data_2jmw_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 2jmw _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . 0.481 ' CH2' ' HG3' ' A' ' 130' ' ' ARG . 29.8 m95 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.841 0.353 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 5.5 m -98.59 162.08 2.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.12 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -52.09 -43.32 63.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -55.03 -61.37 2.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.844 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -56.98 -54.38 47.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 25.5 m -48.44 -57.31 6.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.8 ttt180 -51.85 -49.56 62.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.8 t -55.98 -50.13 71.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.1 tp -59.11 -60.47 3.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.961 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 64.1 mt -42.58 -57.51 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.115 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 48.5 ttm -48.65 -61.08 2.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -49.27 -38.61 27.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.521 ' NH1' ' CZ2' ' A' ' 116' ' ' TRP . 10.0 tpt180 -74.89 -28.06 60.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.843 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 84.8 mtt180 -72.25 -41.31 66.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.829 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -76.59 -39.66 29.28 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.454 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.407 ' O ' ' C ' ' A' ' 103' ' ' ASP . 74.0 mtp -78.38 -17.65 56.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.727 0.299 . . . . 0.0 110.89 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 102' ' ' MET . 7.5 t70 -37.72 -50.81 1.23 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.845 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -46.27 -48.95 15.37 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.501 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 52.5 mt -51.08 -33.4 25.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.868 0.366 . . . . 0.0 110.925 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.529 ' CD1' HD13 ' A' ' 115' ' ' LEU . 52.7 m-85 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 26.1 mtmt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.837 0.351 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . 0.516 ' CE1' ' HG ' ' A' ' 115' ' ' LEU . 29.2 p-80 -63.83 -34.23 77.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.884 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.529 HD13 ' CD1' ' A' ' 106' ' ' PHE . 87.0 mt -69.34 -40.01 77.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.961 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.56 ' CH2' ' HA ' ' A' ' 136' ' ' THR . 29.3 m95 -60.72 -51.01 71.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' A' ' 118' ' ' GLN . 10.4 pt-20 -57.43 -43.23 83.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.429 ' N ' ' HG3' ' A' ' 117' ' ' GLU . 56.4 mt-30 -56.95 -52.9 63.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 96.5 mt -50.9 -51.4 20.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.125 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.412 ' OG ' ' N ' ' A' ' 121' ' ' SER . 51.7 p -51.5 -63.8 1.02 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.412 ' N ' ' OG ' ' A' ' 120' ' ' SER . 2.6 m -41.05 -50.53 3.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.881 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 21.4 mttm -56.14 -47.98 77.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 44.0 mmm -54.47 -54.82 35.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.832 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 47.0 mtm180 -48.99 -43.15 39.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -58.3 -38.9 77.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.19 -32.08 73.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 131.32 2.54 4.53 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.484 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -104.49 111.66 24.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.877 0.37 . . . . 0.0 110.842 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -86.17 96.59 9.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.823 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . 0.481 ' HG3' ' CH2' ' A' ' 87' ' ' TRP . 22.5 mmt180 -138.38 132.48 31.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.8 m -64.63 161.12 47.18 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.661 0.743 . . . . 0.0 110.868 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -38.27 8.02 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.68 2.253 . . . . 0.0 112.341 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -66.14 -35.32 80.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.175 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 32.4 mmm -62.43 -48.23 80.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 88.3 m -61.52 -40.09 93.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' THR . . . . . 0.56 ' HA ' ' CH2' ' A' ' 116' ' ' TRP . 23.7 m -58.4 -58.09 10.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.139 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -60.54 -45.27 94.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 43.1 tptt -55.85 -41.24 74.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . 0.519 ' CD2' ' HG2' ' A' ' 99' ' ' ARG . 60.7 t-105 -60.29 -61.81 2.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -41.16 -43.71 2.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.83 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -63.96 -42.0 97.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 32.6 mt -59.32 -31.11 68.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.941 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 20.3 mt -72.1 -45.36 60.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 8.5 tmtt? -61.59 -39.92 92.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.89 179.945 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 11.2 m95 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.849 0.357 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 5.9 m -91.76 143.25 11.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -46.13 -26.49 0.77 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -71.7 -65.06 0.81 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.553 ' HG2' ' CD1' ' A' ' 128' ' ' PHE . 25.6 mt-10 -56.76 -49.91 73.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.878 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 27.4 m -49.8 -54.75 17.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 50.9 ttt180 -55.85 -52.38 64.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.3 t -52.98 -50.96 63.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 21.5 tp -54.57 -62.1 1.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.924 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 70.1 mt -39.13 -59.59 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.12 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.47 -57.22 12.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -46.42 -43.79 16.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.497 ' HG2' ' CD2' ' A' ' 139' ' ' TRP . 43.9 tpt85 -68.8 -42.24 77.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 -58.94 -57.82 11.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -55.54 -39.06 73.18 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.51 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.436 ' O ' ' C ' ' A' ' 103' ' ' ASP . 65.0 mtp -76.93 -18.39 58.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.819 0.342 . . . . 0.0 110.893 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 102' ' ' MET . 7.3 t70 -35.61 -52.7 0.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 103' ' ' ASP . . . -37.03 -54.99 1.48 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.537 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 39.0 mt -54.7 -50.93 67.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.844 0.354 . . . . 0.0 110.93 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.509 ' CG ' HD11 ' A' ' 115' ' ' LEU . 62.7 m-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 6.5 mptt . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.802 0.334 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 52.7 p-80 -64.71 -34.02 77.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.509 HD11 ' CG ' ' A' ' 106' ' ' PHE . 83.9 mt -65.27 -49.56 69.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 11.4 m95 -54.82 -59.13 5.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -52.29 -35.91 51.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -61.7 -48.32 81.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.898 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 23.7 mt -58.05 -44.33 86.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 28.7 p -60.12 -48.33 82.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.2 m -62.4 -42.87 99.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.849 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 41.1 mttt -61.35 -54.1 48.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 33.3 mmm -48.9 -54.96 13.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 26.4 ttm-85 -48.09 -47.58 34.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -60.36 -42.76 96.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 9.5 mmpt? -63.39 -47.14 83.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 146.73 34.54 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.481 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.553 ' CD1' ' HG2' ' A' ' 91' ' ' GLU . 25.4 m-85 -139.28 106.4 5.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.352 . . . . 0.0 110.908 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -86.47 94.15 9.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -141.05 139.85 34.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 21.2 m -66.1 156.3 84.85 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.634 0.731 . . . . 0.0 110.857 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -45.32 1.65 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.67 2.246 . . . . 0.0 112.391 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 1.2 p -58.37 -29.76 66.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 41.9 mmm -65.18 -40.11 93.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 83.3 m -70.53 -35.35 73.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 98.1 m -62.31 -48.97 77.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.153 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -68.48 -49.99 55.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -53.05 -50.76 63.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . 0.497 ' CD2' ' HG2' ' A' ' 99' ' ' ARG . 74.7 t-105 -53.66 -51.69 62.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 31.1 mtt180 -46.91 -44.92 20.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -63.83 -38.41 91.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 72.6 mt -60.92 -32.91 72.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.451 HD21 ' CE2' ' A' ' 139' ' ' TRP . 26.7 mt -70.81 -48.45 54.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -58.42 -42.52 87.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.992 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 23.1 m95 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.84 0.352 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 29.9 m -97.6 168.18 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.148 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.469 ' HG2' ' N ' ' A' ' 90' ' ' ASP . 5.4 pm0 -56.4 -32.44 64.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.469 ' N ' ' HG2' ' A' ' 89' ' ' GLN . 78.1 m-20 -67.76 -63.11 1.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.553 ' HG3' ' CD1' ' A' ' 128' ' ' PHE . 0.9 OUTLIER -56.03 -57.82 10.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.893 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 91.2 m -42.4 -51.95 4.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -61.33 -52.62 63.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.6 t -44.71 -44.79 9.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.854 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 24.9 tp -66.89 -60.28 2.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 68.3 mt -38.63 -52.53 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 91.7 mtp -55.33 -60.88 2.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.82 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.557 ' CD1' ' HE2' ' A' ' 122' ' ' LYS . 20.1 m-85 -47.69 -43.76 26.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.854 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.554 ' NH1' ' CD2' ' A' ' 106' ' ' PHE . 49.1 tpt85 -65.74 -40.42 92.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 45.5 mtt180 -65.86 -45.64 81.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -67.8 -36.17 86.56 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.475 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.429 ' O ' ' C ' ' A' ' 103' ' ' ASP . 44.7 mtp -82.96 -21.38 34.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.819 0.343 . . . . 0.0 110.91 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 102' ' ' MET . 25.0 t0 -36.27 -49.29 0.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.857 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -38.96 -51.06 2.65 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.514 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.441 HD12 ' CD2' ' A' ' 115' ' ' LEU . 21.9 mt -58.2 -59.84 4.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.875 0.369 . . . . 0.0 110.922 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.554 ' CD2' ' NH1' ' A' ' 99' ' ' ARG . 64.2 m-85 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.791 0.329 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . 0.557 ' CE1' ' HG ' ' A' ' 115' ' ' LEU . 35.5 p-80 -59.33 -45.41 91.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.836 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.557 ' HG ' ' CE1' ' A' ' 114' ' ' HIS . 81.4 mt -52.21 -48.8 64.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 36.9 m95 -56.61 -46.51 80.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -51.08 -42.34 60.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -61.36 -50.81 71.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 80.8 mt -51.4 -60.88 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 76.8 p -50.24 -53.39 28.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 47.1 t -49.61 -45.49 48.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.823 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.557 ' HE2' ' CD1' ' A' ' 98' ' ' PHE . 21.7 mtpt -58.53 -44.43 89.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 69.0 mmm -51.87 -59.83 3.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.86 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . 0.461 ' CD ' ' HA ' ' A' ' 129' ' ' ASP . 4.2 mmm180 -48.4 -42.89 33.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.919 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -62.93 -45.89 90.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 7.4 mmpt? -63.22 -44.85 94.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 145.09 33.17 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.515 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.553 ' CD1' ' HG3' ' A' ' 91' ' ' GLU . 24.6 m-85 -138.27 107.32 6.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.855 0.359 . . . . 0.0 110.829 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.461 ' HA ' ' CD ' ' A' ' 124' ' ' ARG . 11.9 p-10 -86.57 95.58 9.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -139.26 142.8 37.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.823 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.8 m -67.29 161.15 66.8 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.626 0.727 . . . . 0.0 110.869 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -45.83 1.45 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.687 2.258 . . . . 0.0 112.349 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 10.2 p -58.51 -44.11 89.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 76.1 mmm -48.55 -44.04 36.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.857 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 72.3 m -67.59 -40.75 84.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.855 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 91.2 m -56.68 -55.02 39.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -63.0 -53.56 52.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -48.65 -54.15 15.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . 0.5 ' CE3' ' HG2' ' A' ' 99' ' ' ARG . 70.1 t-105 -48.99 -52.26 25.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 11.0 mtp180 -48.78 -40.41 28.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.934 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -63.44 -46.23 87.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 51.5 mt -56.1 -44.55 79.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.44 HD12 ' NE1' ' A' ' 139' ' ' TRP . 55.8 mt -56.6 -49.88 73.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 2.7 mmtp -50.74 -47.01 59.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.932 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 8.2 m95 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.841 0.353 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.431 ' O ' ' C ' ' A' ' 89' ' ' GLN . 23.0 m -96.95 138.37 22.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.123 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 88' ' ' VAL . 29.1 pt20 -35.79 -45.16 0.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.926 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -51.6 -64.8 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.478 ' HG2' ' CD1' ' A' ' 128' ' ' PHE . 62.1 mt-10 -57.27 -60.04 4.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 61.1 m -41.97 -57.08 2.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 7.1 ttm180 -56.76 -45.2 82.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.5 t -56.76 -52.23 65.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 96' ' ' ILE . 22.4 tp -56.19 -62.54 1.64 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.915 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.426 ' C ' ' O ' ' A' ' 95' ' ' LEU . 65.5 mt -36.03 -55.0 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.106 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 10.6 mtp -56.51 -52.1 66.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -52.58 -36.68 56.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.59 ' NH2' ' CZ2' ' A' ' 139' ' ' TRP . 3.6 mmm180 -70.66 -56.9 5.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.86 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -46.65 -47.84 20.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -63.78 -40.1 98.11 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.495 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 40.0 mmm -76.16 -21.02 57.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.772 0.32 . . . . 0.0 110.873 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 104' ' ' GLY . 22.5 t70 -38.03 -53.98 1.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 103' ' ' ASP . . . -35.89 -47.52 0.98 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.513 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.409 HD13 ' CD2' ' A' ' 115' ' ' LEU . 19.4 mt -64.09 -48.97 74.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.835 0.35 . . . . 0.0 110.949 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.565 ' CD2' HD13 ' A' ' 115' ' ' LEU . 75.2 m-85 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 25.2 mmtp . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.857 0.361 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . 0.459 ' CE1' ' HG ' ' A' ' 115' ' ' LEU . 20.7 p-80 -63.78 -42.42 97.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.807 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.565 HD13 ' CD2' ' A' ' 106' ' ' PHE . 72.0 mt -56.34 -44.08 79.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.47 ' CZ3' ' HD3' ' A' ' 99' ' ' ARG . 58.5 m95 -60.77 -48.33 82.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -54.41 -41.61 69.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.939 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -57.63 -55.99 27.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 51.1 mt -51.84 -53.39 17.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.118 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.9 t -49.14 -64.83 0.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 22.8 t -47.07 -41.99 17.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.862 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 123' ' ' MET . 33.1 mtpt -58.72 -66.06 0.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' MET . . . . . 0.407 ' C ' ' O ' ' A' ' 122' ' ' LYS . 35.0 mmm -36.45 -58.02 0.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . 0.404 ' HG3' ' CG ' ' A' ' 129' ' ' ASP . 32.0 ttp180 -47.22 -57.14 5.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -54.8 -42.98 72.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 20.6 mmtt -59.37 -41.63 89.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 155.3 -23.84 0.58 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.471 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.478 ' CD1' ' HG2' ' A' ' 91' ' ' GLU . 49.8 m-85 -98.97 103.58 15.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.855 0.36 . . . . 0.0 110.895 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.404 ' CG ' ' HG3' ' A' ' 124' ' ' ARG . 21.9 t0 -84.07 109.26 17.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -139.52 158.75 43.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.8 m -80.3 160.83 66.98 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.667 0.746 . . . . 0.0 110.868 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -36.09 11.38 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.638 2.225 . . . . 0.0 112.378 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 9.3 p -70.73 -43.39 68.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.134 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 97.7 mmm -51.52 -42.79 61.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 73.2 m -70.2 -42.37 72.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 89.2 m -58.09 -49.34 77.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -67.47 -51.39 51.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 25.8 tptt -51.82 -51.19 58.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . 0.59 ' CZ2' ' NH2' ' A' ' 99' ' ' ARG . 72.6 t-105 -52.67 -55.26 23.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 67.5 mtt-85 -44.66 -46.14 10.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 -59.0 -40.96 86.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 74.2 mt -60.3 -43.77 96.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 36.8 mt -60.42 -37.82 82.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.96 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.24 -46.68 85.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 179.955 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 30.9 m95 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.816 0.341 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.416 ' O ' ' C ' ' A' ' 89' ' ' GLN . 12.0 m -115.1 143.05 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.15 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 88' ' ' VAL . 11.8 tt0 -37.0 -42.74 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.941 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -52.35 -68.1 0.2 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.871 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.521 ' HG2' ' CD1' ' A' ' 128' ' ' PHE . 48.6 mt-10 -54.75 -59.48 4.66 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.7 m -40.0 -51.42 2.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.141 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 3.8 tmm_? -57.19 -56.78 17.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.4 t -50.45 -49.25 55.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 96' ' ' ILE . 20.7 tp -56.57 -67.37 0.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.432 ' C ' ' O ' ' A' ' 95' ' ' LEU . 85.8 mt -35.61 -53.49 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.149 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 24.6 ttm -59.51 -45.91 90.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 3.0 m-30 -55.25 -47.43 75.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.867 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.506 ' HG2' ' CE2' ' A' ' 139' ' ' TRP . 37.5 tpt85 -65.5 -40.82 93.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -62.1 -45.07 95.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -65.03 -44.25 94.63 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.494 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 64.9 mtp -81.07 -11.02 59.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.725 0.297 . . . . 0.0 110.838 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -39.63 -43.87 1.41 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.927 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -47.16 -45.71 20.78 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.46 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.455 ' CB ' HD22 ' A' ' 115' ' ' LEU . 39.5 mt -63.17 -47.08 84.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.85 0.357 . . . . 0.0 110.905 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.491 ' CD2' ' CZ ' ' A' ' 99' ' ' ARG . 49.4 m-85 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 52.6 mmtt . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.806 0.336 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 49.3 p-80 -54.56 -32.14 57.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.455 HD22 ' CB ' ' A' ' 105' ' ' LEU . 96.1 mt -64.85 -44.88 88.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 12.6 m95 -59.1 -51.46 69.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.47 -34.73 74.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -68.97 -45.64 70.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.922 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 69.6 mt -59.25 -42.88 88.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 63.6 p -59.27 -61.13 2.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 58.8 p -47.69 -49.26 28.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 28.9 mttm -50.67 -42.21 56.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 91.1 mtp -62.48 -41.15 98.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.864 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 17.0 mtm180 -57.21 -47.21 81.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -56.57 -32.54 65.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.472 ' N ' ' HE2' ' A' ' 126' ' ' LYS . 0.4 OUTLIER -77.73 -27.35 50.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.937 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 131.4 -11.34 5.52 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.488 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.521 ' CD1' ' HG2' ' A' ' 91' ' ' GLU . 24.0 m-85 -91.49 107.81 19.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.887 0.375 . . . . 0.0 110.889 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 5.9 p30 -96.53 92.97 6.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -133.51 133.38 42.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.9 m -53.7 161.23 1.69 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.684 0.754 . . . . 0.0 110.828 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -50.77 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.647 2.231 . . . . 0.0 112.33 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -56.46 -37.77 70.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 86.5 mmm -48.7 -58.4 4.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 73.1 m -61.43 -33.47 73.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 40.0 m -61.38 -52.49 64.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.162 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -70.38 -46.71 63.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 39.8 tptt -59.89 -40.06 87.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . 0.506 ' CE2' ' HG2' ' A' ' 99' ' ' ARG . 49.5 t-105 -60.19 -55.0 39.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.942 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 17.0 mtp180 -48.32 -45.5 35.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.896 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 17.2 t30 -61.26 -42.4 98.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 27.8 mt -55.77 -36.36 67.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.479 HD23 ' CZ2' ' A' ' 139' ' ' TRP . 17.9 mt -69.59 -42.07 74.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.938 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.06 -41.69 99.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.882 179.987 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . 0.591 ' CD2' ' NH1' ' A' ' 130' ' ' ARG . 15.6 m95 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.803 0.335 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.432 ' O ' ' C ' ' A' ' 89' ' ' GLN . 34.9 m -108.03 149.53 11.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 88' ' ' VAL . 13.2 tt0 -36.07 -55.25 0.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.97 -64.21 0.8 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.454 ' N ' ' OE1' ' A' ' 91' ' ' GLU . 1.4 mp0 -54.33 -61.64 2.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.931 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 89.6 m -39.81 -56.46 1.76 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.142 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -52.56 -44.58 65.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.436 ' O ' ' CD2' ' A' ' 98' ' ' PHE . 2.2 t -61.18 -52.6 64.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.865 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.538 HD23 ' CZ3' ' A' ' 87' ' ' TRP . 12.9 tp -58.09 -46.58 85.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 64.2 mt -56.63 -73.13 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.174 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 11.7 tpp -41.29 -49.98 3.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.436 ' CD2' ' O ' ' A' ' 94' ' ' SER . 3.4 m-85 -48.33 -52.99 19.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.864 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.443 ' NH1' ' OD1' ' A' ' 103' ' ' ASP . 0.1 OUTLIER -55.29 -58.04 9.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.87 -179.907 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.448 ' O ' ' CB ' ' A' ' 103' ' ' ASP . 13.7 mtm180 -44.84 -58.91 2.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.823 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -47.28 -43.38 19.13 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.529 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 77.9 mtp -79.87 -14.03 58.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.84 0.352 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.448 ' CB ' ' O ' ' A' ' 100' ' ' ARG . 22.3 t0 -41.07 -27.48 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -59.46 -43.92 97.1 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.475 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 18.0 mt -68.1 -42.68 79.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.854 0.359 . . . . 0.0 110.928 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.542 ' CZ ' ' HB3' ' A' ' 115' ' ' LEU . 56.8 m-85 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 39.2 mmtm . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.778 0.323 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . 0.469 ' CG ' ' N ' ' A' ' 115' ' ' LEU . 36.7 p-80 -64.01 -46.29 85.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.853 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.542 ' HB3' ' CZ ' ' A' ' 106' ' ' PHE . 41.7 mt -50.64 -41.22 54.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 48.4 m95 -64.59 -55.65 19.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -47.39 -37.07 10.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -64.06 -53.88 42.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 82.0 mt -48.39 -44.42 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 28.4 t -57.75 -57.23 13.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.808 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 59.7 p -45.82 -50.88 13.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 55.9 mttt -50.88 -55.08 18.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.901 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 34.8 mmm -46.15 -56.28 5.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 54.9 mtt180 -49.57 -38.25 30.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -65.03 -43.08 93.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.471 ' HE3' ' N ' ' A' ' 126' ' ' LYS . 0.1 OUTLIER -69.34 -52.74 24.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.911 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . 0.52 ' O ' ' CD1' ' A' ' 128' ' ' PHE . . . 154.89 34.27 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.498 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.52 ' CD1' ' O ' ' A' ' 127' ' ' GLY . 24.7 m-85 -142.83 105.87 4.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.92 0.391 . . . . 0.0 110.865 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.86 99.99 12.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . 0.591 ' NH1' ' CD2' ' A' ' 87' ' ' TRP . 20.6 mmt85 -140.43 130.62 24.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.5 m -55.5 159.35 4.82 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.648 0.737 . . . . 0.0 110.882 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -45.14 1.66 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.697 2.265 . . . . 0.0 112.308 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -55.43 -42.06 73.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.182 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 61.7 mmm -58.5 -39.44 80.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 77.5 m -68.17 -37.34 80.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.845 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 15.7 m -60.65 -59.97 4.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.199 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -58.36 -45.99 87.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 21.7 tptt -49.02 -46.74 44.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 62.1 t-105 -59.4 -54.93 41.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.976 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.28 -44.51 2.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -63.13 -48.1 79.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 28.4 mt -50.82 -42.66 58.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 18.3 mt -61.59 -49.73 75.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.72 -38.78 61.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.928 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.856 179.964 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 25.3 m95 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.869 0.366 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.445 ' CG2' ' CD ' ' A' ' 91' ' ' GLU . 35.7 m -110.51 176.85 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.47 ' HG2' ' N ' ' A' ' 90' ' ' ASP . 0.3 OUTLIER -64.31 -34.29 77.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.47 ' N ' ' HG2' ' A' ' 89' ' ' GLN . 74.3 m-20 -66.86 -62.76 1.28 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.445 ' CD ' ' CG2' ' A' ' 88' ' ' VAL . 1.2 mp0 -53.72 -56.65 15.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.405 HG23 ' CD1' ' A' ' 96' ' ' ILE . 96.9 m -46.03 -57.13 4.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.173 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.5 ttm180 -49.16 -58.5 4.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.404 ' O ' ' CD2' ' A' ' 98' ' ' PHE . 1.7 t -45.55 -50.62 12.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 96' ' ' ILE . 15.6 tp -62.16 -65.38 0.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 95' ' ' LEU . 98.1 mt -37.43 -47.98 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.12 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 48.4 mtp -63.82 -54.12 39.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.404 ' CD2' ' O ' ' A' ' 94' ' ' SER . 17.5 m-85 -49.02 -42.76 39.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.858 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.561 ' HG2' ' CH2' ' A' ' 139' ' ' TRP . 6.8 tpt180 -66.26 -42.14 88.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 62.8 mtp85 -59.0 -57.55 12.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -53.7 -44.71 69.5 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.555 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.435 ' O ' ' C ' ' A' ' 103' ' ' ASP . 66.4 mtp -73.0 -21.95 60.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.741 0.305 . . . . 0.0 110.877 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 102' ' ' MET . 26.3 t0 -35.39 -52.75 0.64 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 103' ' ' ASP . . . -37.65 -45.24 1.43 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.512 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 57.7 mt -64.41 -46.71 82.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.853 0.359 . . . . 0.0 110.9 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.494 ' CD2' HD13 ' A' ' 115' ' ' LEU . 69.9 m-85 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.906 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.774 0.321 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . 0.51 ' CE1' ' HG ' ' A' ' 115' ' ' LEU . 9.3 p-80 -63.89 -38.51 91.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.886 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.51 ' HG ' ' CE1' ' A' ' 114' ' ' HIS . 96.1 mt -62.97 -40.05 96.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 27.2 m95 -61.31 -58.75 7.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -52.34 -31.6 34.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -66.68 -48.02 70.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 96.2 mt -55.28 -50.42 64.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 60.3 p -54.79 -46.63 74.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 57.8 m -59.04 -49.29 78.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 28.2 mttm -54.91 -50.97 67.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 35.1 mmm -49.33 -53.84 20.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 3.5 mtp-105 -52.52 -38.53 59.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -62.88 -40.5 97.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.46 ' HE2' ' N ' ' A' ' 126' ' ' LYS . 0.6 OUTLIER -72.48 -40.84 66.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.911 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 142.11 38.84 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.474 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -143.17 110.07 5.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.833 0.349 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -96.15 94.23 7.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 17.2 mmt180 -135.16 132.69 38.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.1 m -52.91 160.43 1.49 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.673 0.749 . . . . 0.0 110.829 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -49.73 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.638 2.226 . . . . 0.0 112.325 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -57.43 -38.14 73.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.173 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 92.4 mmm -50.72 -50.41 55.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 97.5 m -67.9 -31.27 70.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 19.0 m -64.12 -48.95 74.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -71.71 -47.81 51.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 25.2 tptt -59.72 -40.55 88.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . 0.561 ' CH2' ' HG2' ' A' ' 99' ' ' ARG . 45.8 t-105 -60.16 -54.91 40.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.929 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -48.87 -43.01 38.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -63.58 -42.2 98.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 29.8 mt -55.72 -35.39 66.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.517 HD22 ' CZ2' ' A' ' 139' ' ' TRP . 27.8 mt -69.3 -50.34 47.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.85 -41.18 73.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.88 -179.981 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . 0.446 ' CZ3' HD22 ' A' ' 95' ' ' LEU . 18.8 m95 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.824 0.345 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.417 ' O ' ' C ' ' A' ' 89' ' ' GLN . 21.4 m -104.2 155.7 5.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.139 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.442 ' NE2' ' HA ' ' A' ' 90' ' ' ASP . 1.6 tm0? -37.04 -53.92 0.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.9 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.442 ' HA ' ' NE2' ' A' ' 89' ' ' GLN . 8.0 m-20 -52.81 -69.94 0.1 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.845 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -41.98 -48.97 4.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 98.7 m -61.18 -37.57 83.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.151 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 -69.13 -45.98 68.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.845 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 t -59.97 -48.11 83.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.446 HD22 ' CZ3' ' A' ' 87' ' ' TRP . 16.4 tp -55.5 -67.83 0.25 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 98.6 mt -37.71 -53.39 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 30.8 tpp -48.98 -60.37 2.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.497 ' CE1' ' HE2' ' A' ' 122' ' ' LYS . 39.2 m-85 -51.52 -40.93 60.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.858 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.544 ' HG2' ' CZ3' ' A' ' 139' ' ' TRP . 37.3 tpt85 -61.3 -36.2 79.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 27.4 mtt180 -72.67 -48.37 39.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -63.68 -20.94 64.53 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.519 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 45.1 mtp -102.69 -11.62 18.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.8 0.333 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 104' ' ' GLY . 0.4 OUTLIER -40.62 -43.26 1.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.813 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.421 ' N ' ' OD1' ' A' ' 103' ' ' ASP . . . -44.47 -42.43 7.24 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.461 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 38.5 mt -72.81 -35.63 67.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.786 0.327 . . . . 0.0 110.875 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.407 ' CZ ' ' HB3' ' A' ' 115' ' ' LEU . 72.5 m-85 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.787 0.327 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . 0.531 ' CE1' ' HG ' ' A' ' 115' ' ' LEU . 22.9 p-80 -51.29 -26.84 8.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.839 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.531 ' HG ' ' CE1' ' A' ' 114' ' ' HIS . 72.9 mt -71.25 -50.58 31.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 9.7 m95 -54.95 -52.3 63.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -61.67 -32.69 72.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -66.57 -46.38 76.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 83.2 mt -58.76 -46.65 90.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.109 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 26.4 p -54.82 -59.52 4.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.798 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 43.5 m -45.18 -51.84 10.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.852 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.497 ' HE2' ' CE1' ' A' ' 98' ' ' PHE . 30.5 mtpt -49.76 -67.29 0.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' MET . . . . . 0.431 ' C ' ' O ' ' A' ' 122' ' ' LYS . 32.9 mmm -34.51 -54.48 0.53 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 14.7 ttt180 -50.39 -50.85 50.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -54.99 -39.96 69.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.96 -37.52 75.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 146.86 -10.49 1.4 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -99.3 103.52 15.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.83 0.348 . . . . 0.0 110.898 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' A' ' 129' ' ' ASP . 1.9 p30 -90.2 102.31 15.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 43.0 mmt-85 -141.33 145.98 36.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.4 m -69.9 160.39 80.4 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.671 0.748 . . . . 0.0 110.87 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 -41.17 4.56 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.672 2.248 . . . . 0.0 112.404 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.13 -37.38 74.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' MET . . . . . 0.402 ' CE ' ' HA ' ' A' ' 134' ' ' MET . 1.7 mmt -58.63 -46.97 85.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 70.9 m -62.69 -38.42 90.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 78.5 m -62.45 -59.58 4.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.161 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -61.82 -46.34 89.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 35.5 tptt -56.47 -47.46 79.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . 0.544 ' CZ3' ' HG2' ' A' ' 99' ' ' ARG . 71.3 t-105 -54.04 -49.5 68.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.941 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -51.52 -48.32 63.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -56.94 -43.51 81.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 45.8 mt -56.33 -42.27 77.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 34.1 mt -60.99 -44.66 97.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.34 -47.79 69.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.833 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . 0.55 ' CZ3' HD22 ' A' ' 95' ' ' LEU . 14.5 m95 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.802 0.334 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.8 m -97.15 165.99 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.17 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 26.9 pt20 -54.46 -45.04 73.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.931 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -51.49 -65.68 0.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.449 ' HG2' ' CD1' ' A' ' 128' ' ' PHE . 73.5 mt-10 -59.18 -62.74 1.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 91' ' ' GLU . 85.3 m -36.88 -50.89 0.88 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.164 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.8 ttt85 -59.21 -51.28 70.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.3 t -54.23 -54.38 40.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.843 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.55 HD22 ' CZ3' ' A' ' 87' ' ' TRP . 18.5 tp -51.6 -64.73 0.72 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 66.8 mt -42.69 -44.05 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 9.5 mmt -61.02 -59.16 5.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.876 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -46.76 -39.58 11.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.547 ' HG3' ' CE3' ' A' ' 139' ' ' TRP . 4.0 mmm180 -68.13 -40.51 82.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 28.2 mtp85 -68.23 -42.21 80.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -66.98 -40.13 93.34 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.503 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 54.0 mtp -88.14 -8.94 54.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.772 0.32 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.27 -45.48 2.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -38.75 -45.8 2.1 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.476 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.43 ' CB ' HD21 ' A' ' 115' ' ' LEU . 60.1 mt -66.25 -49.84 65.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.884 0.373 . . . . 0.0 110.942 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.446 ' CD2' HD12 ' A' ' 115' ' ' LEU . 81.9 m-85 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.855 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 41.6 tttt . