24 71.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.964 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 65.1 mt -86.17 -17.28 35.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.245 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 23.9 m170 61.83 86.26 0.11 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.842 0.354 . . . . 0.0 110.931 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -124.67 108.52 1.12 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.392 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 12.8 m -150.4 160.46 4.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.897 0.379 . . . . 0.0 111.189 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 66.53 13.01 9.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.498 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -82.58 -9.23 59.49 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.632 0.253 . . . . 0.0 111.236 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.723 ' CG1' HD11 ' A' ' 146' ' ' LEU . 6.0 t -70.06 -27.78 33.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.867 0.365 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 31.8 t -63.75 -14.37 51.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.474 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.46 -25.84 17.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.794 0.331 . . . . 0.0 110.723 179.63 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' PHE . . . . . 0.566 ' CE2' HD11 ' A' ' 128' ' ' LEU . 90.0 m-85 -95.2 124.18 39.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.803 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . 0.439 ' O ' HG11 ' A' ' 105' ' ' VAL . 0.0 OUTLIER -81.34 91.87 6.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.178 -179.829 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.723 HD11 ' CG1' ' A' ' 141' ' ' VAL . 2.2 mt -89.43 -23.41 22.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.057 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.553 ' HB1' ' HD2' ' A' ' 148' ' ' PRO . . . -164.24 160.56 16.38 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.111 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . 0.553 ' HD2' ' HB1' ' A' ' 147' ' ' ALA . 37.3 Cg_endo -66.33 -49.5 1.84 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.565 2.177 . . . . 0.0 112.263 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -105.35 69.1 0.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.789 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . 0.49 ' NE2' HD12 ' A' ' 146' ' ' LEU . 11.8 tt0 -67.47 117.16 9.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.006 -179.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 3.3 p -104.21 149.2 25.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.691 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -44.88 -41.68 7.34 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.879 0.371 . . . . 0.0 110.427 179.575 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -60.55 -41.17 94.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.343 179.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.913 ' O ' HG23 ' A' ' 158' ' ' VAL . 52.7 tp -69.22 -47.72 64.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.019 179.232 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -56.38 -52.57 64.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.731 179.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -53.44 -52.48 59.3 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.409 ' O ' HD12 ' A' ' 161' ' ' LEU . 2.4 tptt -57.17 -29.31 63.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.969 -179.291 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.913 HG23 ' O ' ' A' ' 154' ' ' LEU . 49.1 t -67.02 -49.76 70.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.899 0.381 . . . . 0.0 110.434 179.228 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' MET . . . . . 0.407 ' HG3' HG21 ' A' ' 141' ' ' VAL . 11.3 mtt -68.34 -42.88 78.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.75 179.631 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -59.21 -51.28 70.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.774 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.41 ' O ' ' CD2' ' A' ' 165' ' ' TYR . 22.3 mt -59.83 -38.13 81.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.776 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . 0.432 ' CE1' ' HA ' ' A' ' 125' ' ' GLN . 3.2 t-160 -58.64 -56.63 19.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.82 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 12.6 tttp -65.13 -30.83 71.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 164' ' ' SER . . . . . . . . . . . . . 6.3 p -60.82 -23.71 65.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.18 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 165' ' ' TYR . . . . . 0.41 ' CD2' ' O ' ' A' ' 161' ' ' LEU . 18.8 m-85 -93.32 138.39 31.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.776 0.322 . . . . 0.0 110.938 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 10.6 ptt180 -158.98 142.41 14.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.825 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 76.74 35.74 0.38 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.782 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 168' ' ' MET . . . . . . . . . . . . . 11.8 ttp -121.49 152.4 39.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.696 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 27.2 p -101.63 163.03 18.63 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.978 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 170' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -57.96 -50.4 10.3 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.603 2.202 . . . . 0.0 111.999 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -49.8 -42.42 46.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.424 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.86 -42.86 85.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.668 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -68.78 -42.37 77.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.746 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 174' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.37 -42.68 96.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.233 0.54 . . . . 0.0 110.722 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 12.4 tp -72.67 -27.41 62.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.814 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 176' ' ' GLU . . . . . 0.497 ' HG3' ' N ' ' A' ' 177' ' ' PHE . 0.0 OUTLIER -70.14 -51.05 34.45 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -178.575 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 177' ' ' PHE . . . . . 0.766 ' CD2' HD22 ' A' ' 119' ' ' LEU . 7.2 t80 -72.09 -40.4 68.25 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.459 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 178' ' ' LEU . . . . . 0.613 HD11 ' CG ' ' A' ' 93' ' ' ARG . 35.7 mt -61.23 -41.14 96.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.307 179.503 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.05 -32.31 70.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.757 179.444 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 180' ' ' ASN . . . . . 0.801 ' O ' HD12 ' A' ' 184' ' ' LEU . 5.0 m-80 -70.88 -49.92 40.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.922 179.245 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 181' ' ' ALA . . . . . 0.43 ' HB1' ' HB2' ' A' ' 186' ' ' MET . . . -61.72 -37.59 84.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.749 179.539 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . 0.42 ' HB2' ' O ' ' A' ' 178' ' ' LEU . 0.0 OUTLIER -66.33 -35.89 81.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.37 179.529 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 183' ' ' LYS . . . . . . . . . . . . . 10.0 ttmt -70.35 -19.16 63.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.045 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.801 HD12 ' O ' ' A' ' 180' ' ' ASN . 1.0 OUTLIER -106.66 9.47 31.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.822 -179.437 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 1.5 m 56.39 52.25 10.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.817 0.341 . . . . 0.0 111.263 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 186' ' ' MET . . . . . 0.626 ' HB3' HD21 ' A' ' 100' ' ' LEU . 61.4 mtp -99.65 27.32 5.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.782 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 187' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.281 -0.866 . . . . 0.0 110.868 -179.821 . . . . . . . . 0 0 . 1 stop_ save_