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.761 0.315 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 48.3 p-80 -58.19 -38.26 76.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.858 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.446 HD12 ' CD2' ' A' ' 106' ' ' PHE . 55.9 mt -62.58 -42.1 99.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.878 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 19.0 m95 -59.3 -57.58 12.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -52.21 -34.48 45.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -70.65 -56.47 6.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.959 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 67.6 mt -51.32 -58.26 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.159 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -52.21 -52.83 49.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 6.0 m -51.03 -49.82 59.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 29.8 mtpt -53.35 -46.79 69.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.914 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 36.2 mmm -51.55 -51.33 56.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 13.7 mtt-85 -54.25 -40.51 67.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -63.9 -40.15 95.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.469 ' N ' ' HE2' ' A' ' 126' ' ' LYS . 0.5 OUTLIER -69.49 -28.57 66.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.902 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 135.8 -10.3 4.25 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.474 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.449 ' CD1' ' HG2' ' A' ' 91' ' ' GLU . 22.8 m-85 -97.31 105.91 18.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.88 0.371 . . . . 0.0 110.879 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -95.21 97.66 10.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -135.38 133.76 39.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 6.7 m -51.24 152.48 4.14 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.628 0.728 . . . . 0.0 110.854 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -36.79 10.12 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.65 2.233 . . . . 0.0 112.39 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -63.36 -36.78 84.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 76.3 mmm -59.49 -47.77 84.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 47.7 m -61.65 -38.11 86.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 84.9 m -61.3 -61.14 2.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.171 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -61.53 -44.13 97.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 38.8 tptt -51.9 -47.15 64.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . 0.547 ' CE3' ' HG3' ' A' ' 99' ' ' ARG . 64.8 t-105 -58.68 -53.28 60.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.922 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.99 -46.98 5.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 33.5 t30 -61.05 -45.65 93.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 40.2 mt -52.68 -35.93 56.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 33.4 mt -69.52 -44.86 70.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 25.1 tptp -61.14 -43.58 98.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.907 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.953 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . 0.567 ' CZ2' ' HD3' ' A' ' 130' ' ' ARG . 14.5 m95 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.824 0.345 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.452 ' O ' ' C ' ' A' ' 89' ' ' GLN . 34.7 m -104.11 138.04 30.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.164 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.452 ' C ' ' O ' ' A' ' 88' ' ' VAL . 11.7 pt20 -34.07 -40.84 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.446 ' N ' ' HG3' ' A' ' 89' ' ' GLN . 3.4 m-20 -58.94 -62.56 1.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.568 ' HG2' ' CD1' ' A' ' 128' ' ' PHE . 40.7 mt-10 -61.17 -47.01 88.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 66.6 m -53.77 -48.85 69.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 16.5 ttm-85 -67.44 -43.57 80.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.438 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 88.3 p -57.33 -35.29 69.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 23.1 tp -73.69 -60.82 2.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.947 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 62.0 mt -38.34 -47.5 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 86.0 mmm -64.73 -51.11 64.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.438 ' CD1' ' O ' ' A' ' 94' ' ' SER . 3.2 m-85 -49.75 -48.0 50.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.647 ' NH1' ' CZ ' ' A' ' 106' ' ' PHE . 6.0 mmm180 -60.88 -57.9 10.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.843 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 40.8 mtp85 -39.34 -44.13 1.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -71.18 -42.38 58.17 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.531 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.452 ' O ' ' C ' ' A' ' 103' ' ' ASP . 72.8 mmm -69.33 -22.61 63.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.807 0.336 . . . . 0.0 110.9 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 102' ' ' MET . 2.7 t0 -34.04 -46.95 0.25 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -54.97 -56.86 20.96 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.471 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 40.2 mt -49.18 -36.49 19.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.876 0.37 . . . . 0.0 110.927 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.647 ' CZ ' ' NH1' ' A' ' 99' ' ' ARG . 71.7 m-85 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 43.8 mmtt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.784 0.326 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . 0.555 ' CE1' ' HG ' ' A' ' 115' ' ' LEU . 16.8 p-80 -58.92 -37.5 76.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.556 HD13 ' CD1' ' A' ' 106' ' ' PHE . 88.1 mt -63.1 -42.69 99.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.909 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.562 ' CH2' ' HA ' ' A' ' 136' ' ' THR . 21.4 m95 -57.52 -58.89 6.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.949 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.448 ' HG3' ' N ' ' A' ' 118' ' ' GLN . 8.1 pt-20 -51.3 -35.47 37.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.448 ' N ' ' HG3' ' A' ' 117' ' ' GLU . 18.2 mt-30 -61.75 -43.59 98.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.883 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 80.9 mt -59.81 -50.96 78.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 13.7 t -55.06 -56.58 18.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.817 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 23.0 t -53.13 -45.43 68.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 44.8 mttm -60.34 -54.34 46.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 37.2 mmm -46.26 -57.16 4.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.842 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 24.0 ttp180 -48.35 -48.41 36.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -56.35 -43.1 78.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.856 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.421 ' N ' ' HE2' ' A' ' 126' ' ' LYS . 0.0 OUTLIER -67.48 -48.91 65.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 150.7 34.33 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.521 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.568 ' CD1' ' HG2' ' A' ' 91' ' ' GLU . 43.3 m-85 -142.15 105.13 4.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.866 0.365 . . . . 0.0 110.869 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -89.87 95.7 10.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . 0.567 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 6.9 mmp_? -139.77 130.09 25.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 19.4 m -52.6 152.8 6.18 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.664 0.745 . . . . 0.0 110.824 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -34.69 14.07 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.704 2.269 . . . . 0.0 112.32 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 1.6 p -67.15 -39.3 86.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.179 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 72.5 mmm -57.38 -39.29 75.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 56.8 m -70.34 -40.48 74.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' THR . . . . . 0.562 ' HA ' ' CH2' ' A' ' 116' ' ' TRP . 52.7 m -56.29 -52.43 64.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.157 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -67.57 -44.04 79.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 44.9 tptt -56.96 -46.54 82.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 72.5 t-105 -57.69 -50.37 73.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 27.6 mtp180 -51.72 -45.0 63.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -58.63 -43.06 89.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 87.3 mt -58.18 -41.98 85.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 41.0 mt -60.68 -40.8 93.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.939 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.08 -51.93 65.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.945 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 42.5 m95 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.778 0.323 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.422 ' O ' ' C ' ' A' ' 89' ' ' GLN . 5.8 m -106.31 143.81 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 88' ' ' VAL . 31.2 tt0 -36.77 -52.5 0.91 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.96 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -47.08 -67.84 0.24 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.446 ' HG2' ' CD1' ' A' ' 128' ' ' PHE . 48.0 mt-10 -52.59 -60.44 3.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.906 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 15.4 m -40.73 -49.35 3.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.133 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.6 -52.86 63.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.1 t -54.83 -42.88 72.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 14.2 tp -63.6 -63.29 1.22 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 69.2 mt -42.77 -44.77 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 6.5 tpt -63.32 -60.81 2.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -46.21 -43.68 15.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.635 ' NH1' ' CZ ' ' A' ' 106' ' ' PHE . 10.8 tpt180 -61.69 -42.86 99.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.864 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 28.1 mtt-85 -65.31 -54.17 32.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -56.55 -24.03 45.32 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.486 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 46.9 mtp -97.41 -12.93 22.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.78 0.324 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.412 ' OD1' ' C ' ' A' ' 103' ' ' ASP . 0.1 OUTLIER -40.77 -44.96 2.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.896 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.411 ' N ' ' OD1' ' A' ' 103' ' ' ASP . . . -37.76 -48.58 1.87 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.476 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.411 ' CB ' HD23 ' A' ' 115' ' ' LEU . 23.1 mt -63.82 -56.05 18.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.841 0.353 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.635 ' CZ ' ' NH1' ' A' ' 99' ' ' ARG . 79.5 m-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.76 0.314 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . 0.566 ' CE1' ' HG ' ' A' ' 115' ' ' LEU . 27.5 p-80 -60.45 -42.63 96.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.566 ' HG ' ' CE1' ' A' ' 114' ' ' HIS . 90.3 mt -56.48 -46.52 80.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.947 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.602 ' CZ2' ' NH1' ' A' ' 99' ' ' ARG . 77.6 m95 -57.41 -46.57 83.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.932 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -53.51 -41.38 66.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -61.5 -48.74 79.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.935 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 88.0 mt -57.37 -55.3 21.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 76.8 p -48.51 -53.41 18.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.824 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 31.2 t -51.99 -57.93 8.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 16.2 mttm -45.62 -63.74 0.89 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 34.4 mmm -39.71 -57.05 1.6 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 30.3 mtm180 -44.95 -42.59 8.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -69.01 -48.24 63.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.859 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.47 ' HD2' ' N ' ' A' ' 126' ' ' LYS . 7.6 mmmt -52.33 -39.34 60.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 136.02 30.01 0.33 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.508 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.446 ' CD1' ' HG2' ' A' ' 91' ' ' GLU . 27.8 m-85 -140.44 106.57 5.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.846 0.355 . . . . 0.0 110.909 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -87.83 103.67 15.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 10.2 mmp_? -142.07 130.6 22.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 6.4 m -50.65 156.49 1.56 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.635 0.731 . . . . 0.0 110.847 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -50.77 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.651 2.234 . . . . 0.0 112.333 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -56.52 -34.93 67.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.161 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 79.6 mmm -54.14 -54.93 32.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 99.6 m -60.29 -36.53 78.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.848 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 5.4 m -59.26 -54.71 43.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -66.21 -50.14 64.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 24.4 tptt -51.87 -43.89 63.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . 0.552 ' CZ3' ' HG2' ' A' ' 99' ' ' ARG . 73.0 t-105 -58.5 -54.0 52.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 18.7 mtp85 -46.43 -44.07 16.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -63.58 -39.43 94.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 32.1 mt -60.59 -31.53 70.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 26.6 mt -74.73 -38.89 62.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 18.3 tptp -69.54 -28.05 65.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.896 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.947 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 20.2 m95 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.826 0.346 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 32.6 m -73.34 157.57 6.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -50.62 -50.8 53.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.18 -66.44 0.39 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.505 ' HG2' ' CD1' ' A' ' 128' ' ' PHE . 48.9 mt-10 -51.24 -59.39 4.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 59.8 m -42.35 -55.16 3.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.149 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -61.12 -44.59 97.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.821 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.52 ' O ' ' CD2' ' A' ' 98' ' ' PHE . 47.7 m -55.25 -45.29 76.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 96' ' ' ILE . 24.2 tp -63.21 -65.0 0.75 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.869 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.416 ' C ' ' O ' ' A' ' 95' ' ' LEU . 60.8 mt -36.68 -59.44 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 8.5 tpt -51.29 -57.21 9.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.52 ' CD2' ' O ' ' A' ' 94' ' ' SER . 13.0 m-85 -45.95 -41.59 11.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.525 ' HG2' ' CH2' ' A' ' 139' ' ' TRP . 36.7 tpt85 -66.88 -40.33 87.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.875 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 -57.24 -43.35 82.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -70.8 -42.24 61.58 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.513 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 72.6 mmm -70.14 -21.8 63.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.825 0.345 . . . . 0.0 110.926 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -40.96 -55.6 2.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.826 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -40.3 -47.82 3.62 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.492 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 54.0 mt -57.25 -54.68 44.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.883 0.373 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.478 ' CG ' HD12 ' A' ' 115' ' ' LEU . 75.5 m-85 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 14.1 mmtm . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.835 0.35 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . 0.535 ' CE1' ' HG ' ' A' ' 115' ' ' LEU . 8.0 p-80 -61.36 -41.26 96.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.871 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.535 ' HG ' ' CE1' ' A' ' 114' ' ' HIS . 89.7 mt -59.77 -36.73 77.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.942 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 13.4 m95 -64.14 -57.27 10.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.935 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.418 ' CG ' ' O ' ' A' ' 114' ' ' HIS . 8.6 pt-20 -52.75 -29.39 26.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.855 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -70.13 -45.91 65.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.96 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 65.3 mt -57.68 -46.02 86.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 59.8 p -57.48 -54.04 51.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 64.8 m -49.42 -50.45 40.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 33.9 mttm -50.35 -60.72 2.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 39.6 mmm -42.22 -63.28 0.77 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.872 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . 0.472 ' HD3' ' CB ' ' A' ' 129' ' ' ASP . 2.7 mmm180 -39.13 -45.57 1.32 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.813 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -65.37 -51.79 58.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.44 -46.41 73.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . 0.445 ' O ' ' CD1' ' A' ' 128' ' ' PHE . . . 144.11 32.58 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.498 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.505 ' CD1' ' HG2' ' A' ' 91' ' ' GLU . 31.1 m-85 -143.53 105.58 4.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.824 0.345 . . . . 0.0 110.855 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.472 ' CB ' ' HD3' ' A' ' 124' ' ' ARG . 15.0 p-10 -85.02 98.59 10.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . 0.45 ' HA ' ' NE ' ' A' ' 130' ' ' ARG . 4.8 mmp_? -136.1 125.62 25.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.3 m -54.95 160.03 3.31 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.69 0.757 . . . . 0.0 110.866 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -50.88 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.669 2.246 . . . . 0.0 112.339 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 1.2 p -51.44 -45.57 62.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.183 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 98.1 mmm -50.97 -46.19 61.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 96.7 m -64.72 -39.63 93.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 86.4 m -59.32 -56.68 18.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.171 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -62.93 -56.04 20.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 25.5 tptt -47.83 -49.79 28.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . 0.525 ' CH2' ' HG2' ' A' ' 99' ' ' ARG . 68.9 t-105 -52.34 -55.13 23.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.927 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . 0.42 ' NH1' ' HB3' ' A' ' 140' ' ' ARG . 6.3 mtp-105 -47.2 -44.21 22.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.861 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -60.62 -41.85 95.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 51.0 mt -58.36 -33.9 70.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.94 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 23.5 mt -69.28 -44.52 71.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.86 -42.86 94.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.974 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 14.8 m95 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.868 0.366 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 13.9 m -108.78 150.45 11.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.099 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -37.12 -53.56 1.01 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -48.92 -60.28 2.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -63.37 -62.14 1.88 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.5 m -40.33 -56.1 2.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.137 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.87 -47.47 71.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.8 t -54.14 -49.72 68.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.8 tp -63.05 -62.35 1.77 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 63.4 mt -39.71 -63.88 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.181 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 11.7 tpt -44.68 -59.18 2.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -47.22 -44.36 22.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.511 ' HG2' ' CE2' ' A' ' 139' ' ' TRP . 29.8 tpt85 -63.78 -51.23 65.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.847 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 57.1 mtp85 -47.46 -35.06 8.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -75.59 -48.63 10.17 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.491 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 69.4 mmm -69.45 -10.78 59.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.78 0.324 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 104' ' ' GLY . 5.0 t0 -43.82 -59.82 2.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 103' ' ' ASP . . . -35.86 -36.94 0.14 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.479 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.465 HD13 ' CD2' ' A' ' 115' ' ' LEU . 18.8 mt -72.77 -59.03 2.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.813 0.339 . . . . 0.0 110.912 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 179.91 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.806 0.336 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . 0.42 ' CE1' ' HG ' ' A' ' 115' ' ' LEU . 42.4 p-80 -51.41 -40.11 58.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.465 ' CD2' HD13 ' A' ' 105' ' ' LEU . 97.6 mt -56.05 -53.79 52.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.567 ' CZ2' ' HA ' ' A' ' 136' ' ' THR . 37.3 m95 -52.33 -47.47 66.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -50.62 -47.26 58.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.83 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -58.58 -58.25 9.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 79.3 mt -52.95 -62.63 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -46.12 -54.1 9.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 47.6 t -50.01 -57.01 8.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.804 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.407 ' O ' ' N ' ' A' ' 125' ' ' GLU . 35.6 mttt -47.64 -58.74 3.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.89 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 23.5 mmm -40.39 -56.48 2.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -53.63 -34.14 57.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.822 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 122' ' ' LYS . 33.2 mt-10 -71.45 -42.66 67.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.472 ' HD2' ' N ' ' A' ' 126' ' ' LYS . 6.8 mmmm -57.45 -52.94 63.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . 0.423 ' O ' ' CD1' ' A' ' 128' ' ' PHE . . . 153.37 33.69 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.423 ' CD1' ' O ' ' A' ' 127' ' ' GLY . 34.0 m-85 -143.69 106.5 4.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.909 0.385 . . . . 0.0 110.831 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -82.22 105.29 13.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.837 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 19.6 mmt180 -142.37 140.02 31.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 4.3 m -63.32 158.38 57.4 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.664 0.745 . . . . 0.0 110.872 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -50.65 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.64 2.227 . . . . 0.0 112.32 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 15.6 p -50.63 -42.75 56.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.177 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 80.9 mmm -50.28 -45.23 54.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 78.6 m -67.12 -36.41 81.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' THR . . . . . 0.567 ' HA ' ' CZ2' ' A' ' 116' ' ' TRP . 83.0 m -63.96 -53.68 46.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.103 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -70.51 -48.84 53.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.867 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 27.8 tptt -52.8 -43.43 65.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . 0.511 ' CE2' ' HG2' ' A' ' 99' ' ' ARG . 69.4 t-105 -61.37 -56.01 25.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 16.2 mtp180 -44.27 -42.48 6.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -61.59 -50.45 72.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 42.9 mt -47.19 -46.37 23.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 18.7 mt -58.79 -52.14 67.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 42.3 tttt -45.38 -45.45 12.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.985 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 14.1 m95 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.846 0.355 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 34.5 m -113.12 154.65 14.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -42.86 -50.19 5.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.27 -63.93 0.98 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -54.65 -62.16 1.84 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 62.3 m -39.51 -60.32 0.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.16 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 4.7 tpp85 -51.97 -52.55 49.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 15.7 t -45.37 -44.91 12.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.824 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 27.0 tp -69.13 -47.14 65.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 67.1 mt -49.94 -59.37 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.156 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.75 -60.76 2.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -46.33 -37.34 7.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.871 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.638 ' NH1' ' CE2' ' A' ' 106' ' ' PHE . 6.5 tpt180 -68.3 -52.92 28.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 76.7 mtp180 -44.69 -49.62 10.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -63.63 -41.36 99.1 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.472 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.419 ' O ' ' C ' ' A' ' 103' ' ' ASP . 65.9 mmm -70.03 -22.38 63.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.783 0.325 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 102' ' ' MET . 34.2 t70 -36.98 -61.35 0.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 103' ' ' ASP . . . -37.33 -44.16 1.12 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.502 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.461 ' CB ' HD21 ' A' ' 115' ' ' LEU . 16.2 mt -62.92 -56.29 18.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.798 0.332 . . . . 0.0 110.893 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.638 ' CE2' ' NH1' ' A' ' 99' ' ' ARG . 67.7 m-85 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 14.9 mtpt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.767 0.318 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . 0.419 ' NE2' HD22 ' A' ' 115' ' ' LEU . 52.7 p-80 -62.7 -40.52 97.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.461 HD21 ' CB ' ' A' ' 105' ' ' LEU . 61.9 mt -59.19 -48.86 80.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.943 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.568 ' CH2' ' HA ' ' A' ' 136' ' ' THR . 8.8 m95 -54.92 -59.45 4.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.405 ' CG ' ' O ' ' A' ' 114' ' ' HIS . 12.0 pt-20 -51.92 -39.31 58.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -59.51 -55.93 28.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.927 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 74.0 mt -46.31 -50.06 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.099 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 13.5 t -52.25 -48.97 64.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.834 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 54.3 m -53.55 -45.59 69.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.842 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 14.7 mtmt -60.26 -33.05 71.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 68.2 mtp -69.79 -42.28 73.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.22 -48.73 77.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.835 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 126' ' ' LYS . 6.8 pt-20 -61.31 -35.0 76.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.454 ' CE ' ' HA ' ' A' ' 126' ' ' LYS . 2.4 mmpt? -72.19 -41.28 67.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.929 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 137.72 36.26 0.17 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.469 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -142.36 105.16 4.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.854 0.359 . . . . 0.0 110.868 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 15.2 p-10 -85.1 98.38 10.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -138.68 150.49 46.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 41.6 m -76.27 155.41 84.11 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.667 0.746 . . . . 0.0 110.864 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -38.93 7.2 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.634 2.223 . . . . 0.0 112.37 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -64.92 -32.29 73.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' MET . . . . . 0.469 ' CE ' ' HA ' ' A' ' 134' ' ' MET . 1.2 mmt -64.14 -46.05 85.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 62.9 m -63.66 -39.6 94.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.865 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' THR . . . . . 0.568 ' HA ' ' CH2' ' A' ' 116' ' ' TRP . 74.1 m -57.68 -58.21 9.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.097 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -62.92 -47.89 81.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -52.17 -47.56 65.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . 0.559 ' CH2' ' HG2' ' A' ' 99' ' ' ARG . 72.4 t-105 -55.4 -52.72 62.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.947 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 67.8 mtt180 -48.3 -40.32 24.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 19.9 t30 -63.21 -47.11 83.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 40.5 mt -52.77 -45.16 67.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.482 HD22 ' CE2' ' A' ' 139' ' ' TRP . 24.7 mt -57.93 -50.69 72.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 5.9 tppt? -48.42 -43.89 34.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 22.6 m95 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.824 0.345 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.41 ' O ' ' C ' ' A' ' 89' ' ' GLN . 25.0 m -102.24 151.57 5.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.075 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 88' ' ' VAL . 40.4 tt0 -37.1 -61.93 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -44.12 -70.02 0.12 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -42.13 -65.78 0.42 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 23.1 m -45.06 -37.84 4.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.158 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 43.2 mtt180 -76.49 -30.64 57.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.408 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 5.8 p -66.11 -38.34 87.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 37.9 tp -75.01 -47.81 27.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 53.7 mt -47.27 -52.31 5.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 57.6 mtp -65.13 -46.27 81.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.408 ' CD1' ' O ' ' A' ' 94' ' ' SER . 6.0 m-30 -51.54 -42.38 61.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.895 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.51 ' NH1' ' NE1' ' A' ' 139' ' ' TRP . 9.2 tpt180 -76.82 -39.63 50.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 59.8 mtp180 -61.82 -29.89 70.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -86.61 -32.5 15.53 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.55 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 44.8 mtp -82.61 -15.86 50.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.766 0.317 . . . . 0.0 110.856 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 104' ' ' GLY . 0.7 OUTLIER -38.19 -53.05 1.46 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 103' ' ' ASP . . . -35.97 -43.89 0.69 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.506 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.455 ' CB ' HD23 ' A' ' 115' ' ' LEU . 25.8 mt -65.59 -57.02 9.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.844 0.354 . . . . 0.0 110.912 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.523 ' CD2' HD11 ' A' ' 115' ' ' LEU . 70.3 m-85 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.815 0.34 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 22.8 p-80 -64.03 -37.65 88.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.812 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.523 HD11 ' CD2' ' A' ' 106' ' ' PHE . 80.5 mt -61.17 -47.92 83.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 68.3 m95 -58.02 -42.51 85.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -59.09 -40.03 84.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -59.13 -55.26 37.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 51.6 mt -49.79 -42.75 18.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.116 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.9 t -54.41 -61.51 2.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.6 t -47.71 -44.03 27.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 123' ' ' MET . 60.3 mttm -60.19 -64.47 0.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' MET . . . . . 0.405 ' C ' ' O ' ' A' ' 122' ' ' LYS . 82.9 mmm -37.21 -38.27 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 70.5 mtt180 -64.77 -52.55 56.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.471 ' CG ' ' HE2' ' A' ' 126' ' ' LYS . 3.6 pt-20 -62.4 -25.81 68.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.471 ' HE2' ' CG ' ' A' ' 125' ' ' GLU . 15.4 mmtt -81.18 17.55 1.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 76.11 14.32 82.38 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.502 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -122.71 103.79 8.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.854 0.359 . . . . 0.0 110.835 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -87.67 102.3 14.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -142.28 144.09 33.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.0 m -68.64 160.57 76.27 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.648 0.737 . . . . 0.0 110.863 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -43.1 2.83 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.632 2.221 . . . . 0.0 112.336 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -61.37 -35.65 78.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.122 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 99.2 mmm -58.21 -51.58 69.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 69.6 m -58.39 -41.06 84.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 85.7 m -58.5 -62.19 2.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -60.61 -42.19 96.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 21.0 tptt -56.27 -46.63 79.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . 0.51 ' NE1' ' NH1' ' A' ' 99' ' ' ARG . 45.2 t-105 -56.99 -49.92 74.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.949 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -52.06 -44.3 64.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.823 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -62.23 -38.35 88.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 32.5 mt -60.8 -35.51 76.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 15.8 mt -70.81 -38.23 73.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 20.1 mmtt -70.14 -39.47 75.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.952 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.94 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 19.9 m95 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.818 0.342 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.404 ' O ' ' C ' ' A' ' 89' ' ' GLN . 34.5 m -90.54 145.54 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.124 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.419 ' HG3' ' N ' ' A' ' 90' ' ' ASP . 17.7 pt20 -37.18 -50.77 0.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.419 ' N ' ' HG3' ' A' ' 89' ' ' GLN . 0.9 OUTLIER -49.92 -51.18 42.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 92' ' ' THR . 35.0 mt-10 -66.79 -67.74 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 91' ' ' GLU . 75.1 m -36.91 -53.16 0.95 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.148 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.5 ttt85 -56.83 -57.67 11.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 41.2 t -44.81 -39.39 5.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 16.6 tp -69.24 -62.31 1.43 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.926 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 66.8 mt -41.41 -53.0 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 60.8 mtp -57.36 -53.1 61.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -49.65 -45.1 48.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.528 ' NH2' ' CD1' ' A' ' 106' ' ' PHE . 0.0 OUTLIER -66.9 -43.84 82.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 47.5 mtp180 -56.36 -40.57 74.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -69.63 -40.65 77.16 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.463 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.439 ' O ' ' C ' ' A' ' 103' ' ' ASP . 38.8 mmm -74.59 -14.91 60.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.789 0.328 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 102' ' ' MET . 6.9 t70 -35.45 -53.22 0.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -50.07 -52.7 25.79 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.492 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 28.8 mt -54.89 -51.39 66.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.817 0.341 . . . . 0.0 110.875 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.528 ' CD1' ' NH2' ' A' ' 99' ' ' ARG . 37.6 m-85 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.879 0.371 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 40.9 p-80 -66.27 -35.66 80.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 27.1 mt -64.48 -34.36 78.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.407 ' CH2' ' HA ' ' A' ' 136' ' ' THR . 49.7 m95 -71.78 -60.97 1.96 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -46.03 -36.5 5.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -65.01 -60.11 3.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 88.8 mt -43.32 -46.28 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 77.4 p -59.61 -44.05 93.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 26.3 m -62.94 -42.34 99.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.822 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -58.44 -44.13 89.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.927 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 91.0 mtp -58.53 -58.25 9.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 69.8 mtt180 -45.56 -44.91 13.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -51.47 -41.56 60.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.896 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.55 -42.11 65.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.925 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 143.01 43.31 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.471 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -140.45 106.66 5.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.893 0.378 . . . . 0.0 110.864 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -90.81 95.3 10.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 31.6 mmt-85 -141.24 124.48 16.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.0 m -50.24 160.88 0.64 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.699 0.762 . . . . 0.0 110.828 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -40.28 5.47 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.679 2.253 . . . . 0.0 112.321 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -55.83 -40.91 73.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.089 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 76.3 mmm -55.36 -55.79 27.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 95.4 m -55.52 -31.68 62.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' THR . . . . . 0.407 ' HA ' ' CH2' ' A' ' 116' ' ' TRP . 97.9 m -67.04 -61.51 1.9 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.167 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -61.18 -49.28 77.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 15.6 tptm -52.34 -53.61 42.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . 0.543 ' CZ2' HD22 ' A' ' 143' ' ' LEU . 65.6 t-105 -47.99 -56.96 6.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.926 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -46.96 -46.75 21.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.836 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -62.3 -41.36 98.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . 0.466 ' HA ' ' CG ' ' A' ' 145' ' ' GLU . 30.9 mt -56.79 -34.98 68.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.543 HD22 ' CZ2' ' A' ' 139' ' ' TRP . 33.6 mt -69.84 -46.87 64.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . 0.466 ' HE3' ' N ' ' A' ' 144' ' ' LYS . 0.5 OUTLIER -63.93 -39.97 95.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 179.829 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . 0.466 ' CG ' ' HA ' ' A' ' 142' ' ' LEU . 1.3 pp20? . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . 0.464 ' CE3' ' HB3' ' A' ' 91' ' ' GLU . 11.1 m95 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.819 0.343 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.45 ' O ' ' C ' ' A' ' 89' ' ' GLN . 6.1 m -111.09 143.92 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.193 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 88' ' ' VAL . 9.3 pt20 -34.39 -52.58 0.49 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -46.25 -51.35 14.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.464 ' HB3' ' CE3' ' A' ' 87' ' ' TRP . 6.8 mm-40 -68.14 -63.08 1.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 53.8 m -40.14 -55.77 2.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -51.97 -61.89 1.97 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.875 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.5 t -47.91 -46.52 31.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 16.2 tp -56.18 -64.46 0.85 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 82.3 mt -40.14 -52.31 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.509 ' N ' HH21 ' A' ' 100' ' ' ARG . 9.2 tpt -50.41 -57.73 7.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.418 ' CE1' ' HB3' ' A' ' 122' ' ' LYS . 43.2 m-85 -47.39 -43.88 23.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.832 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.556 ' NH2' ' CZ2' ' A' ' 139' ' ' TRP . 4.4 mmm180 -66.02 -40.3 90.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.839 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.509 HH21 ' N ' ' A' ' 97' ' ' MET . 56.1 mtm180 -63.13 -55.52 24.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -59.49 -28.83 65.52 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.519 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.4 ' O ' ' C ' ' A' ' 103' ' ' ASP . 31.6 mtp -91.23 -17.04 26.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.761 0.315 . . . . 0.0 110.832 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.468 ' OD1' ' N ' ' A' ' 104' ' ' GLY . 0.3 OUTLIER -37.58 -44.88 0.71 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.847 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.468 ' N ' ' OD1' ' A' ' 103' ' ' ASP . . . -43.64 -46.01 7.17 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.458 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 23.7 mt -71.99 -35.68 69.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.841 0.353 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.561 ' CD1' HD13 ' A' ' 115' ' ' LEU . 32.5 m-85 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 7.5 tppt? . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.852 0.358 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 40.9 p-80 -56.89 -42.84 80.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.864 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.561 HD13 ' CD1' ' A' ' 106' ' ' PHE . 58.9 mt -57.17 -44.69 83.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 7.4 m95 -57.09 -61.36 2.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.928 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.434 ' HG3' ' N ' ' A' ' 118' ' ' GLN . 8.0 pt-20 -51.22 -38.2 51.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.872 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.434 ' N ' ' HG3' ' A' ' 117' ' ' GLU . 16.6 mt-30 -60.48 -51.44 69.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 93.9 mt -51.99 -48.35 40.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 30.2 t -53.62 -49.45 67.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 40.4 t -57.47 -51.73 68.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.842 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.418 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 54.9 mttm -48.64 -54.74 13.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 27.3 mmm -46.86 -60.12 2.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.843 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . 0.422 ' HD2' ' C ' ' A' ' 124' ' ' ARG . 1.3 tmm_? -50.25 -49.91 51.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.894 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -53.02 -39.63 63.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.463 ' HE2' ' N ' ' A' ' 126' ' ' LYS . 0.3 OUTLIER -74.33 -61.27 1.92 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.913 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 168.47 31.23 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.486 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.439 ' CD1' ' OE2' ' A' ' 91' ' ' GLU . 25.3 m-85 -139.63 108.88 6.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.836 0.35 . . . . 0.0 110.899 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -94.19 100.95 12.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -141.85 145.74 35.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.8 m -67.38 161.37 65.29 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.678 0.751 . . . . 0.0 110.878 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -37.68 8.88 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.689 2.259 . . . . 0.0 112.33 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 2.1 p -59.11 -48.29 82.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 7.7 mtp -47.62 -53.92 13.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 96.4 m -57.74 -36.79 72.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.929 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 97.0 m -63.06 -55.36 26.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -65.82 -55.4 17.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.824 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 42.2 tptt -47.96 -50.27 27.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . 0.556 ' CZ2' ' NH2' ' A' ' 99' ' ' ARG . 70.9 t-105 -52.5 -53.75 41.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 18.4 mtp85 -46.31 -45.08 17.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 -59.86 -50.3 74.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 48.3 mt -49.85 -46.96 51.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.928 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.547 HD21 ' CZ2' ' A' ' 139' ' ' TRP . 28.2 mt -56.82 -45.67 82.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.935 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 24.4 mmtm -53.7 -44.07 69.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.97 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 24.5 m95 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.804 0.335 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 12.8 m -85.53 151.02 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.146 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -39.38 -55.52 1.73 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -43.54 -68.42 0.2 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -48.9 -56.89 7.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 41.5 m -43.92 -53.31 6.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.094 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 -62.16 -38.47 89.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.834 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 10.3 p -61.84 -50.46 72.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.835 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 96' ' ' ILE . 18.3 tp -62.03 -64.32 0.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.924 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.415 ' C ' ' O ' ' A' ' 95' ' ' LEU . 71.5 mt -36.57 -59.41 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 59.7 mtp -48.02 -59.09 3.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.885 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -50.44 -44.76 55.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.622 ' NH2' ' CD2' ' A' ' 106' ' ' PHE . 0.0 OUTLIER -59.33 -59.01 6.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 -179.92 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.411 ' O ' ' CB ' ' A' ' 103' ' ' ASP . 77.4 mtp180 -50.82 -53.48 31.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -50.34 -38.09 33.22 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.497 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 60.2 mmm -81.29 -12.26 59.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.811 0.339 . . . . 0.0 110.874 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 106' ' ' PHE . 8.9 t70 -39.53 -58.29 1.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 103' ' ' ASP . . . -36.29 -37.82 0.22 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.471 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.459 ' CB ' HD21 ' A' ' 115' ' ' LEU . 47.0 mt -73.97 -42.07 61.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.896 0.379 . . . . 0.0 110.947 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.622 ' CD2' ' NH2' ' A' ' 99' ' ' ARG . 29.3 m-85 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.808 0.337 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . 0.511 ' CE1' ' HG ' ' A' ' 115' ' ' LEU . 24.5 p-80 -55.67 -33.33 64.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.511 ' HG ' ' CE1' ' A' ' 114' ' ' HIS . 78.4 mt -63.7 -52.53 60.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.937 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 16.2 m95 -55.26 -42.17 73.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -63.28 -34.09 76.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -68.59 -55.71 10.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 49.9 mt -48.44 -45.89 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.126 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 69.8 p -60.94 -59.37 5.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.2 t -46.13 -42.02 13.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.829 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -58.0 -56.3 23.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 81.6 mtp -44.79 -57.92 3.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 10.6 ttt85 -49.78 -39.63 38.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -66.12 -40.84 90.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.25 -24.26 63.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 130.82 0.69 5.19 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.478 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -114.97 105.92 13.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.823 0.344 . . . . 0.0 110.851 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -90.88 105.57 17.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 50.5 mmt-85 -141.91 126.75 18.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.4 p -50.02 155.28 1.63 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.697 0.76 . . . . 0.0 110.87 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -35.4 12.64 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.704 2.269 . . . . 0.0 112.369 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -61.59 -48.08 82.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.094 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 56.1 mmm -51.96 -43.51 63.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 41.6 m -63.63 -38.29 90.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 20.6 m -61.54 -55.27 32.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -64.37 -48.75 74.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.829 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 24.4 tptt -56.08 -39.22 71.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . 0.564 ' CE3' ' HG3' ' A' ' 99' ' ' ARG . 66.6 t-105 -60.7 -51.73 68.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -51.54 -44.33 62.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.866 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -58.66 -41.51 86.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 65.4 mt -57.79 -43.3 85.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 20.5 mt -60.94 -41.19 95.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.968 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 2.5 mmmm -57.84 -51.71 68.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 179.96 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . 0.534 ' CZ3' HD21 ' A' ' 95' ' ' LEU . 22.7 m95 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.817 0.341 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 22.3 m -89.63 158.51 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.112 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.453 ' HG3' ' N ' ' A' ' 90' ' ' ASP . 21.1 pt20 -45.3 -48.47 13.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.453 ' N ' ' HG3' ' A' ' 89' ' ' GLN . 2.4 m-20 -50.24 -68.0 0.21 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.455 ' HG2' ' CD1' ' A' ' 128' ' ' PHE . 47.4 mt-10 -54.88 -59.59 4.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 99.4 m -40.61 -54.73 2.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.114 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 4.9 tpp180 -53.81 -49.45 68.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.405 ' O ' ' CD2' ' A' ' 98' ' ' PHE . 1.5 m -57.69 -38.02 74.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.534 HD21 ' CZ3' ' A' ' 87' ' ' TRP . 38.8 tp -65.37 -45.64 83.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 77.5 mt -64.5 -44.93 96.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.165 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 7.0 tpt -57.29 -59.11 5.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.405 ' CD2' ' O ' ' A' ' 94' ' ' SER . 28.3 m-85 -49.24 -44.59 43.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.916 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.528 ' NH2' ' CZ2' ' A' ' 139' ' ' TRP . 4.1 mmm180 -60.61 -46.87 88.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 47.7 mtp180 -59.32 -42.66 91.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -70.59 -37.55 68.18 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.471 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 39.2 mtp -83.94 -11.72 56.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.815 0.34 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -39.45 -52.58 2.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -38.66 -53.35 2.39 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.503 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 40.7 mt -61.23 -43.86 98.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.868 0.366 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 179.997 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 28.8 mmtm . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.826 0.346 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 43.7 p-80 -58.0 -33.81 69.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.877 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 74.2 mt -64.59 -41.16 96.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.518 ' CH2' ' HA ' ' A' ' 136' ' ' THR . 10.8 m95 -61.57 -59.8 4.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.447 ' HG3' ' N ' ' A' ' 118' ' ' GLN . 12.6 pt-20 -51.74 -40.51 60.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.447 ' N ' ' HG3' ' A' ' 117' ' ' GLU . 25.7 mt-30 -57.17 -57.9 10.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 66.8 mt -47.62 -56.49 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 26.8 t -42.53 -52.79 4.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 12.6 t -55.23 -56.01 24.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.822 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 26.6 mtmt -44.54 -52.17 8.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.953 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 91.6 mtp -50.58 -63.85 0.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . 0.412 ' HG2' ' CG ' ' A' ' 129' ' ' ASP . 1.8 tmm_? -41.85 -52.46 4.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -44.96 -41.79 7.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.93 -55.75 6.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 159.76 35.14 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.464 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.455 ' CD1' ' HG2' ' A' ' 91' ' ' GLU . 25.3 m-85 -139.04 105.17 5.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.868 0.366 . . . . 0.0 110.842 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.412 ' CG ' ' HG2' ' A' ' 124' ' ' ARG . 0.9 OUTLIER -91.45 89.88 7.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 11.6 mmt180 -127.51 133.66 49.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.8 m -55.5 159.51 4.67 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.658 0.742 . . . . 0.0 110.843 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -49.58 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.668 2.245 . . . . 0.0 112.352 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -53.29 -39.19 63.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.124 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 66.5 mmm -54.61 -50.09 68.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.854 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 43.1 m -58.13 -41.85 84.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' THR . . . . . 0.518 ' HA ' ' CH2' ' A' ' 116' ' ' TRP . 30.8 m -56.19 -64.39 0.88 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -57.76 -49.62 75.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.832 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . 0.477 ' CE ' HD13 ' A' ' 142' ' ' LEU . 0.4 OUTLIER -49.39 -60.76 2.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . 0.528 ' CZ2' ' NH2' ' A' ' 99' ' ' ARG . 72.3 t-105 -43.38 -54.37 4.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -46.32 -43.55 15.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 28.1 t30 -60.39 -50.59 72.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . 0.477 HD13 ' CE ' ' A' ' 138' ' ' LYS . 35.5 mt -52.56 -46.98 67.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.496 HD21 ' CZ2' ' A' ' 139' ' ' TRP . 46.6 mt -55.34 -45.16 76.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 43.9 tttt -53.9 -45.87 71.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.904 179.955 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 23.7 m95 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.866 0.365 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 33.5 m -111.12 158.25 11.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.142 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -56.98 -55.65 31.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.493 ' N ' ' OD1' ' A' ' 90' ' ' ASP . 2.4 p-10 -46.04 -69.97 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.552 ' HA ' ' CE2' ' A' ' 128' ' ' PHE . 8.5 pt-20 -52.58 -42.37 64.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.41 ' N ' ' CG ' ' A' ' 91' ' ' GLU . 4.5 m -54.35 -35.15 62.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.145 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 2.1 ttm105 -74.28 -39.3 63.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.451 ' O ' ' CD2' ' A' ' 98' ' ' PHE . 1.4 t -58.44 -42.33 87.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 14.9 tp -68.47 -63.33 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 68.1 mt -38.48 -56.64 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 6.8 ttp -54.52 -52.11 63.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.537 ' CE1' ' HD3' ' A' ' 122' ' ' LYS . 4.7 m-85 -47.52 -50.14 24.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.903 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.474 ' HD3' ' CZ3' ' A' ' 116' ' ' TRP . 3.8 mmm180 -56.57 -53.01 62.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.809 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -54.95 -46.45 75.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -64.2 -24.76 69.15 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.463 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 76.2 mtp -98.57 -6.67 29.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.757 0.313 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.475 ' OD1' ' N ' ' A' ' 104' ' ' GLY . 0.4 OUTLIER -45.42 -46.37 13.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.871 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.475 ' N ' ' OD1' ' A' ' 103' ' ' ASP . . . -45.01 -55.26 6.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.493 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.469 HD12 ' CD2' ' A' ' 115' ' ' LEU . 73.7 mt -49.46 -53.88 20.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.843 0.354 . . . . 0.0 110.894 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.516 ' CZ ' HD12 ' A' ' 115' ' ' LEU . 73.2 m-85 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.83 0.347 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . 0.566 ' CE1' ' HG ' ' A' ' 115' ' ' LEU . 24.0 p-80 -63.69 -36.37 83.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.837 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.566 ' HG ' ' CE1' ' A' ' 114' ' ' HIS . 84.5 mt -67.16 -43.77 81.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.948 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.474 ' CZ3' ' HD3' ' A' ' 99' ' ' ARG . 8.5 m95 -58.92 -52.0 67.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.951 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -61.98 -30.06 70.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.12 -46.13 75.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 36.0 mt -61.19 -45.31 98.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 60.2 p -56.51 -47.18 79.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.807 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 23.4 t -59.01 -38.92 80.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.848 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.537 ' HD3' ' CE1' ' A' ' 98' ' ' PHE . 56.4 mttt -62.08 -58.42 7.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.897 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 54.1 mmm -44.32 -50.71 8.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 31.8 ttt180 -56.43 -48.52 76.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -61.82 -38.66 89.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -66.46 -45.52 79.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.937 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 158.33 -17.78 0.3 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.502 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.552 ' CE2' ' HA ' ' A' ' 91' ' ' GLU . 59.3 m-85 -101.58 108.61 20.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.855 0.359 . . . . 0.0 110.877 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -93.1 100.73 13.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -140.23 126.78 20.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.72 161.31 0.9 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.663 0.744 . . . . 0.0 110.879 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -26.63 27.61 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.689 2.259 . . . . 0.0 112.391 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -64.23 -45.05 89.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 2.7 mmt -59.73 -47.97 83.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 47.9 m -64.96 -32.38 74.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.825 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 52.4 m -65.71 -55.56 16.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -65.56 -51.17 61.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 24.3 tptt -50.2 -48.85 54.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . 0.456 ' CZ2' ' NH2' ' A' ' 99' ' ' ARG . 75.0 t-105 -54.45 -58.05 8.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -41.0 -50.05 3.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -57.16 -49.07 77.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 61.5 mt -51.97 -32.08 31.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.436 HD21 ' CE2' ' A' ' 139' ' ' TRP . 38.6 mt -72.07 -41.33 67.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.986 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -65.49 -32.91 74.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . 0.496 ' C ' ' CD ' ' A' ' 145' ' ' GLU . 1.8 pp20? . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.815 0.34 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.3 ptpp? -126.97 153.48 45.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.3 mtt85 -158.34 107.51 2.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -109.18 -12.67 14.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.091 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 48.26 41.61 16.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 56.2 m -118.42 -54.9 2.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.18 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.481 ' CH2' ' HG3' ' A' ' 130' ' ' ARG . 29.8 m95 -109.33 142.39 40.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.928 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 5.5 m -98.59 162.08 2.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.12 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -52.09 -43.32 63.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -55.03 -61.37 2.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.844 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -56.98 -54.38 47.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 25.5 m -48.44 -57.31 6.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.8 ttt180 -51.85 -49.56 62.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.8 t -55.98 -50.13 71.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.1 tp -59.11 -60.47 3.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.961 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 64.1 mt -42.58 -57.51 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.115 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 48.5 ttm -48.65 -61.08 2.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -49.27 -38.61 27.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.521 ' NH1' ' CZ2' ' A' ' 116' ' ' TRP . 10.0 tpt180 -74.89 -28.06 60.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.843 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 84.8 mtt180 -72.25 -41.31 66.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.829 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -76.59 -39.66 29.28 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.454 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.407 ' O ' ' C ' ' A' ' 103' ' ' ASP . 74.0 mtp -78.38 -17.65 56.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.727 0.299 . . . . 0.0 110.89 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 102' ' ' MET . 7.5 t70 -37.72 -50.81 1.23 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.845 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -46.27 -48.95 15.37 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.501 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 52.5 mt -51.08 -33.4 25.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.868 0.366 . . . . 0.0 110.925 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.529 ' CD1' HD13 ' A' ' 115' ' ' LEU . 52.7 m-85 -72.81 -32.64 65.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -77.58 -46.12 23.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 9.2 t -73.18 -43.49 61.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.148 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.3 t -98.84 125.99 44.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.821 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.32 -58.84 6.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.922 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 57.7 p -60.64 142.86 55.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.463 ' O ' ' N ' ' A' ' 115' ' ' LEU . 1.9 p30 -123.52 -28.43 3.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 26.1 mtmt -40.5 -48.18 2.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.516 ' CE1' ' HG ' ' A' ' 115' ' ' LEU . 29.2 p-80 -63.83 -34.23 77.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.884 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.529 HD13 ' CD1' ' A' ' 106' ' ' PHE . 87.0 mt -69.34 -40.01 77.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.961 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.56 ' CH2' ' HA ' ' A' ' 136' ' ' THR . 29.3 m95 -60.72 -51.01 71.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' A' ' 118' ' ' GLN . 10.4 pt-20 -57.43 -43.23 83.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.429 ' N ' ' HG3' ' A' ' 117' ' ' GLU . 56.4 mt-30 -56.95 -52.9 63.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 96.5 mt -50.9 -51.4 20.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.125 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.412 ' OG ' ' N ' ' A' ' 121' ' ' SER . 51.7 p -51.5 -63.8 1.02 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.412 ' N ' ' OG ' ' A' ' 120' ' ' SER . 2.6 m -41.05 -50.53 3.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.881 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 21.4 mttm -56.14 -47.98 77.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 44.0 mmm -54.47 -54.82 35.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.832 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 47.0 mtm180 -48.99 -43.15 39.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -58.3 -38.9 77.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.19 -32.08 73.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 131.32 2.54 4.53 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.484 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -104.49 111.66 24.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.877 0.37 . . . . 0.0 110.842 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -86.17 96.59 9.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.823 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.481 ' HG3' ' CH2' ' A' ' 87' ' ' TRP . 22.5 mmt180 -138.38 132.48 31.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.8 m -64.63 161.12 47.18 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.661 0.743 . . . . 0.0 110.868 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -38.27 8.02 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.68 2.253 . . . . 0.0 112.341 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -66.14 -35.32 80.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.175 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 32.4 mmm -62.43 -48.23 80.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 88.3 m -61.52 -40.09 93.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' THR . . . . . 0.56 ' HA ' ' CH2' ' A' ' 116' ' ' TRP . 23.7 m -58.4 -58.09 10.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.139 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -60.54 -45.27 94.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 43.1 tptt -55.85 -41.24 74.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . 0.519 ' CD2' ' HG2' ' A' ' 99' ' ' ARG . 60.7 t-105 -60.29 -61.81 2.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -41.16 -43.71 2.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.83 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -63.96 -42.0 97.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.552 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 32.6 mt -59.32 -31.11 68.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.941 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 20.3 mt -72.1 -45.36 60.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 8.5 tmtt? -61.59 -39.92 92.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -76.38 -39.7 53.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.552 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 2.7 m-85 -58.31 -41.86 85.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 39.8 mttp -67.94 -57.23 6.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.88 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 12.5 tmtt? -52.69 -41.25 63.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.929 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -49.45 152.31 1.35 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 11.9 ttmt -39.51 160.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . 0.453 ' CD2' ' N ' ' A' ' 151' ' ' HIS . 0.7 OUTLIER -145.04 147.22 32.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.81 179.871 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' A' ' 153' ' ' ASP . 35.7 t-80 -35.49 -69.74 0.1 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 152' ' ' HIS . 34.1 t70 -35.39 139.3 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -77.23 154.31 33.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 127.41 68.1 0.15 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.505 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -79.91 -40.63 27.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.847 0.356 . . . . 0.0 110.899 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 84.97 -172.55 47.94 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.491 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 29.2 p -100.65 95.12 6.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.852 0.358 . . . . 0.0 110.867 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -62.01 -60.31 3.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.108 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 32.4 mtpt -53.91 161.16 1.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' MET . . . . . 0.425 ' HG3' ' N ' ' A' ' 162' ' ' SER . 15.8 tpt -113.46 160.43 18.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' SER . . . . . 0.425 ' N ' ' HG3' ' A' ' 161' ' ' MET . 4.1 m -79.91 129.54 34.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.887 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -79.4 121.0 24.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -57.59 119.68 6.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.931 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.99 42.66 7.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.898 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.984 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 47.6 mmtt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.856 0.36 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 26.6 tttm -131.15 111.52 12.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 59.2 ttm-85 -107.79 -11.14 15.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.818 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -172.0 137.85 0.98 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.11 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -84.78 49.36 1.7 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 40.0 p -127.81 -47.4 1.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.154 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 11.2 m95 -118.9 155.36 31.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 5.9 m -91.76 143.25 11.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -46.13 -26.49 0.77 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -71.7 -65.06 0.81 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.553 ' HG2' ' CD1' ' A' ' 128' ' ' PHE . 25.6 mt-10 -56.76 -49.91 73.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.878 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 27.4 m -49.8 -54.75 17.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 50.9 ttt180 -55.85 -52.38 64.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.3 t -52.98 -50.96 63.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 21.5 tp -54.57 -62.1 1.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.924 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 70.1 mt -39.13 -59.59 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.12 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.47 -57.22 12.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -46.42 -43.79 16.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.497 ' HG2' ' CD2' ' A' ' 139' ' ' TRP . 43.9 tpt85 -68.8 -42.24 77.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 -58.94 -57.82 11.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -55.54 -39.06 73.18 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.51 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.436 ' O ' ' C ' ' A' ' 103' ' ' ASP . 65.0 mtp -76.93 -18.39 58.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.819 0.342 . . . . 0.0 110.893 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 102' ' ' MET . 7.3 t70 -35.61 -52.7 0.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 103' ' ' ASP . . . -37.03 -54.99 1.48 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.537 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 39.0 mt -54.7 -50.93 67.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.844 0.354 . . . . 0.0 110.93 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.509 ' CG ' HD11 ' A' ' 115' ' ' LEU . 62.7 m-85 -47.61 -54.38 12.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -53.16 -49.0 67.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 15.0 t -84.62 35.11 0.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.149 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.3 m -169.46 114.23 0.54 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.838 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.413 ' HD2' ' C ' ' A' ' 110' ' ' LYS . 0.2 OUTLIER -58.45 -55.93 28.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.875 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 11.1 t -83.07 123.01 29.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -105.14 33.08 3.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 6.5 mptt -71.15 -51.59 24.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.933 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 52.7 p-80 -64.71 -34.02 77.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.509 HD11 ' CG ' ' A' ' 106' ' ' PHE . 83.9 mt -65.27 -49.56 69.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 11.4 m95 -54.82 -59.13 5.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -52.29 -35.91 51.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -61.7 -48.32 81.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.898 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 23.7 mt -58.05 -44.33 86.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 28.7 p -60.12 -48.33 82.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.2 m -62.4 -42.87 99.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.849 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 41.1 mttt -61.35 -54.1 48.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 33.3 mmm -48.9 -54.96 13.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 26.4 ttm-85 -48.09 -47.58 34.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -60.36 -42.76 96.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 9.5 mmpt? -63.39 -47.14 83.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 146.73 34.54 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.481 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.553 ' CD1' ' HG2' ' A' ' 91' ' ' GLU . 25.4 m-85 -139.28 106.4 5.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.352 . . . . 0.0 110.908 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -86.47 94.15 9.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -141.05 139.85 34.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 21.2 m -66.1 156.3 84.85 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.634 0.731 . . . . 0.0 110.857 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -45.32 1.65 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.67 2.246 . . . . 0.0 112.391 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 1.2 p -58.37 -29.76 66.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 41.9 mmm -65.18 -40.11 93.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 83.3 m -70.53 -35.35 73.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 98.1 m -62.31 -48.97 77.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.153 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -68.48 -49.99 55.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -53.05 -50.76 63.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . 0.497 ' CD2' ' HG2' ' A' ' 99' ' ' ARG . 74.7 t-105 -53.66 -51.69 62.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 31.1 mtt180 -46.91 -44.92 20.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -63.83 -38.41 91.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.527 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 72.6 mt -60.92 -32.91 72.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.451 HD21 ' CE2' ' A' ' 139' ' ' TRP . 26.7 mt -70.81 -48.45 54.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -58.42 -42.52 87.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -73.6 -42.44 61.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.527 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 2.7 m-85 -56.83 -42.35 79.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.859 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.408 ' C ' ' HD3' ' A' ' 147' ' ' LYS . 0.1 OUTLIER -75.02 -47.4 29.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 21.3 mmtp -88.47 27.78 1.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -82.8 37.91 0.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.13 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 35.4 tttt -40.19 161.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . 0.59 ' CD2' ' O ' ' A' ' 151' ' ' HIS . 0.6 OUTLIER -131.11 78.0 1.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.898 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -162.22 167.31 24.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -65.85 -56.41 11.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -139.53 135.54 33.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -71.5 -140.71 0.26 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.509 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -86.42 -39.52 16.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.9 0.381 . . . . 0.0 110.916 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 117.99 -131.13 9.11 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.456 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 29.7 m -154.25 176.05 12.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.839 0.352 . . . . 0.0 110.88 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -93.26 -50.49 5.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.091 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 9.2 ptmm? 39.62 39.19 0.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 43.8 mmm -130.12 156.29 44.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.841 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 27.2 t -114.88 -61.63 1.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -165.68 160.01 16.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . 0.486 ' CD2' ' HG2' ' A' ' 165' ' ' LYS . 8.0 t80 -96.88 163.16 13.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.892 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . 0.486 ' HG2' ' CD2' ' A' ' 164' ' ' TYR . 0.2 OUTLIER -49.68 145.61 5.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.864 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.98 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.845 0.355 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.03 103.78 15.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.455 ' N ' ' HD3' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -134.52 41.22 2.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -149.17 136.54 20.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.089 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -79.68 102.62 9.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.839 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.8 m -153.91 149.4 27.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.124 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 23.1 m95 -66.58 140.43 57.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 29.9 m -97.6 168.18 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.148 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.469 ' HG2' ' N ' ' A' ' 90' ' ' ASP . 5.4 pm0 -56.4 -32.44 64.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.469 ' N ' ' HG2' ' A' ' 89' ' ' GLN . 78.1 m-20 -67.76 -63.11 1.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.553 ' HG3' ' CD1' ' A' ' 128' ' ' PHE . 0.9 OUTLIER -56.03 -57.82 10.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.893 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 91.2 m -42.4 -51.95 4.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -61.33 -52.62 63.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.6 t -44.71 -44.79 9.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.854 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 24.9 tp -66.89 -60.28 2.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 68.3 mt -38.63 -52.53 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 91.7 mtp -55.33 -60.88 2.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.82 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.557 ' CD1' ' HE2' ' A' ' 122' ' ' LYS . 20.1 m-85 -47.69 -43.76 26.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.854 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.554 ' NH1' ' CD2' ' A' ' 106' ' ' PHE . 49.1 tpt85 -65.74 -40.42 92.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 45.5 mtt180 -65.86 -45.64 81.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -67.8 -36.17 86.56 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.475 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.429 ' O ' ' C ' ' A' ' 103' ' ' ASP . 44.7 mtp -82.96 -21.38 34.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.819 0.343 . . . . 0.0 110.91 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 102' ' ' MET . 25.0 t0 -36.27 -49.29 0.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.857 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -38.96 -51.06 2.65 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.514 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.441 HD12 ' CD2' ' A' ' 115' ' ' LEU . 21.9 mt -58.2 -59.84 4.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.875 0.369 . . . . 0.0 110.922 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.554 ' CD2' ' NH1' ' A' ' 99' ' ' ARG . 64.2 m-85 -38.96 -40.52 0.66 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -74.83 -51.6 13.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.1 t -86.21 33.03 0.61 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 28.0 t -164.34 117.19 1.35 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.86 -35.27 77.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.915 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 16.4 m -78.41 136.93 37.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.404 ' N ' ' OD1' ' A' ' 112' ' ' ASN . 11.7 p-10 -125.96 -36.93 2.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -39.35 -56.18 1.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.557 ' CE1' ' HG ' ' A' ' 115' ' ' LEU . 35.5 p-80 -59.33 -45.41 91.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.836 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.557 ' HG ' ' CE1' ' A' ' 114' ' ' HIS . 81.4 mt -52.21 -48.8 64.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 36.9 m95 -56.61 -46.51 80.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -51.08 -42.34 60.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -61.36 -50.81 71.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 80.8 mt -51.4 -60.88 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 76.8 p -50.24 -53.39 28.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 47.1 t -49.61 -45.49 48.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.823 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.557 ' HE2' ' CD1' ' A' ' 98' ' ' PHE . 21.7 mtpt -58.53 -44.43 89.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 69.0 mmm -51.87 -59.83 3.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.86 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.461 ' CD ' ' HA ' ' A' ' 129' ' ' ASP . 4.2 mmm180 -48.4 -42.89 33.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.919 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -62.93 -45.89 90.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 7.4 mmpt? -63.22 -44.85 94.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 145.09 33.17 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.515 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.553 ' CD1' ' HG3' ' A' ' 91' ' ' GLU . 24.6 m-85 -138.27 107.32 6.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.855 0.359 . . . . 0.0 110.829 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.461 ' HA ' ' CD ' ' A' ' 124' ' ' ARG . 11.9 p-10 -86.57 95.58 9.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -139.26 142.8 37.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.823 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.8 m -67.29 161.15 66.8 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.626 0.727 . . . . 0.0 110.869 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -45.83 1.45 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.687 2.258 . . . . 0.0 112.349 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 10.2 p -58.51 -44.11 89.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 76.1 mmm -48.55 -44.04 36.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.857 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 72.3 m -67.59 -40.75 84.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.855 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 91.2 m -56.68 -55.02 39.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -63.0 -53.56 52.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -48.65 -54.15 15.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . 0.5 ' CE3' ' HG2' ' A' ' 99' ' ' ARG . 70.1 t-105 -48.99 -52.26 25.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 11.0 mtp180 -48.78 -40.41 28.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.934 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -63.44 -46.23 87.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 51.5 mt -56.1 -44.55 79.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.44 HD12 ' NE1' ' A' ' 139' ' ' TRP . 55.8 mt -56.6 -49.88 73.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 2.7 mmtp -50.74 -47.01 59.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -68.88 -44.76 72.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -50.29 -42.19 52.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -59.74 -45.47 92.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 38.5 tptt -69.36 -56.77 6.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -48.65 168.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . 0.469 ' HD2' ' N ' ' A' ' 151' ' ' HIS . 10.2 tptt -93.25 134.36 35.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.861 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . 0.469 ' N ' ' HD2' ' A' ' 150' ' ' LYS . 2.1 p80 -128.87 -55.3 1.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 153' ' ' ASP . 19.4 t60 -136.81 177.13 8.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 152' ' ' HIS . 94.3 m-20 -35.91 -47.8 0.54 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 39.6 mmt-85 -67.7 119.1 11.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 144.51 173.36 15.8 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.458 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -105.97 -40.06 5.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.877 0.37 . . . . 0.0 110.875 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 68.23 91.64 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 26.8 t -82.54 47.36 1.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.861 0.362 . . . . 0.0 110.875 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -51.81 -50.78 60.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.094 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . 0.424 ' N ' ' HE2' ' A' ' 160' ' ' LYS . 0.2 OUTLIER -44.39 132.14 6.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.99 165.63 11.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.921 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 52.5 p -70.78 166.9 19.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.846 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -139.28 170.07 16.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.936 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . 0.451 ' CG ' ' N ' ' A' ' 165' ' ' LYS . 57.2 t80 -142.59 161.76 37.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.947 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . 0.451 ' N ' ' CG ' ' A' ' 164' ' ' TYR . 1.3 mppt? -50.17 172.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.858 179.984 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 89.0 mttt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.843 0.354 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -149.25 111.18 4.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.57 143.9 5.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.47 174.5 4.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.043 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -87.55 -33.44 18.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 18.6 m -40.72 -44.97 2.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.176 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 8.2 m95 -112.92 153.17 28.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.431 ' O ' ' C ' ' A' ' 89' ' ' GLN . 23.0 m -96.95 138.37 22.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.123 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 88' ' ' VAL . 29.1 pt20 -35.79 -45.16 0.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.926 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -51.6 -64.8 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.478 ' HG2' ' CD1' ' A' ' 128' ' ' PHE . 62.1 mt-10 -57.27 -60.04 4.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 61.1 m -41.97 -57.08 2.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 7.1 ttm180 -56.76 -45.2 82.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.5 t -56.76 -52.23 65.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 96' ' ' ILE . 22.4 tp -56.19 -62.54 1.64 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.915 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.426 ' C ' ' O ' ' A' ' 95' ' ' LEU . 65.5 mt -36.03 -55.0 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.106 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 10.6 mtp -56.51 -52.1 66.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -52.58 -36.68 56.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.59 ' NH2' ' CZ2' ' A' ' 139' ' ' TRP . 3.6 mmm180 -70.66 -56.9 5.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.86 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -46.65 -47.84 20.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -63.78 -40.1 98.11 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.495 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 40.0 mmm -76.16 -21.02 57.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.772 0.32 . . . . 0.0 110.873 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 104' ' ' GLY . 22.5 t70 -38.03 -53.98 1.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 103' ' ' ASP . . . -35.89 -47.52 0.98 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.513 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.409 HD13 ' CD2' ' A' ' 115' ' ' LEU . 19.4 mt -64.09 -48.97 74.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.835 0.35 . . . . 0.0 110.949 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.565 ' CD2' HD13 ' A' ' 115' ' ' LEU . 75.2 m-85 -53.85 -42.06 68.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -55.4 -50.05 70.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.431 ' O ' ' CG2' ' A' ' 108' ' ' THR . 9.9 t -112.66 84.94 2.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.3 t -174.95 140.33 0.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 20.1 ttpp -73.53 -52.1 14.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 45.4 t -101.34 157.17 16.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.477 ' O ' ' N ' ' A' ' 115' ' ' LEU . 5.4 p30 -127.79 -31.34 2.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.846 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 112' ' ' ASN . 25.2 mmtp -36.91 -44.55 0.51 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.941 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.459 ' CE1' ' HG ' ' A' ' 115' ' ' LEU . 20.7 p-80 -63.78 -42.42 97.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.807 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.565 HD13 ' CD2' ' A' ' 106' ' ' PHE . 72.0 mt -56.34 -44.08 79.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.47 ' CZ3' ' HD3' ' A' ' 99' ' ' ARG . 58.5 m95 -60.77 -48.33 82.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -54.41 -41.61 69.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.939 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -57.63 -55.99 27.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 51.1 mt -51.84 -53.39 17.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.118 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.9 t -49.14 -64.83 0.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 22.8 t -47.07 -41.99 17.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.862 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 123' ' ' MET . 33.1 mtpt -58.72 -66.06 0.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' MET . . . . . 0.407 ' C ' ' O ' ' A' ' 122' ' ' LYS . 35.0 mmm -36.45 -58.02 0.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.404 ' HG3' ' CG ' ' A' ' 129' ' ' ASP . 32.0 ttp180 -47.22 -57.14 5.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -54.8 -42.98 72.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 20.6 mmtt -59.37 -41.63 89.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 155.3 -23.84 0.58 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.471 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.478 ' CD1' ' HG2' ' A' ' 91' ' ' GLU . 49.8 m-85 -98.97 103.58 15.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.855 0.36 . . . . 0.0 110.895 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.404 ' CG ' ' HG3' ' A' ' 124' ' ' ARG . 21.9 t0 -84.07 109.26 17.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -139.52 158.75 43.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.8 m -80.3 160.83 66.98 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.667 0.746 . . . . 0.0 110.868 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -36.09 11.38 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.638 2.225 . . . . 0.0 112.378 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 9.3 p -70.73 -43.39 68.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.134 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 97.7 mmm -51.52 -42.79 61.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 73.2 m -70.2 -42.37 72.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 89.2 m -58.09 -49.34 77.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -67.47 -51.39 51.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 25.8 tptt -51.82 -51.19 58.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . 0.59 ' CZ2' ' NH2' ' A' ' 99' ' ' ARG . 72.6 t-105 -52.67 -55.26 23.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 67.5 mtt-85 -44.66 -46.14 10.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 -59.0 -40.96 86.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 74.2 mt -60.3 -43.77 96.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 36.8 mt -60.42 -37.82 82.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.96 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.24 -46.68 85.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -71.37 -29.27 64.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -72.67 -45.94 56.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -55.38 -53.82 51.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.937 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -93.09 27.88 2.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -66.97 110.7 3.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 44.0 pttt -105.79 178.46 4.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -81.37 84.81 6.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -135.99 141.14 44.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -140.68 150.86 44.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 58.1 mtm180 -151.02 135.11 16.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -115.24 102.74 1.15 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -88.56 -41.71 12.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.802 0.334 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 123.26 176.23 14.76 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.504 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 25.9 t -123.21 85.43 2.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.922 0.391 . . . . 0.0 110.894 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -62.8 -52.52 62.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.101 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -60.99 136.18 58.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 56.5 ttp -131.84 142.71 49.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 2.5 t -73.91 -49.71 23.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.83 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -40.89 131.33 2.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.934 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . 0.476 ' CG ' ' N ' ' A' ' 165' ' ' LYS . 26.3 t80 -140.11 159.5 42.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.933 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . 0.476 ' N ' ' CG ' ' A' ' 164' ' ' TYR . 56.8 mttt -35.91 120.8 0.63 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.903 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.879 179.947 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.4 mptt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.864 0.364 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 17.4 mttm -111.01 127.16 55.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -90.59 87.27 6.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -107.97 87.39 2.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.073 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 38.73 44.34 0.8 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 88.4 m -98.1 146.27 25.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 30.9 m95 -66.75 155.88 36.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.416 ' O ' ' C ' ' A' ' 89' ' ' GLN . 12.0 m -115.1 143.05 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.15 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 88' ' ' VAL . 11.8 tt0 -37.0 -42.74 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.941 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -52.35 -68.1 0.2 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.871 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.521 ' HG2' ' CD1' ' A' ' 128' ' ' PHE . 48.6 mt-10 -54.75 -59.48 4.66 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.7 m -40.0 -51.42 2.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.141 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 3.8 tmm_? -57.19 -56.78 17.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.4 t -50.45 -49.25 55.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 96' ' ' ILE . 20.7 tp -56.57 -67.37 0.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.432 ' C ' ' O ' ' A' ' 95' ' ' LEU . 85.8 mt -35.61 -53.49 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.149 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 24.6 ttm -59.51 -45.91 90.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 3.0 m-30 -55.25 -47.43 75.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.867 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.506 ' HG2' ' CE2' ' A' ' 139' ' ' TRP . 37.5 tpt85 -65.5 -40.82 93.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -62.1 -45.07 95.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -65.03 -44.25 94.63 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.494 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 64.9 mtp -81.07 -11.02 59.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.725 0.297 . . . . 0.0 110.838 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -39.63 -43.87 1.41 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.927 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -47.16 -45.71 20.78 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.46 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.455 ' CB ' HD22 ' A' ' 115' ' ' LEU . 39.5 mt -63.17 -47.08 84.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.85 0.357 . . . . 0.0 110.905 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.532 ' CE2' ' HB2' ' A' ' 112' ' ' ASN . 49.4 m-85 -47.41 -32.55 5.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -70.19 -53.11 18.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 9.6 t -83.08 49.95 1.64 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 8.3 t -170.72 109.56 0.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.853 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.75 -21.04 25.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.2 t -134.48 114.69 13.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.822 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.532 ' HB2' ' CE2' ' A' ' 106' ' ' PHE . 1.8 p30 -88.37 30.1 0.91 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.913 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 52.6 mmtt -61.87 -63.52 1.23 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 49.3 p-80 -54.56 -32.14 57.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.455 HD22 ' CB ' ' A' ' 105' ' ' LEU . 96.1 mt -64.85 -44.88 88.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 12.6 m95 -59.1 -51.46 69.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.47 -34.73 74.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -68.97 -45.64 70.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.922 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 69.6 mt -59.25 -42.88 88.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 63.6 p -59.27 -61.13 2.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 58.8 p -47.69 -49.26 28.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 28.9 mttm -50.67 -42.21 56.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 91.1 mtp -62.48 -41.15 98.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.864 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 17.0 mtm180 -57.21 -47.21 81.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -56.57 -32.54 65.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.472 ' N ' ' HE2' ' A' ' 126' ' ' LYS . 0.4 OUTLIER -77.73 -27.35 50.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.937 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 131.4 -11.34 5.52 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.488 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.521 ' CD1' ' HG2' ' A' ' 91' ' ' GLU . 24.0 m-85 -91.49 107.81 19.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.887 0.375 . . . . 0.0 110.889 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 5.9 p30 -96.53 92.97 6.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -133.51 133.38 42.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.9 m -53.7 161.23 1.69 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.684 0.754 . . . . 0.0 110.828 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -50.77 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.647 2.231 . . . . 0.0 112.33 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -56.46 -37.77 70.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 86.5 mmm -48.7 -58.4 4.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 73.1 m -61.43 -33.47 73.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 40.0 m -61.38 -52.49 64.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.162 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -70.38 -46.71 63.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 39.8 tptt -59.89 -40.06 87.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . 0.506 ' CE2' ' HG2' ' A' ' 99' ' ' ARG . 49.5 t-105 -60.19 -55.0 39.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.942 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 17.0 mtp180 -48.32 -45.5 35.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.896 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 17.2 t30 -61.26 -42.4 98.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.466 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 27.8 mt -55.77 -36.36 67.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.479 HD23 ' CZ2' ' A' ' 139' ' ' TRP . 17.9 mt -69.59 -42.07 74.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.938 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.06 -41.69 99.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -74.95 -39.46 61.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.466 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 3.4 m-85 -59.11 -44.26 91.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -48.37 -42.19 30.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -90.78 28.5 1.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -44.11 154.27 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.79 161.09 23.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . 0.463 ' CD2' ' N ' ' A' ' 151' ' ' HIS . 1.4 p80 -175.0 168.13 3.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 151' ' ' HIS . 30.9 m80 -37.97 108.99 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.97 -44.7 95.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.854 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 52.67 41.61 31.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -163.52 -117.22 0.4 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.506 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 33.0 t-20 -89.43 -41.66 11.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.832 0.349 . . . . 0.0 110.901 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 52.61 -168.83 0.77 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.481 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 86.3 p -119.54 97.35 5.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.881 0.372 . . . . 0.0 110.816 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . 0.423 ' O ' ' C ' ' A' ' 160' ' ' LYS . . . -98.76 -52.58 3.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.181 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 159' ' ' ALA . 26.5 mtmt -36.53 101.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.933 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 3.7 ttm -174.67 121.49 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 68.4 p -169.49 117.44 0.62 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.833 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -65.69 168.77 7.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . 0.424 ' CZ ' ' O ' ' A' ' 165' ' ' LYS . 17.8 t80 -117.52 150.24 39.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.97 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . 0.424 ' O ' ' CZ ' ' A' ' 164' ' ' TYR . 0.0 OUTLIER -107.98 154.27 21.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.884 179.961 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.3 ptmm? . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.852 0.358 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.4 ptmm? -73.59 103.27 4.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -92.9 35.38 1.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.821 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -78.46 -13.32 59.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.093 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -131.64 -33.34 1.43 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 87.6 m -56.25 139.88 46.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.591 ' CD2' ' NH1' ' A' ' 130' ' ' ARG . 15.6 m95 -98.3 153.72 18.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.432 ' O ' ' C ' ' A' ' 89' ' ' GLN . 34.9 m -108.03 149.53 11.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 88' ' ' VAL . 13.2 tt0 -36.07 -55.25 0.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.97 -64.21 0.8 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.454 ' N ' ' OE1' ' A' ' 91' ' ' GLU . 1.4 mp0 -54.33 -61.64 2.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.931 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 89.6 m -39.81 -56.46 1.76 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.142 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -52.56 -44.58 65.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.436 ' O ' ' CD2' ' A' ' 98' ' ' PHE . 2.2 t -61.18 -52.6 64.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.865 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.538 HD23 ' CZ3' ' A' ' 87' ' ' TRP . 12.9 tp -58.09 -46.58 85.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 64.2 mt -56.63 -73.13 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.174 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 11.7 tpp -41.29 -49.98 3.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.436 ' CD2' ' O ' ' A' ' 94' ' ' SER . 3.4 m-85 -48.33 -52.99 19.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.864 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.443 ' NH1' ' OD1' ' A' ' 103' ' ' ASP . 0.1 OUTLIER -55.29 -58.04 9.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.87 -179.907 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.448 ' O ' ' CB ' ' A' ' 103' ' ' ASP . 13.7 mtm180 -44.84 -58.91 2.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.823 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -47.28 -43.38 19.13 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.529 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 77.9 mtp -79.87 -14.03 58.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.84 0.352 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.448 ' CB ' ' O ' ' A' ' 100' ' ' ARG . 22.3 t0 -41.07 -27.48 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -59.46 -43.92 97.1 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.475 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 18.0 mt -68.1 -42.68 79.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.854 0.359 . . . . 0.0 110.928 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.542 ' CZ ' ' HB3' ' A' ' 115' ' ' LEU . 56.8 m-85 -58.46 -37.31 75.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -60.03 -51.3 70.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -113.68 81.11 1.46 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.134 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 43.1 t -157.99 157.98 34.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.18 -7.12 27.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.857 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 73.5 p -149.71 157.28 43.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.426 ' O ' ' C ' ' A' ' 113' ' ' LYS . 2.0 p30 -124.61 -36.29 2.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.915 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 112' ' ' ASN . 39.2 mmtm -34.97 -50.11 0.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.469 ' CG ' ' N ' ' A' ' 115' ' ' LEU . 36.7 p-80 -64.01 -46.29 85.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.853 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.542 ' HB3' ' CZ ' ' A' ' 106' ' ' PHE . 41.7 mt -50.64 -41.22 54.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 48.4 m95 -64.59 -55.65 19.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -47.39 -37.07 10.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -64.06 -53.88 42.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 82.0 mt -48.39 -44.42 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 28.4 t -57.75 -57.23 13.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.808 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 59.7 p -45.82 -50.88 13.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 55.9 mttt -50.88 -55.08 18.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.901 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 34.8 mmm -46.15 -56.28 5.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 54.9 mtt180 -49.57 -38.25 30.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -65.03 -43.08 93.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.471 ' HE3' ' N ' ' A' ' 126' ' ' LYS . 0.1 OUTLIER -69.34 -52.74 24.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.911 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . 0.52 ' O ' ' CD1' ' A' ' 128' ' ' PHE . . . 154.89 34.27 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.498 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.52 ' CD1' ' O ' ' A' ' 127' ' ' GLY . 24.7 m-85 -142.83 105.87 4.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.92 0.391 . . . . 0.0 110.865 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.86 99.99 12.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.591 ' NH1' ' CD2' ' A' ' 87' ' ' TRP . 20.6 mmt85 -140.43 130.62 24.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.5 m -55.5 159.35 4.82 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.648 0.737 . . . . 0.0 110.882 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -45.14 1.66 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.697 2.265 . . . . 0.0 112.308 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -55.43 -42.06 73.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.182 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 61.7 mmm -58.5 -39.44 80.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 77.5 m -68.17 -37.34 80.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.845 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 15.7 m -60.65 -59.97 4.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.199 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -58.36 -45.99 87.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 21.7 tptt -49.02 -46.74 44.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 62.1 t-105 -59.4 -54.93 41.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.976 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.28 -44.51 2.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -63.13 -48.1 79.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 28.4 mt -50.82 -42.66 58.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 18.3 mt -61.59 -49.73 75.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.72 -38.78 61.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.928 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -78.56 -37.74 41.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.856 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -58.71 -43.46 90.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.867 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 66.3 mttt -59.15 -46.68 87.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.872 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 24.9 tptt -97.66 26.03 5.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -55.05 94.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.112 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . 0.442 ' HG3' ' N ' ' A' ' 151' ' ' HIS . 8.4 ttpt -99.93 148.44 24.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.879 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . 0.442 ' N ' ' HG3' ' A' ' 150' ' ' LYS . 1.4 p80 -145.86 171.62 14.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.898 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 20.7 t-80 47.1 46.44 16.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 25.2 p-10 -104.67 151.95 23.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 9.1 ptt180 -77.06 154.1 33.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 140.25 131.83 2.8 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.452 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -96.83 -38.45 9.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.876 0.369 . . . . 0.0 110.879 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 85.12 58.63 2.06 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.515 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 24.0 p -159.7 122.62 3.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.887 0.375 . . . . 0.0 110.832 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -71.58 -58.85 3.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.105 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.39 -62.02 1.36 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' MET . . . . . 0.4 ' O ' ' C ' ' A' ' 162' ' ' SER . 12.2 mmt -140.46 136.3 32.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.837 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 161' ' ' MET . 78.6 p -38.44 125.25 1.34 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -89.73 64.69 6.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -78.46 -6.03 54.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.906 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 19.6 mmmt -101.96 57.9 0.82 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.966 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 40.0 mmtt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.871 0.367 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -85.89 139.7 31.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.879 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 37.8 mtm180 -103.81 110.33 22.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -168.44 -175.44 2.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.1 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -85.89 50.52 1.99 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 4.0 m -98.36 135.37 40.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.144 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 25.3 m95 -64.82 157.58 27.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.445 ' CG2' ' CD ' ' A' ' 91' ' ' GLU . 35.7 m -110.51 176.85 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.47 ' HG2' ' N ' ' A' ' 90' ' ' ASP . 0.3 OUTLIER -64.31 -34.29 77.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.47 ' N ' ' HG2' ' A' ' 89' ' ' GLN . 74.3 m-20 -66.86 -62.76 1.28 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.445 ' CD ' ' CG2' ' A' ' 88' ' ' VAL . 1.2 mp0 -53.72 -56.65 15.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.405 HG23 ' CD1' ' A' ' 96' ' ' ILE . 96.9 m -46.03 -57.13 4.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.173 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.5 ttm180 -49.16 -58.5 4.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.404 ' O ' ' CD2' ' A' ' 98' ' ' PHE . 1.7 t -45.55 -50.62 12.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 96' ' ' ILE . 15.6 tp -62.16 -65.38 0.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 95' ' ' LEU . 98.1 mt -37.43 -47.98 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.12 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 48.4 mtp -63.82 -54.12 39.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.404 ' CD2' ' O ' ' A' ' 94' ' ' SER . 17.5 m-85 -49.02 -42.76 39.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.858 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.561 ' HG2' ' CH2' ' A' ' 139' ' ' TRP . 6.8 tpt180 -66.26 -42.14 88.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 62.8 mtp85 -59.0 -57.55 12.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -53.7 -44.71 69.5 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.555 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.435 ' O ' ' C ' ' A' ' 103' ' ' ASP . 66.4 mtp -73.0 -21.95 60.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.741 0.305 . . . . 0.0 110.877 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 102' ' ' MET . 26.3 t0 -35.39 -52.75 0.64 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 103' ' ' ASP . . . -37.65 -45.24 1.43 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.512 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 57.7 mt -64.41 -46.71 82.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.853 0.359 . . . . 0.0 110.9 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.494 ' CD2' HD13 ' A' ' 115' ' ' LEU . 69.9 m-85 -55.72 -46.37 77.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.906 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 58.3 m-80 -52.83 -50.56 63.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.855 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.7 t -118.6 87.93 2.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 47.6 t -172.73 143.49 1.28 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 7.2 tptm -80.62 -47.08 14.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.946 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 33.3 t -94.81 143.97 26.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 115' ' ' LEU . 1.0 OUTLIER -121.16 -43.78 2.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.901 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -41.22 -38.44 1.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.51 ' CE1' ' HG ' ' A' ' 115' ' ' LEU . 9.3 p-80 -63.89 -38.51 91.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.886 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.51 ' HG ' ' CE1' ' A' ' 114' ' ' HIS . 96.1 mt -62.97 -40.05 96.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 27.2 m95 -61.31 -58.75 7.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -52.34 -31.6 34.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -66.68 -48.02 70.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 96.2 mt -55.28 -50.42 64.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 60.3 p -54.79 -46.63 74.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 57.8 m -59.04 -49.29 78.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 28.2 mttm -54.91 -50.97 67.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 35.1 mmm -49.33 -53.84 20.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 3.5 mtp-105 -52.52 -38.53 59.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -62.88 -40.5 97.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.46 ' HE2' ' N ' ' A' ' 126' ' ' LYS . 0.6 OUTLIER -72.48 -40.84 66.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.911 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 142.11 38.84 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.474 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -143.17 110.07 5.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.833 0.349 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -96.15 94.23 7.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 17.2 mmt180 -135.16 132.69 38.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.1 m -52.91 160.43 1.49 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.673 0.749 . . . . 0.0 110.829 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -49.73 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.638 2.226 . . . . 0.0 112.325 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -57.43 -38.14 73.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.173 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 92.4 mmm -50.72 -50.41 55.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 97.5 m -67.9 -31.27 70.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 19.0 m -64.12 -48.95 74.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -71.71 -47.81 51.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 25.2 tptt -59.72 -40.55 88.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . 0.561 ' CH2' ' HG2' ' A' ' 99' ' ' ARG . 45.8 t-105 -60.16 -54.91 40.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.929 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -48.87 -43.01 38.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -63.58 -42.2 98.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.495 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 29.8 mt -55.72 -35.39 66.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.517 HD22 ' CZ2' ' A' ' 139' ' ' TRP . 27.8 mt -69.3 -50.34 47.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.85 -41.18 73.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -74.27 -44.13 54.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.495 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 3.8 m-85 -53.48 -44.43 68.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -49.09 -29.37 5.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -54.7 -40.1 68.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -57.79 178.46 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.069 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.01 -37.2 11.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . 0.445 ' O ' ' CD2' ' A' ' 151' ' ' HIS . 0.1 OUTLIER -162.85 150.54 13.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 179.874 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -173.77 107.55 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -170.4 106.63 0.31 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.94 -59.14 4.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -166.03 173.94 41.61 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.472 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -66.24 -41.85 89.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.862 0.363 . . . . 0.0 110.88 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 101.42 -62.52 0.55 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 4.7 t 52.32 42.23 30.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.813 0.34 . . . . 0.0 110.853 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -46.73 -54.17 10.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.098 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 18.4 tptt 66.17 41.82 3.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 34.2 tpp -76.1 142.78 41.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 14.9 t -128.78 119.28 24.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -169.46 122.81 0.77 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.97 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . 0.489 ' CG ' ' N ' ' A' ' 165' ' ' LYS . 64.0 t80 -152.22 162.98 40.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . 0.489 ' N ' ' CG ' ' A' ' 164' ' ' TYR . 39.9 tttp -42.3 150.92 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.919 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . 0.414 ' N ' ' HG2' ' A' ' 165' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.415 ' HD2' ' C ' ' A' ' 81' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.842 0.353 . . . . 0.0 110.89 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.21 -176.17 3.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 -94.23 50.14 1.36 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.26 155.86 6.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.063 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -104.6 -31.62 9.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 17.6 m -69.87 -50.04 46.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.145 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.446 ' CZ3' HD22 ' A' ' 95' ' ' LEU . 18.8 m95 -113.96 144.07 43.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.417 ' O ' ' C ' ' A' ' 89' ' ' GLN . 21.4 m -104.2 155.7 5.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.139 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.442 ' NE2' ' HA ' ' A' ' 90' ' ' ASP . 1.6 tm0? -37.04 -53.92 0.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.9 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.442 ' HA ' ' NE2' ' A' ' 89' ' ' GLN . 8.0 m-20 -52.81 -69.94 0.1 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.845 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -41.98 -48.97 4.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 98.7 m -61.18 -37.57 83.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.151 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 -69.13 -45.98 68.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.845 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 t -59.97 -48.11 83.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.446 HD22 ' CZ3' ' A' ' 87' ' ' TRP . 16.4 tp -55.5 -67.83 0.25 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 98.6 mt -37.71 -53.39 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 30.8 tpp -48.98 -60.37 2.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.497 ' CE1' ' HE2' ' A' ' 122' ' ' LYS . 39.2 m-85 -51.52 -40.93 60.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.858 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.544 ' HG2' ' CZ3' ' A' ' 139' ' ' TRP . 37.3 tpt85 -61.3 -36.2 79.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 27.4 mtt180 -72.67 -48.37 39.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -63.68 -20.94 64.53 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.519 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 45.1 mtp -102.69 -11.62 18.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.8 0.333 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 104' ' ' GLY . 0.4 OUTLIER -40.62 -43.26 1.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.813 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.421 ' N ' ' OD1' ' A' ' 103' ' ' ASP . . . -44.47 -42.43 7.24 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.461 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 38.5 mt -72.81 -35.63 67.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.786 0.327 . . . . 0.0 110.875 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.551 ' CE2' ' HB3' ' A' ' 112' ' ' ASN . 72.5 m-85 -70.13 -28.25 65.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -54.99 -53.64 53.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.414 ' O ' ' CG2' ' A' ' 108' ' ' THR . 9.5 t -121.34 99.51 6.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.17 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.1 t -170.24 123.8 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.47 -13.67 9.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.898 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 20.8 p -168.98 122.05 0.8 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.551 ' HB3' ' CE2' ' A' ' 106' ' ' PHE . 1.1 m120 -88.56 34.84 0.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.37 -65.43 0.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.938 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.531 ' CE1' ' HG ' ' A' ' 115' ' ' LEU . 22.9 p-80 -51.29 -26.84 8.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.839 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.531 ' HG ' ' CE1' ' A' ' 114' ' ' HIS . 72.9 mt -71.25 -50.58 31.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 9.7 m95 -54.95 -52.3 63.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -61.67 -32.69 72.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -66.57 -46.38 76.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 83.2 mt -58.76 -46.65 90.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.109 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 26.4 p -54.82 -59.52 4.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.798 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 43.5 m -45.18 -51.84 10.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.852 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.497 ' HE2' ' CE1' ' A' ' 98' ' ' PHE . 30.5 mtpt -49.76 -67.29 0.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' MET . . . . . 0.431 ' C ' ' O ' ' A' ' 122' ' ' LYS . 32.9 mmm -34.51 -54.48 0.53 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 14.7 ttt180 -50.39 -50.85 50.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -54.99 -39.96 69.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.96 -37.52 75.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 146.86 -10.49 1.4 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -99.3 103.52 15.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.83 0.348 . . . . 0.0 110.898 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' A' ' 129' ' ' ASP . 1.9 p30 -90.2 102.31 15.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 43.0 mmt-85 -141.33 145.98 36.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.4 m -69.9 160.39 80.4 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.671 0.748 . . . . 0.0 110.87 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 -41.17 4.56 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.672 2.248 . . . . 0.0 112.404 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.13 -37.38 74.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' MET . . . . . 0.402 ' CE ' ' HA ' ' A' ' 134' ' ' MET . 1.7 mmt -58.63 -46.97 85.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 70.9 m -62.69 -38.42 90.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 78.5 m -62.45 -59.58 4.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.161 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -61.82 -46.34 89.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 35.5 tptt -56.47 -47.46 79.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . 0.544 ' CZ3' ' HG2' ' A' ' 99' ' ' ARG . 71.3 t-105 -54.04 -49.5 68.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.941 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -51.52 -48.32 63.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -56.94 -43.51 81.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 45.8 mt -56.33 -42.27 77.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 34.1 mt -60.99 -44.66 97.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.34 -47.79 69.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -71.9 -45.07 62.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.833 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -49.96 -34.41 20.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 17.0 tttt -76.95 -40.13 48.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 38.8 mmtt -64.76 -39.86 94.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -83.38 -175.1 5.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.089 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.29 172.32 6.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -74.77 167.45 21.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.829 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 20.8 m80 -148.06 115.97 6.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 22.2 p-10 -95.92 91.54 6.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 55.3 ttm-85 -138.06 154.47 49.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -174.49 108.3 0.26 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.485 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 38.2 t-20 -89.69 -41.39 11.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.88 0.371 . . . . 0.0 110.852 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 59.99 -169.05 7.68 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.482 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 4.1 m -115.76 87.44 2.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.889 0.376 . . . . 0.0 110.859 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 160' ' ' LYS . . . -94.18 -41.96 9.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.106 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 159' ' ' ALA . 75.3 mttt -35.73 -62.29 0.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -171.07 176.09 4.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 41.1 t -120.63 -55.08 2.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -85.21 136.21 33.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . 0.412 ' C ' ' HD3' ' A' ' 165' ' ' LYS . 0.1 OUTLIER -92.8 -10.51 36.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.924 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . 0.412 ' HD3' ' C ' ' A' ' 164' ' ' TYR . 0.0 OUTLIER -143.44 172.04 13.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.87 179.914 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.919 179.961 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.826 0.346 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 26.6 mtmm -72.4 155.83 39.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 51.3 mmt-85 -59.55 100.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.53 102.15 14.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -73.81 100.42 3.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.892 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 22.3 m -133.64 -40.26 0.88 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.55 ' CZ3' HD22 ' A' ' 95' ' ' LEU . 14.5 m95 -103.04 143.68 32.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.8 m -97.15 165.99 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.17 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 26.9 pt20 -54.46 -45.04 73.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.931 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -51.49 -65.68 0.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.449 ' HG2' ' CD1' ' A' ' 128' ' ' PHE . 73.5 mt-10 -59.18 -62.74 1.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 91' ' ' GLU . 85.3 m -36.88 -50.89 0.88 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.164 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.8 ttt85 -59.21 -51.28 70.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.3 t -54.23 -54.38 40.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.843 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.55 HD22 ' CZ3' ' A' ' 87' ' ' TRP . 18.5 tp -51.6 -64.73 0.72 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 66.8 mt -42.69 -44.05 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 9.5 mmt -61.02 -59.16 5.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.876 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -46.76 -39.58 11.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.547 ' HG3' ' CE3' ' A' ' 139' ' ' TRP . 4.0 mmm180 -68.13 -40.51 82.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 28.2 mtp85 -68.23 -42.21 80.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -66.98 -40.13 93.34 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.503 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 54.0 mtp -88.14 -8.94 54.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.772 0.32 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.27 -45.48 2.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -38.75 -45.8 2.1 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.476 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.43 ' CB ' HD21 ' A' ' 115' ' ' LEU . 60.1 mt -66.25 -49.84 65.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.884 0.373 . . . . 0.0 110.942 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.54 ' CE2' ' HB3' ' A' ' 112' ' ' ASN . 81.9 m-85 -52.98 -41.73 64.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.855 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -47.66 -46.1 28.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.92 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.5 t -118.53 83.17 1.97 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.123 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 6.1 t -174.63 126.63 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.42 ' HD2' ' C ' ' A' ' 110' ' ' LYS . 3.3 tmmm? -65.4 -53.73 38.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.42 ' N ' ' HD2' ' A' ' 110' ' ' LYS . 47.2 t -113.94 118.65 34.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.834 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.54 ' HB3' ' CE2' ' A' ' 106' ' ' PHE . 13.3 m-20 -90.37 31.64 1.0 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.919 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 41.6 tttt -67.11 -53.52 29.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 48.3 p-80 -58.19 -38.26 76.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.858 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.446 HD12 ' CD2' ' A' ' 106' ' ' PHE . 55.9 mt -62.58 -42.1 99.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.878 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.426 ' CD1' ' O ' ' A' ' 112' ' ' ASN . 19.0 m95 -59.3 -57.58 12.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -52.21 -34.48 45.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -70.65 -56.47 6.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.959 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 67.6 mt -51.32 -58.26 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.159 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -52.21 -52.83 49.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 6.0 m -51.03 -49.82 59.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 29.8 mtpt -53.35 -46.79 69.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.914 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 36.2 mmm -51.55 -51.33 56.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 13.7 mtt-85 -54.25 -40.51 67.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -63.9 -40.15 95.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.469 ' N ' ' HE2' ' A' ' 126' ' ' LYS . 0.5 OUTLIER -69.49 -28.57 66.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.902 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 135.8 -10.3 4.25 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.474 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.449 ' CD1' ' HG2' ' A' ' 91' ' ' GLU . 22.8 m-85 -97.31 105.91 18.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.88 0.371 . . . . 0.0 110.879 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -95.21 97.66 10.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -135.38 133.76 39.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 6.7 m -51.24 152.48 4.14 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.628 0.728 . . . . 0.0 110.854 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -36.79 10.12 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.65 2.233 . . . . 0.0 112.39 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -63.36 -36.78 84.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 76.3 mmm -59.49 -47.77 84.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 47.7 m -61.65 -38.11 86.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 84.9 m -61.3 -61.14 2.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.171 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -61.53 -44.13 97.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 38.8 tptt -51.9 -47.15 64.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . 0.547 ' CE3' ' HG3' ' A' ' 99' ' ' ARG . 64.8 t-105 -58.68 -53.28 60.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.922 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.99 -46.98 5.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 33.5 t30 -61.05 -45.65 93.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.546 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 40.2 mt -52.68 -35.93 56.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 33.4 mt -69.52 -44.86 70.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 25.1 tptp -61.14 -43.58 98.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.907 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -73.08 -42.4 63.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.546 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 3.1 m-85 -53.7 -42.7 68.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -66.62 -60.64 2.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.927 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp -84.79 27.61 0.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -61.26 125.23 23.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 151' ' ' HIS . 32.9 tttm -43.04 167.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . 0.445 ' C ' ' O ' ' A' ' 150' ' ' LYS . 0.3 OUTLIER -34.0 140.55 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.884 179.898 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 18.3 m170 -46.55 162.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 63.08 43.41 6.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 19.4 ptt180 -82.64 163.66 21.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -68.39 165.18 47.16 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.505 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -99.47 -41.81 7.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.873 0.368 . . . . 0.0 110.909 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 158.31 -152.19 23.33 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.487 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 1.1 t -85.63 155.0 21.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.904 0.383 . . . . 0.0 110.859 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -98.68 -43.83 6.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.121 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 15.0 ttpt -37.24 145.65 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 6.4 ttt -144.45 132.01 21.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 93.2 p -43.44 116.77 0.99 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.857 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -168.8 135.92 1.91 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -114.68 123.67 49.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.924 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.31 138.78 31.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 179.962 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.462 ' HE3' ' N ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.842 0.353 . . . . 0.0 110.907 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -72.51 146.99 46.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -49.8 118.01 2.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -98.75 117.76 33.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.095 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -99.14 99.77 10.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 31.9 p -124.83 -44.0 1.96 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.567 ' CZ2' ' HD3' ' A' ' 130' ' ' ARG . 14.5 m95 -116.38 155.33 28.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.452 ' O ' ' C ' ' A' ' 89' ' ' GLN . 34.7 m -104.11 138.04 30.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.164 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.452 ' C ' ' O ' ' A' ' 88' ' ' VAL . 11.7 pt20 -34.07 -40.84 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.446 ' N ' ' HG3' ' A' ' 89' ' ' GLN . 3.4 m-20 -58.94 -62.56 1.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.568 ' HG2' ' CD1' ' A' ' 128' ' ' PHE . 40.7 mt-10 -61.17 -47.01 88.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 66.6 m -53.77 -48.85 69.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 16.5 ttm-85 -67.44 -43.57 80.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.438 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 88.3 p -57.33 -35.29 69.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 23.1 tp -73.69 -60.82 2.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.947 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 62.0 mt -38.34 -47.5 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 86.0 mmm -64.73 -51.11 64.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.438 ' CD1' ' O ' ' A' ' 94' ' ' SER . 3.2 m-85 -49.75 -48.0 50.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.647 ' NH1' ' CZ ' ' A' ' 106' ' ' PHE . 6.0 mmm180 -60.88 -57.9 10.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.843 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 40.8 mtp85 -39.34 -44.13 1.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -71.18 -42.38 58.17 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.531 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.452 ' O ' ' C ' ' A' ' 103' ' ' ASP . 72.8 mmm -69.33 -22.61 63.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.807 0.336 . . . . 0.0 110.9 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 102' ' ' MET . 2.7 t0 -34.04 -46.95 0.25 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -54.97 -56.86 20.96 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.471 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.478 ' O ' ' CB ' ' A' ' 109' ' ' SER . 40.2 mt -49.18 -36.49 19.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.876 0.37 . . . . 0.0 110.927 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.647 ' CZ ' ' NH1' ' A' ' 99' ' ' ARG . 71.7 m-85 -64.82 -34.08 77.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -83.26 -54.6 4.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.452 HG22 ' N ' ' A' ' 109' ' ' SER . 9.7 t -66.21 -33.51 75.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.15 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 105' ' ' LEU . 1.0 OUTLIER -103.6 124.0 48.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.854 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 15.3 tptm -61.58 -47.0 87.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 37.4 p -70.63 136.73 49.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -116.84 -35.15 4.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 43.8 mmtt -44.91 -49.45 11.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.555 ' CE1' ' HG ' ' A' ' 115' ' ' LEU . 16.8 p-80 -58.92 -37.5 76.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.556 HD13 ' CD1' ' A' ' 106' ' ' PHE . 88.1 mt -63.1 -42.69 99.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.909 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.562 ' CH2' ' HA ' ' A' ' 136' ' ' THR . 21.4 m95 -57.52 -58.89 6.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.949 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.448 ' HG3' ' N ' ' A' ' 118' ' ' GLN . 8.1 pt-20 -51.3 -35.47 37.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.448 ' N ' ' HG3' ' A' ' 117' ' ' GLU . 18.2 mt-30 -61.75 -43.59 98.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.883 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 80.9 mt -59.81 -50.96 78.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 13.7 t -55.06 -56.58 18.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.817 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 23.0 t -53.13 -45.43 68.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 44.8 mttm -60.34 -54.34 46.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 37.2 mmm -46.26 -57.16 4.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.842 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 24.0 ttp180 -48.35 -48.41 36.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -56.35 -43.1 78.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.856 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.421 ' N ' ' HE2' ' A' ' 126' ' ' LYS . 0.0 OUTLIER -67.48 -48.91 65.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 150.7 34.33 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.521 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.568 ' CD1' ' HG2' ' A' ' 91' ' ' GLU . 43.3 m-85 -142.15 105.13 4.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.866 0.365 . . . . 0.0 110.869 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -89.87 95.7 10.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.567 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 6.9 mmp_? -139.77 130.09 25.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 19.4 m -52.6 152.8 6.18 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.664 0.745 . . . . 0.0 110.824 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -34.69 14.07 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.704 2.269 . . . . 0.0 112.32 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 1.6 p -67.15 -39.3 86.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.179 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 72.5 mmm -57.38 -39.29 75.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 56.8 m -70.34 -40.48 74.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' THR . . . . . 0.562 ' HA ' ' CH2' ' A' ' 116' ' ' TRP . 52.7 m -56.29 -52.43 64.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.157 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -67.57 -44.04 79.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 44.9 tptt -56.96 -46.54 82.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 72.5 t-105 -57.69 -50.37 73.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 27.6 mtp180 -51.72 -45.0 63.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -58.63 -43.06 89.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.441 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 87.3 mt -58.18 -41.98 85.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 41.0 mt -60.68 -40.8 93.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.939 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.08 -51.93 65.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -65.68 -36.43 83.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.441 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 5.8 m-85 -57.0 -40.73 77.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -60.67 -63.65 1.22 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 7.2 ptmm? -56.75 -41.62 77.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.914 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -71.58 174.61 6.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -63.09 171.32 2.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -83.44 168.86 16.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.838 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 17.4 t60 -125.11 145.16 50.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -60.01 147.85 37.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.861 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -85.59 178.55 7.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -110.11 154.6 16.5 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.501 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 18.2 p-10 -103.98 17.75 23.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.853 0.358 . . . . 0.0 110.879 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -95.05 145.5 17.75 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.498 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 46.4 t -123.1 124.21 42.58 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.878 0.371 . . . . 0.0 110.89 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -82.71 -53.84 5.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -40.68 108.12 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.927 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 5.0 ptm -111.61 175.47 5.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 11.7 t -57.41 95.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.829 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -100.71 148.28 25.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . 0.636 ' C ' ' CD1' ' A' ' 164' ' ' TYR . 0.2 OUTLIER -116.56 149.96 38.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.894 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -175.41 138.37 0.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.872 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.963 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.423 ' HE3' ' N ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.85 0.357 . . . . 0.0 110.916 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 17.4 mtmm -158.59 161.01 37.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.3 mtp85 -85.81 79.14 9.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -172.65 -175.92 1.4 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.104 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -69.19 86.85 0.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 22.7 m -130.16 156.5 44.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 42.5 m95 -61.22 150.7 33.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.422 ' O ' ' C ' ' A' ' 89' ' ' GLN . 5.8 m -106.31 143.81 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 88' ' ' VAL . 31.2 tt0 -36.77 -52.5 0.91 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.96 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -47.08 -67.84 0.24 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.446 ' HG2' ' CD1' ' A' ' 128' ' ' PHE . 48.0 mt-10 -52.59 -60.44 3.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.906 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 15.4 m -40.73 -49.35 3.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.133 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.6 -52.86 63.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.1 t -54.83 -42.88 72.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 14.2 tp -63.6 -63.29 1.22 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 69.2 mt -42.77 -44.77 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 6.5 tpt -63.32 -60.81 2.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -46.21 -43.68 15.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.635 ' NH1' ' CZ ' ' A' ' 106' ' ' PHE . 10.8 tpt180 -61.69 -42.86 99.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.864 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 28.1 mtt-85 -65.31 -54.17 32.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -56.55 -24.03 45.32 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.486 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 46.9 mtp -97.41 -12.93 22.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.78 0.324 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.412 ' OD1' ' C ' ' A' ' 103' ' ' ASP . 0.1 OUTLIER -40.77 -44.96 2.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.896 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.411 ' N ' ' OD1' ' A' ' 103' ' ' ASP . . . -37.76 -48.58 1.87 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.476 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.411 ' CB ' HD23 ' A' ' 115' ' ' LEU . 23.1 mt -63.82 -56.05 18.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.841 0.353 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.635 ' CZ ' ' NH1' ' A' ' 99' ' ' ARG . 79.5 m-85 -47.45 -47.89 26.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 14.4 m-20 -45.1 -38.25 4.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.2 t -148.05 106.0 3.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.185 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 10.8 t -167.76 142.28 3.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 10.3 tptp -54.71 -49.15 71.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 4.2 t -126.98 177.63 6.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.436 ' O ' ' N ' ' A' ' 115' ' ' LEU . 1.0 OUTLIER -129.47 -39.01 1.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -38.34 -46.53 1.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.566 ' CE1' ' HG ' ' A' ' 115' ' ' LEU . 27.5 p-80 -60.45 -42.63 96.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.566 ' HG ' ' CE1' ' A' ' 114' ' ' HIS . 90.3 mt -56.48 -46.52 80.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.947 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.602 ' CZ2' ' NH1' ' A' ' 99' ' ' ARG . 77.6 m95 -57.41 -46.57 83.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.932 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -53.51 -41.38 66.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -61.5 -48.74 79.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.935 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 88.0 mt -57.37 -55.3 21.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 76.8 p -48.51 -53.41 18.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.824 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 31.2 t -51.99 -57.93 8.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 16.2 mttm -45.62 -63.74 0.89 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 34.4 mmm -39.71 -57.05 1.6 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 30.3 mtm180 -44.95 -42.59 8.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -69.01 -48.24 63.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.859 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.47 ' HD2' ' N ' ' A' ' 126' ' ' LYS . 7.6 mmmt -52.33 -39.34 60.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 136.02 30.01 0.33 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.508 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.446 ' CD1' ' HG2' ' A' ' 91' ' ' GLU . 27.8 m-85 -140.44 106.57 5.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.846 0.355 . . . . 0.0 110.909 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -87.83 103.67 15.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 10.2 mmp_? -142.07 130.6 22.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 6.4 m -50.65 156.49 1.56 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.635 0.731 . . . . 0.0 110.847 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -50.77 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.651 2.234 . . . . 0.0 112.333 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -56.52 -34.93 67.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.161 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 79.6 mmm -54.14 -54.93 32.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 99.6 m -60.29 -36.53 78.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.848 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 5.4 m -59.26 -54.71 43.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -66.21 -50.14 64.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 24.4 tptt -51.87 -43.89 63.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . 0.552 ' CZ3' ' HG2' ' A' ' 99' ' ' ARG . 73.0 t-105 -58.5 -54.0 52.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 18.7 mtp85 -46.43 -44.07 16.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -63.58 -39.43 94.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.591 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 32.1 mt -60.59 -31.53 70.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 26.6 mt -74.73 -38.89 62.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 18.3 tptp -69.54 -28.05 65.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.896 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . 0.536 ' OE2' ' CG ' ' A' ' 146' ' ' PHE . 2.0 pp20? -91.75 -34.56 14.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.591 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 2.6 m-85 -59.11 -46.26 88.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.402 ' CG ' ' H ' ' A' ' 148' ' ' LYS . 8.6 ptmm? -68.08 -56.82 7.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . 0.402 ' H ' ' CG ' ' A' ' 147' ' ' LYS . 0.3 OUTLIER -84.42 28.99 0.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.946 179.856 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -51.64 -175.0 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 9.3 ptmt -71.48 66.96 0.5 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.895 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . 0.45 ' O ' ' C ' ' A' ' 152' ' ' HIS . 9.3 m170 -133.87 178.23 7.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . 0.45 ' C ' ' O ' ' A' ' 151' ' ' HIS . 0.2 OUTLIER -34.45 102.82 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.813 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 6.4 p30 -173.93 176.27 2.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 32.1 ttp180 -113.61 128.83 56.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 172.92 111.9 0.27 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.435 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -99.19 -41.19 7.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.876 0.37 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 98.28 -138.11 13.68 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.544 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 31.4 p -161.97 160.63 27.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.872 0.368 . . . . 0.0 110.831 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -95.92 -60.88 1.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.083 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -45.79 130.59 9.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 30.7 mtm -114.12 -61.46 1.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' SER . . . . . 0.455 ' O ' ' CG ' ' A' ' 163' ' ' TYR . 4.4 t -170.86 169.95 6.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' TYR . . . . . 0.455 ' CG ' ' O ' ' A' ' 162' ' ' SER . 21.4 m-85 -164.51 108.23 0.92 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -109.45 -10.1 14.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.939 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 18.2 tttm -96.83 151.96 19.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.88 179.936 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.854 0.359 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 21.8 mmmt -106.62 92.96 4.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 4.8 tpp85 -62.07 124.43 20.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -114.04 129.53 56.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.09 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -101.85 -33.94 9.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.9 m -48.82 -53.44 19.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.103 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 20.2 m95 -109.5 121.75 45.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 32.6 m -73.34 157.57 6.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -50.62 -50.8 53.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.18 -66.44 0.39 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.505 ' HG2' ' CD1' ' A' ' 128' ' ' PHE . 48.9 mt-10 -51.24 -59.39 4.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 59.8 m -42.35 -55.16 3.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.149 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -61.12 -44.59 97.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.821 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.52 ' O ' ' CD2' ' A' ' 98' ' ' PHE . 47.7 m -55.25 -45.29 76.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 96' ' ' ILE . 24.2 tp -63.21 -65.0 0.75 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.869 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.416 ' C ' ' O ' ' A' ' 95' ' ' LEU . 60.8 mt -36.68 -59.44 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 8.5 tpt -51.29 -57.21 9.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.52 ' CD2' ' O ' ' A' ' 94' ' ' SER . 13.0 m-85 -45.95 -41.59 11.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.525 ' HG2' ' CH2' ' A' ' 139' ' ' TRP . 36.7 tpt85 -66.88 -40.33 87.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.875 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 -57.24 -43.35 82.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -70.8 -42.24 61.58 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.513 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 72.6 mmm -70.14 -21.8 63.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.825 0.345 . . . . 0.0 110.926 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -40.96 -55.6 2.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.826 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -40.3 -47.82 3.62 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.492 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 54.0 mt -57.25 -54.68 44.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.883 0.373 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.478 ' CG ' HD12 ' A' ' 115' ' ' LEU . 75.5 m-85 -44.59 -38.64 4.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -75.12 -49.54 19.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.3 t -91.29 34.52 0.94 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 7.5 p -151.18 134.21 15.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.873 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 26.5 tptt -72.56 -43.43 63.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.1 t -95.51 142.48 27.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.497 ' O ' ' N ' ' A' ' 115' ' ' LEU . 13.2 p-10 -115.46 -38.22 3.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 112' ' ' ASN . 14.1 mmtm -37.17 -44.99 0.59 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.535 ' CE1' ' HG ' ' A' ' 115' ' ' LEU . 8.0 p-80 -61.36 -41.26 96.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.871 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.535 ' HG ' ' CE1' ' A' ' 114' ' ' HIS . 89.7 mt -59.77 -36.73 77.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.942 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 13.4 m95 -64.14 -57.27 10.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.935 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.418 ' CG ' ' O ' ' A' ' 114' ' ' HIS . 8.6 pt-20 -52.75 -29.39 26.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.855 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -70.13 -45.91 65.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.96 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 65.3 mt -57.68 -46.02 86.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 59.8 p -57.48 -54.04 51.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 64.8 m -49.42 -50.45 40.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 33.9 mttm -50.35 -60.72 2.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 39.6 mmm -42.22 -63.28 0.77 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.872 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.472 ' HD3' ' CB ' ' A' ' 129' ' ' ASP . 2.7 mmm180 -39.13 -45.57 1.32 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.813 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -65.37 -51.79 58.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.44 -46.41 73.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . 0.445 ' O ' ' CD1' ' A' ' 128' ' ' PHE . . . 144.11 32.58 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.498 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.505 ' CD1' ' HG2' ' A' ' 91' ' ' GLU . 31.1 m-85 -143.53 105.58 4.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.824 0.345 . . . . 0.0 110.855 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.472 ' CB ' ' HD3' ' A' ' 124' ' ' ARG . 15.0 p-10 -85.02 98.59 10.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.45 ' HA ' ' NE ' ' A' ' 130' ' ' ARG . 4.8 mmp_? -136.1 125.62 25.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.3 m -54.95 160.03 3.31 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.69 0.757 . . . . 0.0 110.866 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -50.88 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.669 2.246 . . . . 0.0 112.339 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 1.2 p -51.44 -45.57 62.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.183 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 98.1 mmm -50.97 -46.19 61.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 96.7 m -64.72 -39.63 93.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 86.4 m -59.32 -56.68 18.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.171 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -62.93 -56.04 20.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 25.5 tptt -47.83 -49.79 28.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . 0.525 ' CH2' ' HG2' ' A' ' 99' ' ' ARG . 68.9 t-105 -52.34 -55.13 23.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.927 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . 0.42 ' NH1' ' HB3' ' A' ' 140' ' ' ARG . 6.3 mtp-105 -47.2 -44.21 22.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.861 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -60.62 -41.85 95.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.589 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 51.0 mt -58.36 -33.9 70.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.94 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 23.5 mt -69.28 -44.52 71.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.86 -42.86 94.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . 0.482 ' OE2' ' CG ' ' A' ' 146' ' ' PHE . 3.1 pp20? -73.26 -34.42 65.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.589 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 2.4 m-85 -62.58 -40.55 97.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -58.25 -52.6 64.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 23.0 mttm -41.43 -52.41 3.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 150' ' ' LYS . . . -44.91 170.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.086 179.783 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 149' ' ' ALA . 17.4 pttp -34.69 -42.83 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . 0.419 ' C ' ' O ' ' A' ' 150' ' ' LYS . 13.8 m-70 -36.92 109.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.888 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -97.25 149.37 22.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.863 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -160.43 122.57 3.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 7.2 mmm180 -95.6 166.19 11.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -133.41 175.23 20.3 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.47 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 26.1 m120 -106.48 -41.56 5.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.849 0.357 . . . . 0.0 110.917 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 66.04 -176.03 17.71 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.473 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 48.9 m -139.78 115.27 9.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.866 0.365 . . . . 0.0 110.927 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -100.43 -44.19 5.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.126 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 5.2 ttpm? -39.3 143.24 0.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.868 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 44.3 mtt -123.28 162.53 22.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' SER . . . . . 0.429 ' O ' ' CG ' ' A' ' 163' ' ' TYR . 24.4 p -113.59 165.9 12.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.849 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' TYR . . . . . 0.429 ' CG ' ' O ' ' A' ' 162' ' ' SER . 7.9 m-85 -170.16 154.71 5.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . 0.648 ' CD1' ' C ' ' A' ' 164' ' ' TYR . 0.0 OUTLIER -172.42 154.41 3.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.984 -179.923 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . 0.51 ' N ' ' CD1' ' A' ' 164' ' ' TYR . 5.8 tptp -173.14 132.9 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.986 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 35.7 mtpt . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.867 0.365 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.4 mtpp -81.98 87.27 6.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.464 ' CZ ' ' HB2' ' A' ' 83' ' ' ARG . 23.0 mtm105 -109.15 155.36 21.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.829 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -117.11 36.42 4.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.108 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -75.61 86.94 2.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -128.01 -38.97 1.79 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.159 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 14.8 m95 -101.88 157.5 16.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 13.9 m -108.78 150.45 11.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.099 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -37.12 -53.56 1.01 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -48.92 -60.28 2.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -63.37 -62.14 1.88 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.5 m -40.33 -56.1 2.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.137 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.87 -47.47 71.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.8 t -54.14 -49.72 68.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.8 tp -63.05 -62.35 1.77 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 63.4 mt -39.71 -63.88 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.181 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 11.7 tpt -44.68 -59.18 2.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -47.22 -44.36 22.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.511 ' HG2' ' CE2' ' A' ' 139' ' ' TRP . 29.8 tpt85 -63.78 -51.23 65.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.847 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 57.1 mtp85 -47.46 -35.06 8.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -75.59 -48.63 10.17 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.491 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 69.4 mmm -69.45 -10.78 59.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.78 0.324 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 104' ' ' GLY . 5.0 t0 -43.82 -59.82 2.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 103' ' ' ASP . . . -35.86 -36.94 0.14 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.479 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.465 HD13 ' CD2' ' A' ' 115' ' ' LEU . 18.8 mt -72.77 -59.03 2.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.813 0.339 . . . . 0.0 110.912 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.441 ' CE2' ' HB2' ' A' ' 112' ' ' ASN . 71.3 m-85 -40.49 -45.04 2.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -48.23 -53.86 15.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 6.1 t -109.09 80.67 1.34 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.119 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.8 t -174.56 120.13 0.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.86 -67.29 0.28 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.931 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 14.7 m -113.45 132.32 55.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.441 ' HB2' ' CE2' ' A' ' 106' ' ' PHE . 3.6 p30 -86.45 22.29 1.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.63 -68.54 0.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.42 ' CE1' ' HG ' ' A' ' 115' ' ' LEU . 42.4 p-80 -51.41 -40.11 58.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.465 ' CD2' HD13 ' A' ' 105' ' ' LEU . 97.6 mt -56.05 -53.79 52.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.567 ' CZ2' ' HA ' ' A' ' 136' ' ' THR . 37.3 m95 -52.33 -47.47 66.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -50.62 -47.26 58.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.83 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -58.58 -58.25 9.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 79.3 mt -52.95 -62.63 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -46.12 -54.1 9.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 47.6 t -50.01 -57.01 8.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.804 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.407 ' O ' ' N ' ' A' ' 125' ' ' GLU . 35.6 mttt -47.64 -58.74 3.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.89 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 23.5 mmm -40.39 -56.48 2.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -53.63 -34.14 57.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.822 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 122' ' ' LYS . 33.2 mt-10 -71.45 -42.66 67.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.472 ' HD2' ' N ' ' A' ' 126' ' ' LYS . 6.8 mmmm -57.45 -52.94 63.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . 0.423 ' O ' ' CD1' ' A' ' 128' ' ' PHE . . . 153.37 33.69 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.423 ' CD1' ' O ' ' A' ' 127' ' ' GLY . 34.0 m-85 -143.69 106.5 4.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.909 0.385 . . . . 0.0 110.831 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -82.22 105.29 13.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.837 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 19.6 mmt180 -142.37 140.02 31.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 4.3 m -63.32 158.38 57.4 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.664 0.745 . . . . 0.0 110.872 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -50.65 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.64 2.227 . . . . 0.0 112.32 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 15.6 p -50.63 -42.75 56.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.177 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 80.9 mmm -50.28 -45.23 54.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 78.6 m -67.12 -36.41 81.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' THR . . . . . 0.567 ' HA ' ' CZ2' ' A' ' 116' ' ' TRP . 83.0 m -63.96 -53.68 46.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.103 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -70.51 -48.84 53.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.867 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 27.8 tptt -52.8 -43.43 65.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . 0.511 ' CE2' ' HG2' ' A' ' 99' ' ' ARG . 69.4 t-105 -61.37 -56.01 25.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 16.2 mtp180 -44.27 -42.48 6.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -61.59 -50.45 72.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 42.9 mt -47.19 -46.37 23.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 18.7 mt -58.79 -52.14 67.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 42.3 tttt -45.38 -45.45 12.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 -74.15 -48.8 26.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -45.04 -36.84 3.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 8.9 tptm -70.74 -54.54 11.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 23.4 mtmm -87.95 28.07 1.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -58.37 87.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.061 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 14.6 tptm -97.76 134.18 41.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -123.14 137.19 54.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 15.3 m170 -89.5 126.84 35.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 13.9 p30 -54.5 150.06 9.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -48.89 107.03 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 177.49 -168.83 40.69 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.477 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -101.21 -40.52 7.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.854 0.359 . . . . 0.0 110.861 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 66.95 -164.82 42.92 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.479 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 73.6 m -118.4 41.35 2.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.855 0.36 . . . . 0.0 110.873 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -75.14 -60.79 2.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.115 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . 0.416 ' C ' ' HD3' ' A' ' 160' ' ' LYS . 5.5 tmtm? -67.48 -46.99 71.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 3.6 tpp -44.07 117.57 1.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 86.5 p -163.61 163.51 24.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.831 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 34.3 p90 -57.77 123.9 17.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.907 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -100.95 160.41 14.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.961 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.72 135.73 40.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 179.988 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 10.0 mptt . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.854 0.359 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -55.6 -46.77 77.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.921 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.4 tpp180 70.79 40.42 0.97 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -170.25 140.19 1.86 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -114.1 -34.65 5.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.855 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 92.0 m -96.05 -38.49 10.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 14.1 m95 -98.46 160.2 14.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 34.5 m -113.12 154.65 14.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -42.86 -50.19 5.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.27 -63.93 0.98 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -54.65 -62.16 1.84 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 62.3 m -39.51 -60.32 0.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.16 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 4.7 tpp85 -51.97 -52.55 49.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 15.7 t -45.37 -44.91 12.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.824 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 27.0 tp -69.13 -47.14 65.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 67.1 mt -49.94 -59.37 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.156 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.75 -60.76 2.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -46.33 -37.34 7.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.871 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.638 ' NH1' ' CE2' ' A' ' 106' ' ' PHE . 6.5 tpt180 -68.3 -52.92 28.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 76.7 mtp180 -44.69 -49.62 10.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -63.63 -41.36 99.1 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.472 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.419 ' O ' ' C ' ' A' ' 103' ' ' ASP . 65.9 mmm -70.03 -22.38 63.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.783 0.325 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 102' ' ' MET . 34.2 t70 -36.98 -61.35 0.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 103' ' ' ASP . . . -37.33 -44.16 1.12 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.502 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.461 ' CB ' HD21 ' A' ' 115' ' ' LEU . 16.2 mt -62.92 -56.29 18.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.798 0.332 . . . . 0.0 110.893 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.638 ' CE2' ' NH1' ' A' ' 99' ' ' ARG . 67.7 m-85 -41.23 -44.89 2.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -61.36 -49.72 75.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 12.3 t -81.65 39.6 0.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.151 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 39.9 t -170.74 129.24 0.8 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.836 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -60.68 3.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 49.3 p -95.63 151.08 19.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.85 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.44 ' HB2' ' CE2' ' A' ' 106' ' ' PHE . 6.2 p30 -115.28 34.51 4.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.853 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 14.9 mtpt -65.12 -56.0 15.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.419 ' NE2' HD22 ' A' ' 115' ' ' LEU . 52.7 p-80 -62.7 -40.52 97.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.461 HD21 ' CB ' ' A' ' 105' ' ' LEU . 61.9 mt -59.19 -48.86 80.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.943 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.568 ' CH2' ' HA ' ' A' ' 136' ' ' THR . 8.8 m95 -54.92 -59.45 4.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.405 ' CG ' ' O ' ' A' ' 114' ' ' HIS . 12.0 pt-20 -51.92 -39.31 58.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -59.51 -55.93 28.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.927 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 74.0 mt -46.31 -50.06 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.099 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 13.5 t -52.25 -48.97 64.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.834 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 54.3 m -53.55 -45.59 69.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.842 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 14.7 mtmt -60.26 -33.05 71.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 68.2 mtp -69.79 -42.28 73.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.22 -48.73 77.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.835 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 126' ' ' LYS . 6.8 pt-20 -61.31 -35.0 76.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.454 ' HA ' ' CE ' ' A' ' 126' ' ' LYS . 2.4 mmpt? -72.19 -41.28 67.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.929 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 137.72 36.26 0.17 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.469 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -142.36 105.16 4.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.854 0.359 . . . . 0.0 110.868 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 15.2 p-10 -85.1 98.38 10.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -138.68 150.49 46.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 41.6 m -76.27 155.41 84.11 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.667 0.746 . . . . 0.0 110.864 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -38.93 7.2 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.634 2.223 . . . . 0.0 112.37 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -64.92 -32.29 73.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' MET . . . . . 0.469 ' HA ' ' CE ' ' A' ' 134' ' ' MET . 1.2 mmt -64.14 -46.05 85.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 62.9 m -63.66 -39.6 94.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.865 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' THR . . . . . 0.568 ' HA ' ' CH2' ' A' ' 116' ' ' TRP . 74.1 m -57.68 -58.21 9.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.097 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -62.92 -47.89 81.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -52.17 -47.56 65.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . 0.559 ' CH2' ' HG2' ' A' ' 99' ' ' ARG . 72.4 t-105 -55.4 -52.72 62.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.947 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 67.8 mtt180 -48.3 -40.32 24.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 19.9 t30 -63.21 -47.11 83.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 40.5 mt -52.77 -45.16 67.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.482 HD22 ' CE2' ' A' ' 139' ' ' TRP . 24.7 mt -57.93 -50.69 72.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 5.9 tppt? -48.42 -43.89 34.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -73.36 -44.62 58.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -50.57 -32.96 20.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp -75.17 -39.15 60.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 31.5 mtpt -93.39 27.97 2.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -70.02 -178.91 1.72 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.107 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 151' ' ' HIS . 12.4 pttm -37.51 -45.39 0.73 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.923 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . 0.44 ' C ' ' O ' ' A' ' 150' ' ' LYS . 5.3 m170 -35.27 140.47 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -48.83 -68.59 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -166.78 131.0 2.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.864 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.12 41.33 2.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 175.84 -140.88 5.36 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.515 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -79.16 -41.43 28.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.885 0.374 . . . . 0.0 110.899 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 66.34 -112.59 5.03 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.464 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 55.0 m 58.49 43.56 19.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.832 0.349 . . . . 0.0 110.822 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -82.02 -48.9 10.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.096 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -41.49 126.44 2.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.844 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 17.6 ttp -127.07 150.98 49.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 65.1 m -97.84 168.27 10.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 14.3 p90 -131.9 168.12 18.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -99.81 167.95 10.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.887 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -85.6 177.08 7.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.911 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.931 179.959 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 8.2 mptt . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.864 0.364 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 21.3 mtpt -101.82 79.68 1.94 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 18.6 ttm180 -155.88 120.83 4.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.834 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -83.03 100.91 10.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.076 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -89.46 85.76 6.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.443 HG22 ' N ' ' A' ' 87' ' ' TRP . 55.6 m -107.82 141.54 39.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.151 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.443 ' N ' HG22 ' A' ' 86' ' ' THR . 22.6 m95 -83.95 145.55 28.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.41 ' O ' ' C ' ' A' ' 89' ' ' GLN . 25.0 m -102.24 151.57 5.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.075 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 88' ' ' VAL . 40.4 tt0 -37.1 -61.93 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -44.12 -70.02 0.12 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -42.13 -65.78 0.42 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 23.1 m -45.06 -37.84 4.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.158 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 43.2 mtt180 -76.49 -30.64 57.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.408 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 5.8 p -66.11 -38.34 87.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 37.9 tp -75.01 -47.81 27.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 53.7 mt -47.27 -52.31 5.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 57.6 mtp -65.13 -46.27 81.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.408 ' CD1' ' O ' ' A' ' 94' ' ' SER . 6.0 m-30 -51.54 -42.38 61.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.895 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.51 ' NH1' ' NE1' ' A' ' 139' ' ' TRP . 9.2 tpt180 -76.82 -39.63 50.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 59.8 mtp180 -61.82 -29.89 70.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -86.61 -32.5 15.53 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.55 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 44.8 mtp -82.61 -15.86 50.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.766 0.317 . . . . 0.0 110.856 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 104' ' ' GLY . 0.7 OUTLIER -38.19 -53.05 1.46 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 103' ' ' ASP . . . -35.97 -43.89 0.69 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.506 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.455 ' CB ' HD23 ' A' ' 115' ' ' LEU . 25.8 mt -65.59 -57.02 9.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.844 0.354 . . . . 0.0 110.912 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.523 ' CD2' HD11 ' A' ' 115' ' ' LEU . 70.3 m-85 -43.72 -39.39 3.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 44.3 m-20 -66.28 -43.18 87.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 8.4 t -124.19 85.36 2.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.8 m -157.15 141.35 16.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -5.2 5.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.9 m -168.99 -178.05 3.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.416 ' O ' ' N ' ' A' ' 115' ' ' LEU . 0.7 OUTLIER -132.21 -38.69 1.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 -179.934 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -42.05 -42.81 3.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 22.8 p-80 -64.03 -37.65 88.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.812 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.523 HD11 ' CD2' ' A' ' 106' ' ' PHE . 80.5 mt -61.17 -47.92 83.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 68.3 m95 -58.02 -42.51 85.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -59.09 -40.03 84.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -59.13 -55.26 37.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 51.6 mt -49.79 -42.75 18.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.116 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.9 t -54.41 -61.51 2.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.6 t -47.71 -44.03 27.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 123' ' ' MET . 60.3 mttm -60.19 -64.47 0.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' MET . . . . . 0.405 ' C ' ' O ' ' A' ' 122' ' ' LYS . 82.9 mmm -37.21 -38.27 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 70.5 mtt180 -64.77 -52.55 56.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.471 ' CG ' ' HE2' ' A' ' 126' ' ' LYS . 3.6 pt-20 -62.4 -25.81 68.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.471 ' HE2' ' CG ' ' A' ' 125' ' ' GLU . 15.4 mmtt -81.18 17.55 1.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 76.11 14.32 82.38 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.502 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -122.71 103.79 8.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.854 0.359 . . . . 0.0 110.835 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -87.67 102.3 14.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -142.28 144.09 33.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.0 m -68.64 160.57 76.27 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.648 0.737 . . . . 0.0 110.863 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -43.1 2.83 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.632 2.221 . . . . 0.0 112.336 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -61.37 -35.65 78.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.122 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 99.2 mmm -58.21 -51.58 69.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 69.6 m -58.39 -41.06 84.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 85.7 m -58.5 -62.19 2.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -60.61 -42.19 96.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 21.0 tptt -56.27 -46.63 79.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . 0.51 ' NE1' ' NH1' ' A' ' 99' ' ' ARG . 45.2 t-105 -56.99 -49.92 74.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.949 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -52.06 -44.3 64.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.823 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -62.23 -38.35 88.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.558 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 32.5 mt -60.8 -35.51 76.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 15.8 mt -70.81 -38.23 73.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 20.1 mmtt -70.14 -39.47 75.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.952 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -77.61 -27.2 51.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.558 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 2.5 m-85 -71.32 -42.04 69.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 18.1 tptp -54.35 -49.36 69.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.953 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 46.1 mmtt -40.39 -53.01 2.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -53.06 173.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.088 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.24 178.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -81.96 132.77 35.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 48.4 m-70 -122.91 162.94 21.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -44.16 100.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 12.5 ptt-85 -111.5 164.64 12.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -98.94 139.38 14.42 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.508 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -81.47 -41.84 21.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.909 0.385 . . . . 0.0 110.904 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 86.19 154.14 23.84 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.453 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 14.1 m -149.16 168.01 24.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.87 0.367 . . . . 0.0 110.827 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -96.88 -56.91 2.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.061 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 8.5 tppt? 63.39 43.42 6.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 15.0 mtt 42.1 42.53 2.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.836 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 3.1 t -77.63 122.61 25.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.831 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -132.91 146.55 51.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.918 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . 0.549 ' C ' ' CD1' ' A' ' 164' ' ' TYR . 0.4 OUTLIER -91.06 157.06 17.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.937 -179.891 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . 0.41 ' HD3' ' N ' ' A' ' 166' ' ' GLU . 3.7 tmtp? -173.92 116.1 0.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.934 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . 0.41 ' N ' ' HD3' ' A' ' 165' ' ' LYS . 16.4 tp10 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.875 0.369 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -85.44 146.82 26.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.8 ptt180 -117.92 154.82 31.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -124.63 168.62 12.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.088 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -96.23 -34.31 11.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.921 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 6.7 p -75.6 -29.35 59.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.141 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 19.9 m95 -119.95 130.41 54.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.948 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.404 ' O ' ' C ' ' A' ' 89' ' ' GLN . 34.5 m -90.54 145.54 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.124 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.419 ' HG3' ' N ' ' A' ' 90' ' ' ASP . 17.7 pt20 -37.18 -50.77 0.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.419 ' N ' ' HG3' ' A' ' 89' ' ' GLN . 0.9 OUTLIER -49.92 -51.18 42.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 92' ' ' THR . 35.0 mt-10 -66.79 -67.74 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 91' ' ' GLU . 75.1 m -36.91 -53.16 0.95 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.148 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.5 ttt85 -56.83 -57.67 11.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 41.2 t -44.81 -39.39 5.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 16.6 tp -69.24 -62.31 1.43 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.926 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 66.8 mt -41.41 -53.0 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 60.8 mtp -57.36 -53.1 61.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -49.65 -45.1 48.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.528 ' NH2' ' CD1' ' A' ' 106' ' ' PHE . 0.0 OUTLIER -66.9 -43.84 82.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 47.5 mtp180 -56.36 -40.57 74.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -69.63 -40.65 77.16 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.463 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.439 ' O ' ' C ' ' A' ' 103' ' ' ASP . 38.8 mmm -74.59 -14.91 60.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.789 0.328 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 102' ' ' MET . 6.9 t70 -35.45 -53.22 0.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -50.07 -52.7 25.79 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.492 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 28.8 mt -54.89 -51.39 66.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.817 0.341 . . . . 0.0 110.875 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.528 ' CD1' ' NH2' ' A' ' 99' ' ' ARG . 37.6 m-85 -51.75 -42.01 62.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -67.13 -53.91 26.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.8 t -95.4 72.78 3.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.099 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 37.3 t -166.49 159.77 14.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.862 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.42 -38.73 11.29 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.921 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.5 p -117.19 162.47 17.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.41 ' O ' ' N ' ' A' ' 115' ' ' LEU . 2.8 p30 -125.95 -26.7 3.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.03 -47.41 3.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.898 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 40.9 p-80 -66.27 -35.66 80.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 112' ' ' ASN . 27.1 mt -64.48 -34.36 78.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.407 ' CH2' ' HA ' ' A' ' 136' ' ' THR . 49.7 m95 -71.78 -60.97 1.96 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -46.03 -36.5 5.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -65.01 -60.11 3.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 88.8 mt -43.32 -46.28 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 77.4 p -59.61 -44.05 93.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 26.3 m -62.94 -42.34 99.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.822 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -58.44 -44.13 89.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.927 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 91.0 mtp -58.53 -58.25 9.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 69.8 mtt180 -45.56 -44.91 13.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -51.47 -41.56 60.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.896 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.55 -42.11 65.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.925 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 143.01 43.31 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.471 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -140.45 106.66 5.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.893 0.378 . . . . 0.0 110.864 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -90.81 95.3 10.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 31.6 mmt-85 -141.24 124.48 16.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.0 m -50.24 160.88 0.64 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.699 0.762 . . . . 0.0 110.828 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -40.28 5.47 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.679 2.253 . . . . 0.0 112.321 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -55.83 -40.91 73.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.089 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 76.3 mmm -55.36 -55.79 27.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 95.4 m -55.52 -31.68 62.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' THR . . . . . 0.407 ' HA ' ' CH2' ' A' ' 116' ' ' TRP . 97.9 m -67.04 -61.51 1.9 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.167 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -61.18 -49.28 77.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 15.6 tptm -52.34 -53.61 42.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . 0.543 ' CZ2' HD22 ' A' ' 143' ' ' LEU . 65.6 t-105 -47.99 -56.96 6.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.926 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -46.96 -46.75 21.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.836 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -62.3 -41.36 98.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.589 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 30.9 mt -56.79 -34.98 68.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.543 HD22 ' CZ2' ' A' ' 139' ' ' TRP . 33.6 mt -69.84 -46.87 64.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 0.466 ' HE3' ' N ' ' A' ' 144' ' ' LYS . 0.5 OUTLIER -63.93 -39.97 95.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 179.829 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . 0.466 ' CG ' ' HA ' ' A' ' 142' ' ' LEU . 1.3 pp20? -75.95 -35.36 59.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.589 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 2.1 m-85 -60.37 -45.26 94.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.925 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 61.0 mttt -56.1 -43.02 77.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 2.6 tppt? -43.11 -49.26 6.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -45.29 118.54 1.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.116 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . 0.523 ' HE3' ' CD2' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -45.74 -42.56 12.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.902 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . 0.523 ' CD2' ' HE3' ' A' ' 150' ' ' LYS . 62.6 m-70 -79.96 98.71 7.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.827 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . 0.431 ' CD2' ' HB3' ' A' ' 154' ' ' ARG . 2.3 t60 -169.43 110.85 0.47 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.817 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -74.61 -48.36 26.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . 0.439 ' HD2' ' N ' ' A' ' 155' ' ' GLY . 4.9 tmm_? -44.32 147.12 0.59 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . 0.439 ' N ' ' HD2' ' A' ' 154' ' ' ARG . . . 72.39 50.51 15.83 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.525 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -100.93 -40.97 7.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.861 0.363 . . . . 0.0 110.876 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 161.1 138.28 2.39 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 40.0 t -86.13 132.91 33.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.362 . . . . 0.0 110.892 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -69.62 -50.36 45.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.114 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 12.9 tppt? -65.41 130.24 42.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 26.4 ttp -76.26 158.11 31.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 70.2 m -102.08 165.47 11.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -51.25 -27.15 8.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -108.99 123.55 49.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.43 36.8 0.6 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.865 179.97 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 36.3 mtpt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.828 0.346 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.2 tppm? -163.57 146.27 9.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.4 tpp85 -120.61 46.07 2.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -115.07 94.55 4.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.096 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -93.39 42.06 1.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.901 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 27.9 p -76.94 -43.61 34.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.135 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.464 ' CE3' ' HB3' ' A' ' 91' ' ' GLU . 11.1 m95 -117.08 154.11 31.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.45 ' O ' ' C ' ' A' ' 89' ' ' GLN . 6.1 m -111.09 143.92 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.193 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 88' ' ' VAL . 9.3 pt20 -34.39 -52.58 0.49 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -46.25 -51.35 14.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.464 ' HB3' ' CE3' ' A' ' 87' ' ' TRP . 6.8 mm-40 -68.14 -63.08 1.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 53.8 m -40.14 -55.77 2.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -51.97 -61.89 1.97 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.875 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.5 t -47.91 -46.52 31.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 16.2 tp -56.18 -64.46 0.85 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 82.3 mt -40.14 -52.31 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.509 ' N ' HH21 ' A' ' 100' ' ' ARG . 9.2 tpt -50.41 -57.73 7.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.418 ' CE1' ' HB3' ' A' ' 122' ' ' LYS . 43.2 m-85 -47.39 -43.88 23.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.832 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.556 ' NH2' ' CZ2' ' A' ' 139' ' ' TRP . 4.4 mmm180 -66.02 -40.3 90.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.839 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.509 HH21 ' N ' ' A' ' 97' ' ' MET . 56.1 mtm180 -63.13 -55.52 24.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -59.49 -28.83 65.52 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.519 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.4 ' O ' ' C ' ' A' ' 103' ' ' ASP . 31.6 mtp -91.23 -17.04 26.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.761 0.315 . . . . 0.0 110.832 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.468 ' OD1' ' N ' ' A' ' 104' ' ' GLY . 0.3 OUTLIER -37.58 -44.88 0.71 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.847 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.468 ' N ' ' OD1' ' A' ' 103' ' ' ASP . . . -43.64 -46.01 7.17 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.458 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 23.7 mt -71.99 -35.68 69.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.841 0.353 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.561 ' CD1' HD13 ' A' ' 115' ' ' LEU . 32.5 m-85 -63.58 -44.22 94.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -54.91 -37.08 65.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.898 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.8 t -120.99 83.33 2.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.178 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 80.7 p -173.38 116.31 0.26 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.868 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 34.7 tttp -39.19 -55.08 1.71 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 4.0 m -130.36 145.17 51.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.522 ' O ' ' CD1' ' A' ' 116' ' ' TRP . 0.3 OUTLIER -93.23 33.64 1.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 7.5 tppt? -68.89 -62.44 1.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 40.9 p-80 -56.89 -42.84 80.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.864 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.561 HD13 ' CD1' ' A' ' 106' ' ' PHE . 58.9 mt -57.17 -44.69 83.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.522 ' CD1' ' O ' ' A' ' 112' ' ' ASN . 7.4 m95 -57.09 -61.36 2.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.928 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.434 ' HG3' ' N ' ' A' ' 118' ' ' GLN . 8.0 pt-20 -51.22 -38.2 51.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.872 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.434 ' N ' ' HG3' ' A' ' 117' ' ' GLU . 16.6 mt-30 -60.48 -51.44 69.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 93.9 mt -51.99 -48.35 40.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 30.2 t -53.62 -49.45 67.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 40.4 t -57.47 -51.73 68.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.842 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.418 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 54.9 mttm -48.64 -54.74 13.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 27.3 mmm -46.86 -60.12 2.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.843 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.422 ' HD2' ' C ' ' A' ' 124' ' ' ARG . 1.3 tmm_? -50.25 -49.91 51.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.894 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -53.02 -39.63 63.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.463 ' HE2' ' N ' ' A' ' 126' ' ' LYS . 0.3 OUTLIER -74.33 -61.27 1.92 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.913 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 168.47 31.23 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.486 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.439 ' CD1' ' OE2' ' A' ' 91' ' ' GLU . 25.3 m-85 -139.63 108.88 6.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.836 0.35 . . . . 0.0 110.899 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -94.19 100.95 12.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -141.85 145.74 35.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.8 m -67.38 161.37 65.29 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.678 0.751 . . . . 0.0 110.878 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -37.68 8.88 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.689 2.259 . . . . 0.0 112.33 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 2.1 p -59.11 -48.29 82.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 7.7 mtp -47.62 -53.92 13.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 96.4 m -57.74 -36.79 72.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.929 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 97.0 m -63.06 -55.36 26.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -65.82 -55.4 17.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.824 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 42.2 tptt -47.96 -50.27 27.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . 0.556 ' CZ2' ' NH2' ' A' ' 99' ' ' ARG . 70.9 t-105 -52.5 -53.75 41.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 18.4 mtp85 -46.31 -45.08 17.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 -59.86 -50.3 74.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 48.3 mt -49.85 -46.96 51.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.928 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.547 HD21 ' CZ2' ' A' ' 139' ' ' TRP . 28.2 mt -56.82 -45.67 82.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.935 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 24.4 mmtm -53.7 -44.07 69.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -72.98 -45.12 59.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -50.74 -41.82 56.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 4.6 tppt? -44.36 -43.56 7.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . 0.417 ' C ' ' HD2' ' A' ' 148' ' ' LYS . 0.1 OUTLIER -46.95 -52.32 14.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.916 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -77.63 178.75 7.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.113 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . 0.471 ' HG3' ' N ' ' A' ' 151' ' ' HIS . 9.3 ttmt -101.18 156.32 17.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.913 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . 0.471 ' N ' ' HG3' ' A' ' 150' ' ' LYS . 0.3 OUTLIER -148.83 171.61 16.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.884 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -50.24 137.03 18.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -67.4 120.91 14.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.869 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 37.0 ttp85 -101.77 39.7 1.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 67.05 -137.69 33.89 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.477 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -102.53 -41.8 6.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.905 0.383 . . . . 0.0 110.949 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 64.5 -161.69 38.53 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.465 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 58.3 p -56.12 123.69 15.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.844 0.354 . . . . 0.0 110.867 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -98.45 -58.58 1.93 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -76.78 88.47 3.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 3.5 ptp -123.99 129.63 51.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 2.7 t -174.98 160.23 2.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -131.51 -32.16 1.54 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.921 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . 0.541 ' CD2' ' HG2' ' A' ' 165' ' ' LYS . 30.8 t80 -74.64 171.66 13.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.911 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . 0.541 ' HG2' ' CD2' ' A' ' 164' ' ' TYR . 2.4 mmmp? 34.57 44.29 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.888 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 3.2 pp20? . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 179.933 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 15.8 pttm . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.87 0.367 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.54 130.92 56.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.887 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -115.73 102.89 10.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -170.46 145.33 2.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.074 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -79.34 83.22 5.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 61.3 m -161.92 137.77 7.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.128 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 24.5 m95 -76.54 123.56 26.25 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 12.8 m -85.53 151.02 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.146 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -39.38 -55.52 1.73 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -43.54 -68.42 0.2 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -48.9 -56.89 7.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 41.5 m -43.92 -53.31 6.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.094 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 -62.16 -38.47 89.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.834 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 10.3 p -61.84 -50.46 72.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.835 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 96' ' ' ILE . 18.3 tp -62.03 -64.32 0.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.924 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.415 ' C ' ' O ' ' A' ' 95' ' ' LEU . 71.5 mt -36.57 -59.41 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 59.7 mtp -48.02 -59.09 3.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.885 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -50.44 -44.76 55.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.622 ' NH2' ' CD2' ' A' ' 106' ' ' PHE . 0.0 OUTLIER -59.33 -59.01 6.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 -179.92 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.411 ' O ' ' CB ' ' A' ' 103' ' ' ASP . 77.4 mtp180 -50.82 -53.48 31.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -50.34 -38.09 33.22 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.497 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 60.2 mmm -81.29 -12.26 59.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.811 0.339 . . . . 0.0 110.874 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 106' ' ' PHE . 8.9 t70 -39.53 -58.29 1.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 103' ' ' ASP . . . -36.29 -37.82 0.22 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.471 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.459 ' CB ' HD21 ' A' ' 115' ' ' LEU . 47.0 mt -73.97 -42.07 61.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.896 0.379 . . . . 0.0 110.947 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.622 ' CD2' ' NH2' ' A' ' 99' ' ' ARG . 29.3 m-85 -60.8 -11.19 6.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -92.93 -54.04 3.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.413 HG22 ' N ' ' A' ' 109' ' ' SER . 8.3 t -67.97 -35.94 79.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.144 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.413 ' N ' HG22 ' A' ' 108' ' ' THR . 16.3 m -100.11 115.03 28.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 5.1 ttmt -51.07 -54.62 23.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 74.3 m -82.46 147.29 28.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.516 ' HB3' ' CD2' ' A' ' 106' ' ' PHE . 0.2 OUTLIER -120.92 31.32 6.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.4 -66.47 0.57 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.906 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.511 ' CE1' ' HG ' ' A' ' 115' ' ' LEU . 24.5 p-80 -55.67 -33.33 64.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.511 ' HG ' ' CE1' ' A' ' 114' ' ' HIS . 78.4 mt -63.7 -52.53 60.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.937 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.456 ' CD1' ' O ' ' A' ' 112' ' ' ASN . 16.2 m95 -55.26 -42.17 73.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -63.28 -34.09 76.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -68.59 -55.71 10.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 49.9 mt -48.44 -45.89 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.126 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 69.8 p -60.94 -59.37 5.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.2 t -46.13 -42.02 13.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.829 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -58.0 -56.3 23.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 81.6 mtp -44.79 -57.92 3.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 10.6 ttt85 -49.78 -39.63 38.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -66.12 -40.84 90.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.25 -24.26 63.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 130.82 0.69 5.19 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.478 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -114.97 105.92 13.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.823 0.344 . . . . 0.0 110.851 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -90.88 105.57 17.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 50.5 mmt-85 -141.91 126.75 18.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.4 p -50.02 155.28 1.63 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.697 0.76 . . . . 0.0 110.87 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -35.4 12.64 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.704 2.269 . . . . 0.0 112.369 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -61.59 -48.08 82.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.094 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 56.1 mmm -51.96 -43.51 63.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 41.6 m -63.63 -38.29 90.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 20.6 m -61.54 -55.27 32.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -64.37 -48.75 74.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.829 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 24.4 tptt -56.08 -39.22 71.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . 0.564 ' CE3' ' HG3' ' A' ' 99' ' ' ARG . 66.6 t-105 -60.7 -51.73 68.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -51.54 -44.33 62.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.866 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -58.66 -41.51 86.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 65.4 mt -57.79 -43.3 85.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 20.5 mt -60.94 -41.19 95.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.968 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 2.5 mmmm -57.84 -51.71 68.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -65.66 -48.8 70.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -45.77 -37.26 5.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 9.0 ttmt -86.22 -33.74 20.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 33.5 mttp -93.41 23.62 4.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -81.97 -179.88 7.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.092 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -66.84 -43.06 84.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 55.8 m170 -42.03 -52.81 4.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 7.1 m80 -91.33 164.59 13.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.801 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -42.75 105.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.67 164.23 0.25 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -95.23 -179.35 36.97 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -107.83 16.3 23.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.877 0.37 . . . . 0.0 110.891 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -83.37 53.4 4.86 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.495 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 2.9 t -69.89 74.11 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.892 0.377 . . . . 0.0 110.891 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -95.72 -45.76 6.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.097 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.32 134.69 8.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 6.2 ptm -166.99 146.43 5.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.866 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 72.8 m -151.05 144.67 25.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -109.55 134.35 52.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.943 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . 0.439 ' O ' ' CG ' ' A' ' 164' ' ' TYR . 0.4 OUTLIER -76.08 -9.66 58.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.922 -179.911 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . 0.422 ' NZ ' ' HA ' ' A' ' 165' ' ' LYS . 0.0 OUTLIER -79.64 169.43 18.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 179.92 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.878 0.371 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.5 tppt? -133.02 -52.9 0.91 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 26.7 ttt180 -119.35 42.79 2.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.889 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -162.55 149.92 13.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.133 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -85.34 104.62 15.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 80.9 m -143.55 150.12 38.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.168 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . 0.534 ' CZ3' HD21 ' A' ' 95' ' ' LEU . 22.7 m95 -61.24 129.8 43.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 22.3 m -89.63 158.51 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.112 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.453 ' HG3' ' N ' ' A' ' 90' ' ' ASP . 21.1 pt20 -45.3 -48.47 13.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.453 ' N ' ' HG3' ' A' ' 89' ' ' GLN . 2.4 m-20 -50.24 -68.0 0.21 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.455 ' HG2' ' CD1' ' A' ' 128' ' ' PHE . 47.4 mt-10 -54.88 -59.59 4.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 99.4 m -40.61 -54.73 2.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.114 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 4.9 tpp180 -53.81 -49.45 68.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.405 ' O ' ' CD2' ' A' ' 98' ' ' PHE . 1.5 m -57.69 -38.02 74.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.534 HD21 ' CZ3' ' A' ' 87' ' ' TRP . 38.8 tp -65.37 -45.64 83.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 77.5 mt -64.5 -44.93 96.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.165 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 7.0 tpt -57.29 -59.11 5.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.405 ' CD2' ' O ' ' A' ' 94' ' ' SER . 28.3 m-85 -49.24 -44.59 43.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.916 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.528 ' NH2' ' CZ2' ' A' ' 139' ' ' TRP . 4.1 mmm180 -60.61 -46.87 88.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 47.7 mtp180 -59.32 -42.66 91.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -70.59 -37.55 68.18 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.471 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 39.2 mtp -83.94 -11.72 56.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.815 0.34 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -39.45 -52.58 2.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -38.66 -53.35 2.39 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.503 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 40.7 mt -61.23 -43.86 98.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.868 0.366 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.516 ' CE2' ' HB2' ' A' ' 112' ' ' ASN . 36.5 m-85 -55.68 -39.0 70.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -66.77 -51.27 57.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.89 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 11.5 t -83.36 34.64 0.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.165 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 42.6 m -157.88 133.8 9.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 15.5 tptm -76.56 -59.96 2.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.9 t -91.84 111.05 22.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.564 ' O ' ' CD1' ' A' ' 116' ' ' TRP . 10.7 p30 -83.38 39.07 0.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 28.8 mmtm -67.88 -64.6 0.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 43.7 p-80 -58.0 -33.81 69.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.877 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 74.2 mt -64.59 -41.16 96.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.564 ' CD1' ' O ' ' A' ' 112' ' ' ASN . 10.8 m95 -61.57 -59.8 4.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.447 ' HG3' ' N ' ' A' ' 118' ' ' GLN . 12.6 pt-20 -51.74 -40.51 60.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.447 ' N ' ' HG3' ' A' ' 117' ' ' GLU . 25.7 mt-30 -57.17 -57.9 10.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 66.8 mt -47.62 -56.49 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 26.8 t -42.53 -52.79 4.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 12.6 t -55.23 -56.01 24.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.822 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 26.6 mtmt -44.54 -52.17 8.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.953 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 91.6 mtp -50.58 -63.85 0.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.412 ' HG2' ' CG ' ' A' ' 129' ' ' ASP . 1.8 tmm_? -41.85 -52.46 4.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -44.96 -41.79 7.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.93 -55.75 6.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 159.76 35.14 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.464 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.455 ' CD1' ' HG2' ' A' ' 91' ' ' GLU . 25.3 m-85 -139.04 105.17 5.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.868 0.366 . . . . 0.0 110.842 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.412 ' CG ' ' HG2' ' A' ' 124' ' ' ARG . 0.9 OUTLIER -91.45 89.88 7.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 11.6 mmt180 -127.51 133.66 49.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.8 m -55.5 159.51 4.67 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.658 0.742 . . . . 0.0 110.843 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -49.58 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.668 2.245 . . . . 0.0 112.352 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -53.29 -39.19 63.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.124 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 66.5 mmm -54.61 -50.09 68.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.854 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 43.1 m -58.13 -41.85 84.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' THR . . . . . 0.518 ' HA ' ' CH2' ' A' ' 116' ' ' TRP . 30.8 m -56.19 -64.39 0.88 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -57.76 -49.62 75.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.832 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . 0.477 ' CE ' HD13 ' A' ' 142' ' ' LEU . 0.4 OUTLIER -49.39 -60.76 2.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . 0.528 ' CZ2' ' NH2' ' A' ' 99' ' ' ARG . 72.3 t-105 -43.38 -54.37 4.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -46.32 -43.55 15.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 28.1 t30 -60.39 -50.59 72.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.477 HD13 ' CE ' ' A' ' 138' ' ' LYS . 35.5 mt -52.56 -46.98 67.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.496 HD21 ' CZ2' ' A' ' 139' ' ' TRP . 46.6 mt -55.34 -45.16 76.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 43.9 tttt -53.9 -45.87 71.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -70.39 -45.97 64.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.904 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -47.96 -44.64 30.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 25.3 tttt -62.5 -41.47 98.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 4.6 tppt? -97.09 29.0 3.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.859 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . 0.427 ' O ' ' C ' ' A' ' 150' ' ' LYS . . . -62.87 179.26 0.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.072 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 149' ' ' ALA . 8.9 ptpp? 36.07 34.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . 0.418 ' N ' ' O ' ' A' ' 149' ' ' ALA . 10.9 m-70 -143.0 136.52 28.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 25.8 m80 -89.6 152.58 21.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.823 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -161.08 124.53 3.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -131.83 178.43 6.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 148.8 -39.96 0.93 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.468 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 13.0 p-10 -64.66 -41.31 96.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.886 0.374 . . . . 0.0 110.867 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 52.9 -125.2 29.75 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.496 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 57.9 m -122.42 75.23 1.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.888 0.375 . . . . 0.0 110.869 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 160' ' ' LYS . . . -101.2 -52.62 3.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.059 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 159' ' ' ALA . 16.2 mmtm -34.47 -62.23 0.35 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -119.41 156.16 30.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 4.6 m -153.91 165.64 35.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 163' ' ' TYR . . . . . 0.498 ' O ' ' N ' ' A' ' 165' ' ' LYS . 6.8 m-85 -85.06 -33.82 22.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.907 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . 0.443 ' CD2' ' O ' ' A' ' 164' ' ' TYR . 26.2 p90 35.46 31.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.926 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 163' ' ' TYR . 27.4 mmtt -144.47 155.55 43.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 179.929 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 31.8 pttt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.847 0.356 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 43.7 mttt -102.74 -60.42 1.55 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 75.6 mtt180 -127.77 135.02 49.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -40.4 137.46 1.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.111 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -60.16 97.23 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 5.7 m -107.15 -36.42 6.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -120.74 154.49 35.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 33.5 m -111.12 158.25 11.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.142 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -56.98 -55.65 31.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.493 ' N ' ' OD1' ' A' ' 90' ' ' ASP . 2.4 p-10 -46.04 -69.97 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.552 ' HA ' ' CE2' ' A' ' 128' ' ' PHE . 8.5 pt-20 -52.58 -42.37 64.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.41 ' N ' ' CG ' ' A' ' 91' ' ' GLU . 4.5 m -54.35 -35.15 62.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.145 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 2.1 ttm105 -74.28 -39.3 63.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.451 ' O ' ' CD2' ' A' ' 98' ' ' PHE . 1.4 t -58.44 -42.33 87.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 14.9 tp -68.47 -63.33 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 68.1 mt -38.48 -56.64 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 6.8 ttp -54.52 -52.11 63.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.537 ' CE1' ' HD3' ' A' ' 122' ' ' LYS . 4.7 m-85 -47.52 -50.14 24.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.903 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.474 ' HD3' ' CZ3' ' A' ' 116' ' ' TRP . 3.8 mmm180 -56.57 -53.01 62.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.809 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -54.95 -46.45 75.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -64.2 -24.76 69.15 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.463 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 76.2 mtp -98.57 -6.67 29.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.757 0.313 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.475 ' OD1' ' N ' ' A' ' 104' ' ' GLY . 0.4 OUTLIER -45.42 -46.37 13.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.871 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.475 ' N ' ' OD1' ' A' ' 103' ' ' ASP . . . -45.01 -55.26 6.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.493 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.469 HD12 ' CD2' ' A' ' 115' ' ' LEU . 73.7 mt -49.46 -53.88 20.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.843 0.354 . . . . 0.0 110.894 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.516 ' CZ ' HD12 ' A' ' 115' ' ' LEU . 73.2 m-85 -50.16 -25.37 3.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.909 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -88.79 -54.61 4.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.4 t -87.27 36.24 0.73 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.138 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.404 ' CB ' ' O ' ' A' ' 105' ' ' LEU . 7.7 t -149.18 154.86 39.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.05 18.78 21.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.2 t -145.48 148.96 33.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 115' ' ' LEU . 2.9 p30 -127.35 -38.58 1.94 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.848 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -39.85 -48.05 2.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.916 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.566 ' CE1' ' HG ' ' A' ' 115' ' ' LEU . 24.0 p-80 -63.69 -36.37 83.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.837 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.566 ' HG ' ' CE1' ' A' ' 114' ' ' HIS . 84.5 mt -67.16 -43.77 81.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.948 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.474 ' CZ3' ' HD3' ' A' ' 99' ' ' ARG . 8.5 m95 -58.92 -52.0 67.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.951 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -61.98 -30.06 70.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.12 -46.13 75.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 36.0 mt -61.19 -45.31 98.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 60.2 p -56.51 -47.18 79.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.807 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 23.4 t -59.01 -38.92 80.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.848 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.537 ' HD3' ' CE1' ' A' ' 98' ' ' PHE . 56.4 mttt -62.08 -58.42 7.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.897 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 54.1 mmm -44.32 -50.71 8.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 31.8 ttt180 -56.43 -48.52 76.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -61.82 -38.66 89.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -66.46 -45.52 79.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.937 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 158.33 -17.78 0.3 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.502 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.552 ' CE2' ' HA ' ' A' ' 91' ' ' GLU . 59.3 m-85 -101.58 108.61 20.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.855 0.359 . . . . 0.0 110.877 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -93.1 100.73 13.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -140.23 126.78 20.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.72 161.31 0.9 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.663 0.744 . . . . 0.0 110.879 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -26.63 27.61 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.689 2.259 . . . . 0.0 112.391 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -64.23 -45.05 89.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 2.7 mmt -59.73 -47.97 83.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 47.9 m -64.96 -32.38 74.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.825 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 52.4 m -65.71 -55.56 16.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -65.56 -51.17 61.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 24.3 tptt -50.2 -48.85 54.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . 0.456 ' CZ2' ' NH2' ' A' ' 99' ' ' ARG . 75.0 t-105 -54.45 -58.05 8.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -41.0 -50.05 3.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -57.16 -49.07 77.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.585 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 61.5 mt -51.97 -32.08 31.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.436 HD21 ' CE2' ' A' ' 139' ' ' TRP . 38.6 mt -72.07 -41.33 67.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.986 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -65.49 -32.91 74.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . 0.496 ' C ' ' CD ' ' A' ' 145' ' ' GLU . 1.8 pp20? -87.79 -25.43 23.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . 0.585 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 2.7 m-85 -72.93 -46.52 52.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.63 -60.93 2.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? -39.03 -45.55 1.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -50.04 124.54 10.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt -98.09 -43.92 6.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -75.95 140.34 42.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.818 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -70.16 105.06 2.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -138.26 113.19 9.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 43.5 ptt85 -174.72 124.73 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -63.58 177.86 7.37 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.518 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -96.96 -41.38 8.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.835 0.35 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 88.78 92.05 1.11 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.485 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 27.3 t -105.88 90.95 3.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.918 0.389 . . . . 0.0 110.839 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -65.13 -58.94 4.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.125 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 19.5 tptm 62.5 41.1 10.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 34.3 mmm -98.27 141.68 30.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 67.2 m -102.15 151.87 21.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 163' ' ' TYR . . . . . 0.401 ' CD1' ' O ' ' A' ' 165' ' ' LYS . 26.2 p90 -141.87 165.08 28.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . 0.43 ' CD1' ' HG3' ' A' ' 165' ' ' LYS . 1.8 p90 -118.76 -5.79 10.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.889 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . 0.43 ' HG3' ' CD1' ' A' ' 164' ' ' TYR . 0.0 OUTLIER -151.63 -175.05 5.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 179.907 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 179.968 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.473 ' CH2' ' HG3' ' A' ' 130' ' ' ARG . 29.8 m95 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.841 0.353 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.5 HG23 ' H ' ' A' ' 91' ' ' GLU . 5.5 m -98.59 162.08 2.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.12 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -52.09 -43.32 63.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -55.03 -61.37 2.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.844 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.5 ' H ' HG23 ' A' ' 88' ' ' VAL . 49.6 mt-10 -56.98 -54.38 47.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.509 HG22 ' CD1' ' A' ' 96' ' ' ILE . 25.5 m -48.44 -57.31 6.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.8 ttt180 -51.85 -49.56 62.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.8 t -55.98 -50.13 71.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.1 tp -59.11 -60.47 3.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.961 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.509 ' CD1' HG22 ' A' ' 92' ' ' THR . 64.1 mt -42.58 -57.51 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.115 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 48.5 ttm -48.65 -61.08 2.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -49.27 -38.61 27.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.523 ' HG2' ' CD2' ' A' ' 139' ' ' TRP . 10.0 tpt180 -74.89 -28.06 60.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.843 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 84.8 mtt180 -72.25 -41.31 66.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.829 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -76.59 -39.66 29.28 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.454 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.407 ' O ' ' C ' ' A' ' 103' ' ' ASP . 74.0 mtp -78.38 -17.65 56.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.727 0.299 . . . . 0.0 110.89 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 102' ' ' MET . 7.5 t70 -37.72 -50.81 1.23 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.845 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -46.27 -48.95 15.37 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.501 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.561 ' HB3' HD21 ' A' ' 115' ' ' LEU . 52.5 mt -51.08 -33.4 25.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.868 0.366 . . . . 0.0 110.925 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.71 ' CD1' HD13 ' A' ' 115' ' ' LEU . 52.7 m-85 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 26.1 mtmt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.837 0.351 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 114' ' ' HIS . . . . . 0.516 ' CE1' ' HG ' ' A' ' 115' ' ' LEU . 29.2 p-80 -63.83 -34.23 77.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.884 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.71 HD13 ' CD1' ' A' ' 106' ' ' PHE . 87.0 mt -69.34 -40.01 77.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.961 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.567 ' CH2' ' HA ' ' A' ' 136' ' ' THR . 29.3 m95 -60.72 -51.01 71.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 118' ' ' GLN . 10.4 pt-20 -57.43 -43.23 83.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.438 ' N ' ' HG3' ' A' ' 117' ' ' GLU . 56.4 mt-30 -56.95 -52.9 63.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 96.5 mt -50.9 -51.4 20.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.125 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.412 ' OG ' ' N ' ' A' ' 121' ' ' SER . 51.7 p -51.5 -63.8 1.02 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.412 ' N ' ' OG ' ' A' ' 120' ' ' SER . 2.6 m -41.05 -50.53 3.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.881 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 21.4 mttm -56.14 -47.98 77.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 44.0 mmm -54.47 -54.82 35.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.832 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 47.0 mtm180 -48.99 -43.15 39.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -58.3 -38.9 77.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.19 -32.08 73.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 131.32 2.54 4.53 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.484 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -104.49 111.66 24.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.877 0.37 . . . . 0.0 110.842 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -86.17 96.59 9.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.823 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.473 ' HG3' ' CH2' ' A' ' 87' ' ' TRP . 22.5 mmt180 -138.38 132.48 31.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.8 m -64.63 161.12 47.18 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.661 0.743 . . . . 0.0 110.868 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -38.27 8.02 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.68 2.253 . . . . 0.0 112.341 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -66.14 -35.32 80.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.175 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 32.4 mmm -62.43 -48.23 80.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 88.3 m -61.52 -40.09 93.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' THR . . . . . 0.567 ' HA ' ' CH2' ' A' ' 116' ' ' TRP . 23.7 m -58.4 -58.09 10.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.139 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -60.54 -45.27 94.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 43.1 tptt -55.85 -41.24 74.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' TRP . . . . . 0.789 ' CZ2' HD21 ' A' ' 143' ' ' LEU . 60.7 t-105 -60.29 -61.81 2.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -41.16 -43.71 2.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.83 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -63.96 -42.0 97.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 32.6 mt -59.32 -31.11 68.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.941 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.789 HD21 ' CZ2' ' A' ' 139' ' ' TRP . 20.3 mt -72.1 -45.36 60.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 8.5 tmtt? -61.59 -39.92 92.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.89 179.945 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 11.2 m95 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.849 0.357 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.708 HG23 ' H ' ' A' ' 91' ' ' GLU . 5.9 m -91.76 143.25 11.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -46.13 -26.49 0.77 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -71.7 -65.06 0.81 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.708 ' H ' HG23 ' A' ' 88' ' ' VAL . 25.6 mt-10 -56.76 -49.91 73.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.878 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 27.4 m -49.8 -54.75 17.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 50.9 ttt180 -55.85 -52.38 64.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.3 t -52.98 -50.96 63.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 21.5 tp -54.57 -62.1 1.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.924 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 70.1 mt -39.13 -59.59 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.12 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.47 -57.22 12.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -46.42 -43.79 16.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.508 ' HG2' ' CD2' ' A' ' 139' ' ' TRP . 43.9 tpt85 -68.8 -42.24 77.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 -58.94 -57.82 11.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -55.54 -39.06 73.18 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.51 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.436 ' O ' ' C ' ' A' ' 103' ' ' ASP . 65.0 mtp -76.93 -18.39 58.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.819 0.342 . . . . 0.0 110.893 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 102' ' ' MET . 7.3 t70 -35.61 -52.7 0.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 103' ' ' ASP . . . -37.03 -54.99 1.48 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.537 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 39.0 mt -54.7 -50.93 67.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.844 0.354 . . . . 0.0 110.93 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.634 ' CD1' HD13 ' A' ' 115' ' ' LEU . 62.7 m-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 6.5 mptt . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.802 0.334 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 52.7 p-80 -64.71 -34.02 77.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.634 HD13 ' CD1' ' A' ' 106' ' ' PHE . 83.9 mt -65.27 -49.56 69.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 11.4 m95 -54.82 -59.13 5.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 118' ' ' GLN . 10.6 pt-20 -52.29 -35.91 51.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.906 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.404 ' N ' ' HG3' ' A' ' 117' ' ' GLU . 26.7 mt-30 -61.7 -48.32 81.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 23.7 mt -58.05 -44.33 86.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 28.7 p -60.12 -48.33 82.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.2 m -62.4 -42.87 99.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.849 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 41.1 mttt -61.35 -54.1 48.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 33.3 mmm -48.9 -54.96 13.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 26.4 ttm-85 -48.09 -47.58 34.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -60.36 -42.76 96.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 9.5 mmpt? -63.39 -47.14 83.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 146.73 34.54 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.481 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.568 ' CD1' ' HG2' ' A' ' 91' ' ' GLU . 25.4 m-85 -139.28 106.4 5.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.352 . . . . 0.0 110.908 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -86.47 94.15 9.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -141.05 139.85 34.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 21.2 m -66.1 156.3 84.85 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.634 0.731 . . . . 0.0 110.857 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -45.32 1.65 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.67 2.246 . . . . 0.0 112.391 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 1.2 p -58.37 -29.76 66.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 41.9 mmm -65.18 -40.11 93.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 83.3 m -70.53 -35.35 73.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 98.1 m -62.31 -48.97 77.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.153 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -68.48 -49.99 55.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' LYS . . . . . 0.44 ' NZ ' HD11 ' A' ' 142' ' ' LEU . 26.0 tptp -53.05 -50.76 63.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 139' ' ' TRP . . . . . 0.508 ' CD2' ' HG2' ' A' ' 99' ' ' ARG . 74.7 t-105 -53.66 -51.69 62.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 31.1 mtt180 -46.91 -44.92 20.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -63.83 -38.41 91.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.44 HD11 ' NZ ' ' A' ' 138' ' ' LYS . 72.6 mt -60.92 -32.91 72.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.429 HD21 ' CE2' ' A' ' 139' ' ' TRP . 26.7 mt -70.81 -48.45 54.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -58.42 -42.52 87.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.992 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 23.1 m95 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.84 0.352 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.483 HG22 ' OE2' ' A' ' 91' ' ' GLU . 29.9 m -97.6 168.18 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.148 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.462 ' HG2' ' N ' ' A' ' 90' ' ' ASP . 5.4 pm0 -56.4 -32.44 64.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.462 ' N ' ' HG2' ' A' ' 89' ' ' GLN . 78.1 m-20 -67.76 -63.11 1.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.562 ' HG3' ' CD1' ' A' ' 128' ' ' PHE . 0.9 OUTLIER -56.03 -57.82 10.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.893 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 91.2 m -42.4 -51.95 4.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -61.33 -52.62 63.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.6 t -44.71 -44.79 9.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.854 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 24.9 tp -66.89 -60.28 2.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 68.3 mt -38.63 -52.53 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 91.7 mtp -55.33 -60.88 2.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.82 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.568 ' CD1' ' HE2' ' A' ' 122' ' ' LYS . 20.1 m-85 -47.69 -43.76 26.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.854 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.554 ' NH1' ' CD2' ' A' ' 106' ' ' PHE . 49.1 tpt85 -65.74 -40.42 92.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 45.5 mtt180 -65.86 -45.64 81.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -67.8 -36.17 86.56 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.475 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.429 ' O ' ' C ' ' A' ' 103' ' ' ASP . 44.7 mtp -82.96 -21.38 34.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.819 0.343 . . . . 0.0 110.91 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 102' ' ' MET . 25.0 t0 -36.27 -49.29 0.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.857 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -38.96 -51.06 2.65 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.514 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 21.9 mt -58.2 -59.84 4.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.875 0.369 . . . . 0.0 110.922 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.554 ' CD2' ' NH1' ' A' ' 99' ' ' ARG . 64.2 m-85 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.791 0.329 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 114' ' ' HIS . . . . . 0.561 ' CE1' ' HG ' ' A' ' 115' ' ' LEU . 35.5 p-80 -59.33 -45.41 91.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.836 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.561 ' HG ' ' CE1' ' A' ' 114' ' ' HIS . 81.4 mt -52.21 -48.8 64.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 36.9 m95 -56.61 -46.51 80.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -51.08 -42.34 60.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -61.36 -50.81 71.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 80.8 mt -51.4 -60.88 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 76.8 p -50.24 -53.39 28.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 47.1 t -49.61 -45.49 48.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.823 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.568 ' HE2' ' CD1' ' A' ' 98' ' ' PHE . 21.7 mtpt -58.53 -44.43 89.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 69.0 mmm -51.87 -59.83 3.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.86 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.466 ' CD ' ' HA ' ' A' ' 129' ' ' ASP . 4.2 mmm180 -48.4 -42.89 33.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.919 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -62.93 -45.89 90.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 7.4 mmpt? -63.22 -44.85 94.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 145.09 33.17 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.515 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.562 ' CD1' ' HG3' ' A' ' 91' ' ' GLU . 24.6 m-85 -138.27 107.32 6.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.855 0.359 . . . . 0.0 110.829 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.466 ' HA ' ' CD ' ' A' ' 124' ' ' ARG . 11.9 p-10 -86.57 95.58 9.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -139.26 142.8 37.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.823 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.8 m -67.29 161.15 66.8 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.626 0.727 . . . . 0.0 110.869 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -45.83 1.45 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.687 2.258 . . . . 0.0 112.349 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 10.2 p -58.51 -44.11 89.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 76.1 mmm -48.55 -44.04 36.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.857 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 72.3 m -67.59 -40.75 84.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.855 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 91.2 m -56.68 -55.02 39.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -63.0 -53.56 52.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -48.65 -54.15 15.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' TRP . . . . . 0.646 ' CZ2' HD21 ' A' ' 143' ' ' LEU . 70.1 t-105 -48.99 -52.26 25.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 11.0 mtp180 -48.78 -40.41 28.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.934 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -63.44 -46.23 87.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 51.5 mt -56.1 -44.55 79.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.646 HD21 ' CZ2' ' A' ' 139' ' ' TRP . 55.8 mt -56.6 -49.88 73.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 2.7 mmtp -50.74 -47.01 59.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.932 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 8.2 m95 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.841 0.353 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.578 HG23 ' H ' ' A' ' 91' ' ' GLU . 23.0 m -96.95 138.37 22.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.123 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 88' ' ' VAL . 29.1 pt20 -35.79 -45.16 0.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.926 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.411 ' N ' ' HG3' ' A' ' 89' ' ' GLN . 19.6 m-20 -51.6 -64.8 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.578 ' H ' HG23 ' A' ' 88' ' ' VAL . 62.1 mt-10 -57.27 -60.04 4.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 61.1 m -41.97 -57.08 2.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 7.1 ttm180 -56.76 -45.2 82.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.5 t -56.76 -52.23 65.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 96' ' ' ILE . 22.4 tp -56.19 -62.54 1.64 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.915 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.426 ' C ' ' O ' ' A' ' 95' ' ' LEU . 65.5 mt -36.03 -55.0 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.106 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 10.6 mtp -56.51 -52.1 66.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -52.58 -36.68 56.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.59 ' NH2' ' CZ2' ' A' ' 139' ' ' TRP . 3.6 mmm180 -70.66 -56.9 5.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.86 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -46.65 -47.84 20.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -63.78 -40.1 98.11 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.495 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 40.0 mmm -76.16 -21.02 57.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.772 0.32 . . . . 0.0 110.873 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 104' ' ' GLY . 22.5 t70 -38.03 -53.98 1.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 103' ' ' ASP . . . -35.89 -47.52 0.98 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.513 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 19.4 mt -64.09 -48.97 74.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.835 0.35 . . . . 0.0 110.949 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.613 ' CD1' HD13 ' A' ' 115' ' ' LEU . 75.2 m-85 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 25.2 mmtp . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.857 0.361 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 114' ' ' HIS . . . . . 0.465 ' CE1' ' HG ' ' A' ' 115' ' ' LEU . 20.7 p-80 -63.78 -42.42 97.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.807 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.613 HD13 ' CD1' ' A' ' 106' ' ' PHE . 72.0 mt -56.34 -44.08 79.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.477 ' CZ3' ' HD3' ' A' ' 99' ' ' ARG . 58.5 m95 -60.77 -48.33 82.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -54.41 -41.61 69.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.939 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -57.63 -55.99 27.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 51.1 mt -51.84 -53.39 17.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.118 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.9 t -49.14 -64.83 0.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 22.8 t -47.07 -41.99 17.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.862 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 123' ' ' MET . 33.1 mtpt -58.72 -66.06 0.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' MET . . . . . 0.407 ' C ' ' O ' ' A' ' 122' ' ' LYS . 35.0 mmm -36.45 -58.02 0.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.411 ' HG3' ' CG ' ' A' ' 129' ' ' ASP . 32.0 ttp180 -47.22 -57.14 5.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -54.8 -42.98 72.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 20.6 mmtt -59.37 -41.63 89.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 155.3 -23.84 0.58 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.471 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.5 ' CD1' ' HG2' ' A' ' 91' ' ' GLU . 49.8 m-85 -98.97 103.58 15.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.855 0.36 . . . . 0.0 110.895 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.411 ' CG ' ' HG3' ' A' ' 124' ' ' ARG . 21.9 t0 -84.07 109.26 17.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -139.52 158.75 43.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.8 m -80.3 160.83 66.98 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.667 0.746 . . . . 0.0 110.868 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -36.09 11.38 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.638 2.225 . . . . 0.0 112.378 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 9.3 p -70.73 -43.39 68.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.134 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 97.7 mmm -51.52 -42.79 61.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 73.2 m -70.2 -42.37 72.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 89.2 m -58.09 -49.34 77.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -67.47 -51.39 51.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 25.8 tptt -51.82 -51.19 58.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' TRP . . . . . 0.59 ' CZ2' ' NH2' ' A' ' 99' ' ' ARG . 72.6 t-105 -52.67 -55.26 23.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 67.5 mtt-85 -44.66 -46.14 10.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 -59.0 -40.96 86.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.454 HD12 ' HA ' ' A' ' 139' ' ' TRP . 74.2 mt -60.3 -43.77 96.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.587 HD21 ' CE2' ' A' ' 139' ' ' TRP . 36.8 mt -60.42 -37.82 82.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.96 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.24 -46.68 85.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 179.955 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.425 ' HH2' ' HG ' ' A' ' 135' ' ' CYS . 30.9 m95 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.816 0.341 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.416 ' O ' ' C ' ' A' ' 89' ' ' GLN . 12.0 m -115.1 143.05 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.15 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 88' ' ' VAL . 11.8 tt0 -37.0 -42.74 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.941 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -52.35 -68.1 0.2 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.871 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.545 ' HG2' ' CD1' ' A' ' 128' ' ' PHE . 48.6 mt-10 -54.75 -59.48 4.66 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.7 m -40.0 -51.42 2.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.141 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 3.8 tmm_? -57.19 -56.78 17.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.4 t -50.45 -49.25 55.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 96' ' ' ILE . 20.7 tp -56.57 -67.37 0.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.432 ' C ' ' O ' ' A' ' 95' ' ' LEU . 85.8 mt -35.61 -53.49 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.149 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 24.6 ttm -59.51 -45.91 90.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 3.0 m-30 -55.25 -47.43 75.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.867 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.523 ' HG2' ' CE2' ' A' ' 139' ' ' TRP . 37.5 tpt85 -65.5 -40.82 93.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -62.1 -45.07 95.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -65.03 -44.25 94.63 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.494 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 64.9 mtp -81.07 -11.02 59.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.725 0.297 . . . . 0.0 110.838 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -39.63 -43.87 1.41 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.927 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -47.16 -45.71 20.78 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.46 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.408 ' HB3' HD21 ' A' ' 115' ' ' LEU . 39.5 mt -63.17 -47.08 84.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.85 0.357 . . . . 0.0 110.905 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.491 ' CD2' ' CZ ' ' A' ' 99' ' ' ARG . 49.4 m-85 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 52.6 mmtt . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.806 0.336 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 49.3 p-80 -54.56 -32.14 57.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.474 HD13 ' CD1' ' A' ' 106' ' ' PHE . 96.1 mt -64.85 -44.88 88.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 12.6 m95 -59.1 -51.46 69.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.47 -34.73 74.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -68.97 -45.64 70.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.922 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 69.6 mt -59.25 -42.88 88.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 63.6 p -59.27 -61.13 2.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 58.8 p -47.69 -49.26 28.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 28.9 mttm -50.67 -42.21 56.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 91.1 mtp -62.48 -41.15 98.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.864 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 17.0 mtm180 -57.21 -47.21 81.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -56.57 -32.54 65.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.476 ' N ' ' HE2' ' A' ' 126' ' ' LYS . 0.4 OUTLIER -77.73 -27.35 50.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.937 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 131.4 -11.34 5.52 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.488 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.545 ' CD1' ' HG2' ' A' ' 91' ' ' GLU . 24.0 m-85 -91.49 107.81 19.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.887 0.375 . . . . 0.0 110.889 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 5.9 p30 -96.53 92.97 6.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -133.51 133.38 42.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.9 m -53.7 161.23 1.69 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.684 0.754 . . . . 0.0 110.828 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -50.77 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.647 2.231 . . . . 0.0 112.33 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -56.46 -37.77 70.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 86.5 mmm -48.7 -58.4 4.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' CYS . . . . . 0.425 ' HG ' ' HH2' ' A' ' 87' ' ' TRP . 73.1 m -61.43 -33.47 73.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.896 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 40.0 m -61.38 -52.49 64.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.162 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -70.38 -46.71 63.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 39.8 tptt -59.89 -40.06 87.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' TRP . . . . . 0.782 ' CZ2' HD21 ' A' ' 143' ' ' LEU . 49.5 t-105 -60.19 -55.0 39.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.942 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 17.0 mtp180 -48.32 -45.5 35.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.896 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 17.2 t30 -61.26 -42.4 98.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 27.8 mt -55.77 -36.36 67.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.782 HD21 ' CZ2' ' A' ' 139' ' ' TRP . 17.9 mt -69.59 -42.07 74.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.938 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.06 -41.69 99.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.882 179.987 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.591 ' CD2' ' NH1' ' A' ' 130' ' ' ARG . 15.6 m95 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.803 0.335 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.446 HG23 ' H ' ' A' ' 91' ' ' GLU . 34.9 m -108.03 149.53 11.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 88' ' ' VAL . 13.2 tt0 -36.07 -55.25 0.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.97 -64.21 0.8 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.454 ' N ' ' OE1' ' A' ' 91' ' ' GLU . 1.4 mp0 -54.33 -61.64 2.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.931 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.615 HG22 ' CD1' ' A' ' 96' ' ' ILE . 89.6 m -39.81 -56.46 1.76 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.142 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -52.56 -44.58 65.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.436 ' O ' ' CD2' ' A' ' 98' ' ' PHE . 2.2 t -61.18 -52.6 64.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.865 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 12.9 tp -58.09 -46.58 85.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.615 ' CD1' HG22 ' A' ' 92' ' ' THR . 64.2 mt -56.63 -73.13 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.174 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 11.7 tpp -41.29 -49.98 3.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.436 ' CD2' ' O ' ' A' ' 94' ' ' SER . 3.4 m-85 -48.33 -52.99 19.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.864 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.443 ' NH1' ' OD1' ' A' ' 103' ' ' ASP . 0.1 OUTLIER -55.29 -58.04 9.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.87 -179.907 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.448 ' O ' ' CB ' ' A' ' 103' ' ' ASP . 13.7 mtm180 -44.84 -58.91 2.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.823 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -47.28 -43.38 19.13 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.529 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 77.9 mtp -79.87 -14.03 58.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.84 0.352 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.448 ' CB ' ' O ' ' A' ' 100' ' ' ARG . 22.3 t0 -41.07 -27.48 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -59.46 -43.92 97.1 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.475 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 18.0 mt -68.1 -42.68 79.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.854 0.359 . . . . 0.0 110.928 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.737 ' CD1' HD13 ' A' ' 115' ' ' LEU . 56.8 m-85 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 39.2 mmtm . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.778 0.323 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 114' ' ' HIS . . . . . 0.469 ' CG ' ' N ' ' A' ' 115' ' ' LEU . 36.7 p-80 -64.01 -46.29 85.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.853 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.737 HD13 ' CD1' ' A' ' 106' ' ' PHE . 41.7 mt -50.64 -41.22 54.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 48.4 m95 -64.59 -55.65 19.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -47.39 -37.07 10.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -64.06 -53.88 42.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 82.0 mt -48.39 -44.42 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 28.4 t -57.75 -57.23 13.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.808 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 59.7 p -45.82 -50.88 13.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 55.9 mttt -50.88 -55.08 18.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.901 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 34.8 mmm -46.15 -56.28 5.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 54.9 mtt180 -49.57 -38.25 30.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -65.03 -43.08 93.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.476 ' HE3' ' N ' ' A' ' 126' ' ' LYS . 0.1 OUTLIER -69.34 -52.74 24.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.911 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 127' ' ' GLY . . . . . 0.52 ' O ' ' CD1' ' A' ' 128' ' ' PHE . . . 154.89 34.27 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.498 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.52 ' CD1' ' O ' ' A' ' 127' ' ' GLY . 24.7 m-85 -142.83 105.87 4.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.92 0.391 . . . . 0.0 110.865 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.86 99.99 12.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.591 ' NH1' ' CD2' ' A' ' 87' ' ' TRP . 20.6 mmt85 -140.43 130.62 24.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.5 m -55.5 159.35 4.82 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.648 0.737 . . . . 0.0 110.882 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -45.14 1.66 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.697 2.265 . . . . 0.0 112.308 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -55.43 -42.06 73.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.182 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 61.7 mmm -58.5 -39.44 80.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 77.5 m -68.17 -37.34 80.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.845 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 15.7 m -60.65 -59.97 4.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.199 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -58.36 -45.99 87.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 21.7 tptt -49.02 -46.74 44.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' TRP . . . . . 0.792 ' NE1' HD21 ' A' ' 143' ' ' LEU . 62.1 t-105 -59.4 -54.93 41.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.976 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.28 -44.51 2.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -63.13 -48.1 79.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 28.4 mt -50.82 -42.66 58.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.792 HD21 ' NE1' ' A' ' 139' ' ' TRP . 18.3 mt -61.59 -49.73 75.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.72 -38.78 61.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.928 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.856 179.964 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 25.3 m95 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.869 0.366 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.545 HG22 ' CD ' ' A' ' 91' ' ' GLU . 35.7 m -110.51 176.85 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.464 ' HG2' ' N ' ' A' ' 90' ' ' ASP . 0.3 OUTLIER -64.31 -34.29 77.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.464 ' N ' ' HG2' ' A' ' 89' ' ' GLN . 74.3 m-20 -66.86 -62.76 1.28 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.545 ' CD ' HG22 ' A' ' 88' ' ' VAL . 1.2 mp0 -53.72 -56.65 15.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.55 HG22 ' CD1' ' A' ' 96' ' ' ILE . 96.9 m -46.03 -57.13 4.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.173 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.5 ttm180 -49.16 -58.5 4.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.404 ' O ' ' CD2' ' A' ' 98' ' ' PHE . 1.7 t -45.55 -50.62 12.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 96' ' ' ILE . 15.6 tp -62.16 -65.38 0.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.55 ' CD1' HG22 ' A' ' 92' ' ' THR . 98.1 mt -37.43 -47.98 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.12 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 48.4 mtp -63.82 -54.12 39.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.404 ' CD2' ' O ' ' A' ' 94' ' ' SER . 17.5 m-85 -49.02 -42.76 39.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.858 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.585 ' HG2' ' CH2' ' A' ' 139' ' ' TRP . 6.8 tpt180 -66.26 -42.14 88.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 62.8 mtp85 -59.0 -57.55 12.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -53.7 -44.71 69.5 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.555 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.435 ' O ' ' C ' ' A' ' 103' ' ' ASP . 66.4 mtp -73.0 -21.95 60.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.741 0.305 . . . . 0.0 110.877 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 102' ' ' MET . 26.3 t0 -35.39 -52.75 0.64 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 103' ' ' ASP . . . -37.65 -45.24 1.43 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.512 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 57.7 mt -64.41 -46.71 82.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.853 0.359 . . . . 0.0 110.9 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.577 ' CD1' HD13 ' A' ' 115' ' ' LEU . 69.9 m-85 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.906 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.774 0.321 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 114' ' ' HIS . . . . . 0.511 ' CE1' ' HG ' ' A' ' 115' ' ' LEU . 9.3 p-80 -63.89 -38.51 91.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.886 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.577 HD13 ' CD1' ' A' ' 106' ' ' PHE . 96.1 mt -62.97 -40.05 96.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 27.2 m95 -61.31 -58.75 7.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -52.34 -31.6 34.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -66.68 -48.02 70.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 96.2 mt -55.28 -50.42 64.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 60.3 p -54.79 -46.63 74.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 57.8 m -59.04 -49.29 78.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 28.2 mttm -54.91 -50.97 67.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 35.1 mmm -49.33 -53.84 20.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 3.5 mtp-105 -52.52 -38.53 59.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -62.88 -40.5 97.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.47 ' N ' ' HE2' ' A' ' 126' ' ' LYS . 0.6 OUTLIER -72.48 -40.84 66.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.911 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 142.11 38.84 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.474 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -143.17 110.07 5.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.833 0.349 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -96.15 94.23 7.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 17.2 mmt180 -135.16 132.69 38.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.1 m -52.91 160.43 1.49 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.673 0.749 . . . . 0.0 110.829 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -49.73 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.638 2.226 . . . . 0.0 112.325 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -57.43 -38.14 73.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.173 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 92.4 mmm -50.72 -50.41 55.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 97.5 m -67.9 -31.27 70.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 19.0 m -64.12 -48.95 74.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -71.71 -47.81 51.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 25.2 tptt -59.72 -40.55 88.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' TRP . . . . . 0.783 ' CZ2' HD21 ' A' ' 143' ' ' LEU . 45.8 t-105 -60.16 -54.91 40.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.929 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -48.87 -43.01 38.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -63.58 -42.2 98.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.495 HD13 HG12 ' A' ' 96' ' ' ILE . 29.8 mt -55.72 -35.39 66.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.783 HD21 ' CZ2' ' A' ' 139' ' ' TRP . 27.8 mt -69.3 -50.34 47.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.85 -41.18 73.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 145' ' ' GLU . . . . . 0.402 ' HG2' ' O ' ' A' ' 142' ' ' LEU . 13.1 pt-20 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 18.8 m95 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.824 0.345 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.417 ' O ' ' C ' ' A' ' 89' ' ' GLN . 21.4 m -104.2 155.7 5.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.139 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 88' ' ' VAL . 0.7 OUTLIER -37.04 -53.92 0.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.9 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -52.81 -69.94 0.1 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.845 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -41.98 -48.97 4.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 98.7 m -61.18 -37.57 83.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.151 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 -69.13 -45.98 68.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.845 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 t -59.97 -48.11 83.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 16.4 tp -55.5 -67.83 0.25 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 98.6 mt -37.71 -53.39 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 30.8 tpp -48.98 -60.37 2.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.513 ' CE1' ' HE2' ' A' ' 122' ' ' LYS . 39.2 m-85 -51.52 -40.93 60.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.858 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.561 ' HG2' ' CZ3' ' A' ' 139' ' ' TRP . 37.3 tpt85 -61.3 -36.2 79.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 27.4 mtt180 -72.67 -48.37 39.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -63.68 -20.94 64.53 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.519 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 45.1 mtp -102.69 -11.62 18.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.8 0.333 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 104' ' ' GLY . 0.4 OUTLIER -40.62 -43.26 1.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.813 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.421 ' N ' ' OD1' ' A' ' 103' ' ' ASP . . . -44.47 -42.43 7.24 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.461 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.472 ' HB3' HD21 ' A' ' 115' ' ' LEU . 38.5 mt -72.81 -35.63 67.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.786 0.327 . . . . 0.0 110.875 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.43 ' CZ ' ' HB3' ' A' ' 115' ' ' LEU . 72.5 m-85 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.787 0.327 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' HIS . . . . . 0.53 ' CE1' ' HG ' ' A' ' 115' ' ' LEU . 22.9 p-80 -51.29 -26.84 8.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.839 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.53 ' HG ' ' CE1' ' A' ' 114' ' ' HIS . 72.9 mt -71.25 -50.58 31.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 9.7 m95 -54.95 -52.3 63.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -61.67 -32.69 72.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -66.57 -46.38 76.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 83.2 mt -58.76 -46.65 90.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.109 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 26.4 p -54.82 -59.52 4.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.798 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 43.5 m -45.18 -51.84 10.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.852 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.513 ' HE2' ' CE1' ' A' ' 98' ' ' PHE . 30.5 mtpt -49.76 -67.29 0.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' MET . . . . . 0.431 ' C ' ' O ' ' A' ' 122' ' ' LYS . 32.9 mmm -34.51 -54.48 0.53 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 14.7 ttt180 -50.39 -50.85 50.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -54.99 -39.96 69.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.96 -37.52 75.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 146.86 -10.49 1.4 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -99.3 103.52 15.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.83 0.348 . . . . 0.0 110.898 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' A' ' 129' ' ' ASP . 1.9 p30 -90.2 102.31 15.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 43.0 mmt-85 -141.33 145.98 36.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.4 m -69.9 160.39 80.4 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.671 0.748 . . . . 0.0 110.87 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 -41.17 4.56 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.672 2.248 . . . . 0.0 112.404 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.13 -37.38 74.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' MET . . . . . 0.404 ' CE ' ' HA ' ' A' ' 134' ' ' MET . 1.7 mmt -58.63 -46.97 85.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 70.9 m -62.69 -38.42 90.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 78.5 m -62.45 -59.58 4.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.161 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -61.82 -46.34 89.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 35.5 tptt -56.47 -47.46 79.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' TRP . . . . . 0.594 ' HA ' HD12 ' A' ' 142' ' ' LEU . 71.3 t-105 -54.04 -49.5 68.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.941 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -51.52 -48.32 63.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -56.94 -43.51 81.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.594 HD12 ' HA ' ' A' ' 139' ' ' TRP . 45.8 mt -56.33 -42.27 77.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 34.1 mt -60.99 -44.66 97.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.34 -47.79 69.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.833 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 14.5 m95 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.802 0.334 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.8 m -97.15 165.99 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.17 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.405 ' HG3' ' N ' ' A' ' 90' ' ' ASP . 26.9 pt20 -54.46 -45.04 73.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.931 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.405 ' N ' ' HG3' ' A' ' 89' ' ' GLN . 68.2 m-20 -51.49 -65.68 0.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.471 ' HG2' ' CD1' ' A' ' 128' ' ' PHE . 73.5 mt-10 -59.18 -62.74 1.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 91' ' ' GLU . 85.3 m -36.88 -50.89 0.88 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.164 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.8 ttt85 -59.21 -51.28 70.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.3 t -54.23 -54.38 40.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.843 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 18.5 tp -51.6 -64.73 0.72 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 66.8 mt -42.69 -44.05 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 9.5 mmt -61.02 -59.16 5.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.876 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -46.76 -39.58 11.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.544 ' CB ' ' CZ3' ' A' ' 139' ' ' TRP . 4.0 mmm180 -68.13 -40.51 82.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 28.2 mtp85 -68.23 -42.21 80.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -66.98 -40.13 93.34 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.503 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 54.0 mtp -88.14 -8.94 54.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.772 0.32 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.27 -45.48 2.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -38.75 -45.8 2.1 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.476 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.439 HD13 ' CD2' ' A' ' 115' ' ' LEU . 60.1 mt -66.25 -49.84 65.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.884 0.373 . . . . 0.0 110.942 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.51 ' CD1' HD13 ' A' ' 115' ' ' LEU . 81.9 m-85 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.855 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 41.6 tttt . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.761 0.315 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 48.3 p-80 -58.19 -38.26 76.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.858 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.51 HD13 ' CD1' ' A' ' 106' ' ' PHE . 55.9 mt -62.58 -42.1 99.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.878 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 19.0 m95 -59.3 -57.58 12.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -52.21 -34.48 45.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -70.65 -56.47 6.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.959 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 67.6 mt -51.32 -58.26 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.159 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -52.21 -52.83 49.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 6.0 m -51.03 -49.82 59.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 29.8 mtpt -53.35 -46.79 69.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.914 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 36.2 mmm -51.55 -51.33 56.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 13.7 mtt-85 -54.25 -40.51 67.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -63.9 -40.15 95.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.476 ' N ' ' HE2' ' A' ' 126' ' ' LYS . 0.5 OUTLIER -69.49 -28.57 66.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.902 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 135.8 -10.3 4.25 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.474 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.471 ' CD1' ' HG2' ' A' ' 91' ' ' GLU . 22.8 m-85 -97.31 105.91 18.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.88 0.371 . . . . 0.0 110.879 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -95.21 97.66 10.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -135.38 133.76 39.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 6.7 m -51.24 152.48 4.14 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.628 0.728 . . . . 0.0 110.854 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -36.79 10.12 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.65 2.233 . . . . 0.0 112.39 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -63.36 -36.78 84.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 76.3 mmm -59.49 -47.77 84.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 47.7 m -61.65 -38.11 86.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 84.9 m -61.3 -61.14 2.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.171 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -61.53 -44.13 97.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 38.8 tptt -51.9 -47.15 64.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' TRP . . . . . 0.544 ' CZ3' ' CB ' ' A' ' 99' ' ' ARG . 64.8 t-105 -58.68 -53.28 60.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.922 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.99 -46.98 5.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 33.5 t30 -61.05 -45.65 93.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 40.2 mt -52.68 -35.93 56.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.446 HD21 ' NE1' ' A' ' 139' ' ' TRP . 33.4 mt -69.52 -44.86 70.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 25.1 tptp -61.14 -43.58 98.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.907 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.953 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.584 ' CZ2' ' HD3' ' A' ' 130' ' ' ARG . 14.5 m95 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.824 0.345 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.688 HG23 ' H ' ' A' ' 91' ' ' GLU . 34.7 m -104.11 138.04 30.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.164 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.454 ' HG3' ' N ' ' A' ' 90' ' ' ASP . 11.7 pt20 -34.07 -40.84 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.454 ' N ' ' HG3' ' A' ' 89' ' ' GLN . 3.4 m-20 -58.94 -62.56 1.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.688 ' H ' HG23 ' A' ' 88' ' ' VAL . 40.7 mt-10 -61.17 -47.01 88.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 66.6 m -53.77 -48.85 69.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 16.5 ttm-85 -67.44 -43.57 80.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.438 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 88.3 p -57.33 -35.29 69.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 23.1 tp -73.69 -60.82 2.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.947 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.428 HG22 ' HD2' ' A' ' 100' ' ' ARG . 62.0 mt -38.34 -47.5 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 86.0 mmm -64.73 -51.11 64.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.438 ' CD1' ' O ' ' A' ' 94' ' ' SER . 3.2 m-85 -49.75 -48.0 50.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.647 ' NH1' ' CZ ' ' A' ' 106' ' ' PHE . 6.0 mmm180 -60.88 -57.9 10.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.843 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.428 ' HD2' HG22 ' A' ' 96' ' ' ILE . 40.8 mtp85 -39.34 -44.13 1.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -71.18 -42.38 58.17 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.531 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.452 ' O ' ' C ' ' A' ' 103' ' ' ASP . 72.8 mmm -69.33 -22.61 63.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.807 0.336 . . . . 0.0 110.9 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 102' ' ' MET . 2.7 t0 -34.04 -46.95 0.25 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -54.97 -56.86 20.96 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.471 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.565 ' HB3' HD21 ' A' ' 115' ' ' LEU . 40.2 mt -49.18 -36.49 19.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.876 0.37 . . . . 0.0 110.927 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.647 ' CZ ' ' NH1' ' A' ' 99' ' ' ARG . 71.7 m-85 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 43.8 mmtt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.784 0.326 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 114' ' ' HIS . . . . . 0.557 ' CE1' ' HG ' ' A' ' 115' ' ' LEU . 16.8 p-80 -58.92 -37.5 76.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.565 HD21 ' HB3' ' A' ' 105' ' ' LEU . 88.1 mt -63.1 -42.69 99.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.909 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.579 ' CH2' ' HA ' ' A' ' 136' ' ' THR . 21.4 m95 -57.52 -58.89 6.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.949 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.456 ' HG3' ' N ' ' A' ' 118' ' ' GLN . 8.1 pt-20 -51.3 -35.47 37.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.456 ' N ' ' HG3' ' A' ' 117' ' ' GLU . 18.2 mt-30 -61.75 -43.59 98.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.883 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 80.9 mt -59.81 -50.96 78.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 13.7 t -55.06 -56.58 18.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.817 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 23.0 t -53.13 -45.43 68.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 44.8 mttm -60.34 -54.34 46.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 37.2 mmm -46.26 -57.16 4.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.842 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 24.0 ttp180 -48.35 -48.41 36.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -56.35 -43.1 78.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.856 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.435 ' N ' ' HE2' ' A' ' 126' ' ' LYS . 0.0 OUTLIER -67.48 -48.91 65.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 150.7 34.33 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.521 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.587 ' CD1' ' HG2' ' A' ' 91' ' ' GLU . 43.3 m-85 -142.15 105.13 4.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.866 0.365 . . . . 0.0 110.869 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -89.87 95.7 10.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.584 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 6.9 mmp_? -139.77 130.09 25.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 19.4 m -52.6 152.8 6.18 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.664 0.745 . . . . 0.0 110.824 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -34.69 14.07 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.704 2.269 . . . . 0.0 112.32 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 1.6 p -67.15 -39.3 86.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.179 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 72.5 mmm -57.38 -39.29 75.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 56.8 m -70.34 -40.48 74.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' THR . . . . . 0.579 ' HA ' ' CH2' ' A' ' 116' ' ' TRP . 52.7 m -56.29 -52.43 64.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.157 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -67.57 -44.04 79.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 44.9 tptt -56.96 -46.54 82.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 72.5 t-105 -57.69 -50.37 73.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 27.6 mtp180 -51.72 -45.0 63.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -58.63 -43.06 89.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 87.3 mt -58.18 -41.98 85.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 41.0 mt -60.68 -40.8 93.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.939 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.08 -51.93 65.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.945 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 42.5 m95 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.778 0.323 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.425 HG23 ' H ' ' A' ' 91' ' ' GLU . 5.8 m -106.31 143.81 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 88' ' ' VAL . 31.2 tt0 -36.77 -52.5 0.91 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.96 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -47.08 -67.84 0.24 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.468 ' HG2' ' CD1' ' A' ' 128' ' ' PHE . 48.0 mt-10 -52.59 -60.44 3.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.906 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 15.4 m -40.73 -49.35 3.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.133 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.6 -52.86 63.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.1 t -54.83 -42.88 72.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 14.2 tp -63.6 -63.29 1.22 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 69.2 mt -42.77 -44.77 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 6.5 tpt -63.32 -60.81 2.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -46.21 -43.68 15.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.635 ' NH1' ' CZ ' ' A' ' 106' ' ' PHE . 10.8 tpt180 -61.69 -42.86 99.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.864 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 28.1 mtt-85 -65.31 -54.17 32.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -56.55 -24.03 45.32 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.486 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 46.9 mtp -97.41 -12.93 22.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.78 0.324 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.412 ' OD1' ' C ' ' A' ' 103' ' ' ASP . 0.1 OUTLIER -40.77 -44.96 2.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.896 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.411 ' N ' ' OD1' ' A' ' 103' ' ' ASP . . . -37.76 -48.58 1.87 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.476 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.455 HD13 ' CD2' ' A' ' 115' ' ' LEU . 23.1 mt -63.82 -56.05 18.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.841 0.353 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.635 ' CZ ' ' NH1' ' A' ' 99' ' ' ARG . 79.5 m-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.76 0.314 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 114' ' ' HIS . . . . . 0.571 ' CE1' ' HG ' ' A' ' 115' ' ' LEU . 27.5 p-80 -60.45 -42.63 96.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.571 ' HG ' ' CE1' ' A' ' 114' ' ' HIS . 90.3 mt -56.48 -46.52 80.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.947 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.602 ' CZ2' ' NH1' ' A' ' 99' ' ' ARG . 77.6 m95 -57.41 -46.57 83.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.932 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -53.51 -41.38 66.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -61.5 -48.74 79.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.935 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 88.0 mt -57.37 -55.3 21.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 76.8 p -48.51 -53.41 18.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.824 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 31.2 t -51.99 -57.93 8.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 16.2 mttm -45.62 -63.74 0.89 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 34.4 mmm -39.71 -57.05 1.6 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 30.3 mtm180 -44.95 -42.59 8.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -69.01 -48.24 63.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.859 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.459 ' HD2' ' N ' ' A' ' 126' ' ' LYS . 7.6 mmmt -52.33 -39.34 60.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 136.02 30.01 0.33 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.508 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.468 ' CD1' ' HG2' ' A' ' 91' ' ' GLU . 27.8 m-85 -140.44 106.57 5.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.846 0.355 . . . . 0.0 110.909 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -87.83 103.67 15.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 10.2 mmp_? -142.07 130.6 22.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' SER . . . . . 0.404 ' HB2' ' CG ' ' A' ' 134' ' ' MET . 6.4 m -50.65 156.49 1.56 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.635 0.731 . . . . 0.0 110.847 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -50.77 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.651 2.234 . . . . 0.0 112.333 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -56.52 -34.93 67.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.161 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' MET . . . . . 0.404 ' CG ' ' HB2' ' A' ' 131' ' ' SER . 79.6 mmm -54.14 -54.93 32.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 99.6 m -60.29 -36.53 78.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.848 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 5.4 m -59.26 -54.71 43.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -66.21 -50.14 64.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 24.4 tptt -51.87 -43.89 63.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' TRP . . . . . 0.571 ' CH2' ' HG2' ' A' ' 99' ' ' ARG . 73.0 t-105 -58.5 -54.0 52.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 18.7 mtp85 -46.43 -44.07 16.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -63.58 -39.43 94.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 32.1 mt -60.59 -31.53 70.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.498 HD21 ' CE2' ' A' ' 139' ' ' TRP . 26.6 mt -74.73 -38.89 62.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 18.3 tptp -69.54 -28.05 65.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.896 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.947 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 20.2 m95 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.826 0.346 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.551 HG23 ' H ' ' A' ' 91' ' ' GLU . 32.6 m -73.34 157.57 6.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -50.62 -50.8 53.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.18 -66.44 0.39 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.551 ' H ' HG23 ' A' ' 88' ' ' VAL . 48.9 mt-10 -51.24 -59.39 4.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 59.8 m -42.35 -55.16 3.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.149 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -61.12 -44.59 97.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.821 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.52 ' O ' ' CD2' ' A' ' 98' ' ' PHE . 47.7 m -55.25 -45.29 76.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 96' ' ' ILE . 24.2 tp -63.21 -65.0 0.75 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.869 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.416 ' C ' ' O ' ' A' ' 95' ' ' LEU . 60.8 mt -36.68 -59.44 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 8.5 tpt -51.29 -57.21 9.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.52 ' CD2' ' O ' ' A' ' 94' ' ' SER . 13.0 m-85 -45.95 -41.59 11.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.547 ' HG2' ' CH2' ' A' ' 139' ' ' TRP . 36.7 tpt85 -66.88 -40.33 87.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.875 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 -57.24 -43.35 82.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -70.8 -42.24 61.58 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.513 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 72.6 mmm -70.14 -21.8 63.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.825 0.345 . . . . 0.0 110.926 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -40.96 -55.6 2.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.826 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -40.3 -47.82 3.62 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.492 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.476 ' HB3' HD21 ' A' ' 115' ' ' LEU . 54.0 mt -57.25 -54.68 44.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.883 0.373 . . . . 0.0 110.899 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.655 ' CD1' HD13 ' A' ' 115' ' ' LEU . 75.5 m-85 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 14.1 mmtm . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.835 0.35 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 114' ' ' HIS . . . . . 0.536 ' CE1' ' HG ' ' A' ' 115' ' ' LEU . 8.0 p-80 -61.36 -41.26 96.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.871 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.655 HD13 ' CD1' ' A' ' 106' ' ' PHE . 89.7 mt -59.77 -36.73 77.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.942 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 13.4 m95 -64.14 -57.27 10.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.935 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.418 ' CG ' ' O ' ' A' ' 114' ' ' HIS . 8.6 pt-20 -52.75 -29.39 26.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.855 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -70.13 -45.91 65.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.96 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 65.3 mt -57.68 -46.02 86.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 59.8 p -57.48 -54.04 51.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 64.8 m -49.42 -50.45 40.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 33.9 mttm -50.35 -60.72 2.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 39.6 mmm -42.22 -63.28 0.77 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.872 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.497 ' HD3' ' CB ' ' A' ' 129' ' ' ASP . 2.7 mmm180 -39.13 -45.57 1.32 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.813 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -65.37 -51.79 58.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.44 -46.41 73.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' GLY . . . . . 0.445 ' O ' ' CD1' ' A' ' 128' ' ' PHE . . . 144.11 32.58 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.498 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.527 ' CD1' ' HG2' ' A' ' 91' ' ' GLU . 31.1 m-85 -143.53 105.58 4.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.824 0.345 . . . . 0.0 110.855 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.497 ' CB ' ' HD3' ' A' ' 124' ' ' ARG . 15.0 p-10 -85.02 98.59 10.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.454 ' HA ' ' NE ' ' A' ' 130' ' ' ARG . 4.8 mmp_? -136.1 125.62 25.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.3 m -54.95 160.03 3.31 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.69 0.757 . . . . 0.0 110.866 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -50.88 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.669 2.246 . . . . 0.0 112.339 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 1.2 p -51.44 -45.57 62.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.183 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 98.1 mmm -50.97 -46.19 61.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 96.7 m -64.72 -39.63 93.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 86.4 m -59.32 -56.68 18.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.171 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -62.93 -56.04 20.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 25.5 tptt -47.83 -49.79 28.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' TRP . . . . . 0.547 ' CH2' ' HG2' ' A' ' 99' ' ' ARG . 68.9 t-105 -52.34 -55.13 23.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.927 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 140' ' ' ARG . . . . . 0.431 ' NH1' ' HB3' ' A' ' 140' ' ' ARG . 6.3 mtp-105 -47.2 -44.21 22.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.861 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -60.62 -41.85 95.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 51.0 mt -58.36 -33.9 70.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.94 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.465 HD21 ' CE2' ' A' ' 139' ' ' TRP . 23.5 mt -69.28 -44.52 71.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.86 -42.86 94.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.974 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 14.8 m95 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.868 0.366 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.44 HG23 ' H ' ' A' ' 91' ' ' GLU . 13.9 m -108.78 150.45 11.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.099 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -37.12 -53.56 1.01 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -48.92 -60.28 2.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.44 ' H ' HG23 ' A' ' 88' ' ' VAL . 53.6 mt-10 -63.37 -62.14 1.88 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.587 HG22 ' CD1' ' A' ' 96' ' ' ILE . 19.5 m -40.33 -56.1 2.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.137 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.87 -47.47 71.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.8 t -54.14 -49.72 68.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.8 tp -63.05 -62.35 1.77 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.587 ' CD1' HG22 ' A' ' 92' ' ' THR . 63.4 mt -39.71 -63.88 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.181 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 11.7 tpt -44.68 -59.18 2.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -47.22 -44.36 22.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.527 ' HG2' ' CE2' ' A' ' 139' ' ' TRP . 29.8 tpt85 -63.78 -51.23 65.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.847 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 57.1 mtp85 -47.46 -35.06 8.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -75.59 -48.63 10.17 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.491 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 69.4 mmm -69.45 -10.78 59.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.78 0.324 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 104' ' ' GLY . 5.0 t0 -43.82 -59.82 2.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 103' ' ' ASP . . . -35.86 -36.94 0.14 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.479 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.483 HD13 ' CD2' ' A' ' 115' ' ' LEU . 18.8 mt -72.77 -59.03 2.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.813 0.339 . . . . 0.0 110.912 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 179.91 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.806 0.336 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' HIS . . . . . 0.425 ' CE1' ' HG ' ' A' ' 115' ' ' LEU . 42.4 p-80 -51.41 -40.11 58.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.483 ' CD2' HD13 ' A' ' 105' ' ' LEU . 97.6 mt -56.05 -53.79 52.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.575 ' CZ2' ' HA ' ' A' ' 136' ' ' THR . 37.3 m95 -52.33 -47.47 66.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -50.62 -47.26 58.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.83 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -58.58 -58.25 9.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 79.3 mt -52.95 -62.63 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -46.12 -54.1 9.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 47.6 t -50.01 -57.01 8.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.804 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.403 ' O ' ' N ' ' A' ' 125' ' ' GLU . 35.6 mttt -47.64 -58.74 3.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.89 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 23.5 mmm -40.39 -56.48 2.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -53.63 -34.14 57.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.822 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 122' ' ' LYS . 33.2 mt-10 -71.45 -42.66 67.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.46 ' HD2' ' N ' ' A' ' 126' ' ' LYS . 6.8 mmmm -57.45 -52.94 63.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' GLY . . . . . 0.423 ' O ' ' CD1' ' A' ' 128' ' ' PHE . . . 153.37 33.69 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.423 ' CD1' ' O ' ' A' ' 127' ' ' GLY . 34.0 m-85 -143.69 106.5 4.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.909 0.385 . . . . 0.0 110.831 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -82.22 105.29 13.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.837 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 19.6 mmt180 -142.37 140.02 31.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 4.3 m -63.32 158.38 57.4 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.664 0.745 . . . . 0.0 110.872 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -50.65 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.64 2.227 . . . . 0.0 112.32 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 15.6 p -50.63 -42.75 56.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.177 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 80.9 mmm -50.28 -45.23 54.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 78.6 m -67.12 -36.41 81.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' THR . . . . . 0.575 ' HA ' ' CZ2' ' A' ' 116' ' ' TRP . 83.0 m -63.96 -53.68 46.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.103 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -70.51 -48.84 53.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.867 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 27.8 tptt -52.8 -43.43 65.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' TRP . . . . . 0.561 ' CE2' HD21 ' A' ' 143' ' ' LEU . 69.4 t-105 -61.37 -56.01 25.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 16.2 mtp180 -44.27 -42.48 6.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -61.59 -50.45 72.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 42.9 mt -47.19 -46.37 23.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.561 HD21 ' CE2' ' A' ' 139' ' ' TRP . 18.7 mt -58.79 -52.14 67.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 42.3 tttt -45.38 -45.45 12.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.985 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 14.1 m95 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.846 0.355 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.55 HG23 ' H ' ' A' ' 91' ' ' GLU . 34.5 m -113.12 154.65 14.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -42.86 -50.19 5.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.27 -63.93 0.98 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.55 ' H ' HG23 ' A' ' 88' ' ' VAL . 40.6 mt-10 -54.65 -62.16 1.84 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.484 HG22 HD11 ' A' ' 96' ' ' ILE . 62.3 m -39.51 -60.32 0.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.16 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.646 ' HA ' HD12 ' A' ' 96' ' ' ILE . 4.7 tpp85 -51.97 -52.55 49.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 15.7 t -45.37 -44.91 12.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.824 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 27.0 tp -69.13 -47.14 65.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.646 HD12 ' HA ' ' A' ' 93' ' ' ARG . 67.1 mt -49.94 -59.37 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.156 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.75 -60.76 2.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -46.33 -37.34 7.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.871 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.638 ' NH1' ' CE2' ' A' ' 106' ' ' PHE . 6.5 tpt180 -68.3 -52.92 28.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 76.7 mtp180 -44.69 -49.62 10.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -63.63 -41.36 99.1 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.472 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.419 ' O ' ' C ' ' A' ' 103' ' ' ASP . 65.9 mmm -70.03 -22.38 63.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.783 0.325 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 102' ' ' MET . 34.2 t70 -36.98 -61.35 0.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 103' ' ' ASP . . . -37.33 -44.16 1.12 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.502 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 16.2 mt -62.92 -56.29 18.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.798 0.332 . . . . 0.0 110.893 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.638 ' CE2' ' NH1' ' A' ' 99' ' ' ARG . 67.7 m-85 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 14.9 mtpt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.767 0.318 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 114' ' ' HIS . . . . . 0.405 ' O ' ' CG ' ' A' ' 117' ' ' GLU . 52.7 p-80 -62.7 -40.52 97.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 61.9 mt -59.19 -48.86 80.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.943 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.58 ' CH2' ' HA ' ' A' ' 136' ' ' THR . 8.8 m95 -54.92 -59.45 4.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.405 ' CG ' ' O ' ' A' ' 114' ' ' HIS . 12.0 pt-20 -51.92 -39.31 58.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -59.51 -55.93 28.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.927 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 74.0 mt -46.31 -50.06 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.099 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 13.5 t -52.25 -48.97 64.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.834 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 54.3 m -53.55 -45.59 69.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.842 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 14.7 mtmt -60.26 -33.05 71.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 68.2 mtp -69.79 -42.28 73.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.22 -48.73 77.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.835 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' A' ' 126' ' ' LYS . 6.8 pt-20 -61.31 -35.0 76.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.456 ' HA ' ' CE ' ' A' ' 126' ' ' LYS . 2.4 mmpt? -72.19 -41.28 67.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.929 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 137.72 36.26 0.17 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.469 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.421 ' CD1' ' HG2' ' A' ' 91' ' ' GLU . 34.9 m-85 -142.36 105.16 4.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.854 0.359 . . . . 0.0 110.868 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 15.2 p-10 -85.1 98.38 10.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -138.68 150.49 46.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 41.6 m -76.27 155.41 84.11 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.667 0.746 . . . . 0.0 110.864 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -38.93 7.2 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.634 2.223 . . . . 0.0 112.37 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -64.92 -32.29 73.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' MET . . . . . 0.475 ' HA ' ' CE ' ' A' ' 134' ' ' MET . 1.2 mmt -64.14 -46.05 85.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 62.9 m -63.66 -39.6 94.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.865 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' THR . . . . . 0.58 ' HA ' ' CH2' ' A' ' 116' ' ' TRP . 74.1 m -57.68 -58.21 9.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.097 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -62.92 -47.89 81.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -52.17 -47.56 65.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 139' ' ' TRP . . . . . 0.579 ' CH2' ' HG2' ' A' ' 99' ' ' ARG . 72.4 t-105 -55.4 -52.72 62.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.947 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 67.8 mtt180 -48.3 -40.32 24.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 19.9 t30 -63.21 -47.11 83.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 139' ' ' TRP . 40.5 mt -52.77 -45.16 67.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.46 HD21 ' CE2' ' A' ' 139' ' ' TRP . 24.7 mt -57.93 -50.69 72.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 5.9 tppt? -48.42 -43.89 34.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 22.6 m95 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.824 0.345 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.578 HG22 ' OE1' ' A' ' 91' ' ' GLU . 25.0 m -102.24 151.57 5.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.075 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 88' ' ' VAL . 40.4 tt0 -37.1 -61.93 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -44.12 -70.02 0.12 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.578 ' OE1' HG22 ' A' ' 88' ' ' VAL . 46.8 mt-10 -42.13 -65.78 0.42 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.9 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 23.1 m -45.06 -37.84 4.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.158 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 43.2 mtt180 -76.49 -30.64 57.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.408 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 5.8 p -66.11 -38.34 87.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 37.9 tp -75.01 -47.81 27.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 53.7 mt -47.27 -52.31 5.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 57.6 mtp -65.13 -46.27 81.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.408 ' CD1' ' O ' ' A' ' 94' ' ' SER . 6.0 m-30 -51.54 -42.38 61.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.895 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.51 ' NH1' ' NE1' ' A' ' 139' ' ' TRP . 9.2 tpt180 -76.82 -39.63 50.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 59.8 mtp180 -61.82 -29.89 70.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -86.61 -32.5 15.53 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.55 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 44.8 mtp -82.61 -15.86 50.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.766 0.317 . . . . 0.0 110.856 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 104' ' ' GLY . 0.7 OUTLIER -38.19 -53.05 1.46 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 103' ' ' ASP . . . -35.97 -43.89 0.69 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.506 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 25.8 mt -65.59 -57.02 9.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.844 0.354 . . . . 0.0 110.912 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.463 ' CD2' HD13 ' A' ' 115' ' ' LEU . 70.3 m-85 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.815 0.34 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 114' ' ' HIS . . . . . 0.401 ' NE2' ' HG ' ' A' ' 115' ' ' LEU . 22.8 p-80 -64.03 -37.65 88.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.812 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.463 HD13 ' CD2' ' A' ' 106' ' ' PHE . 80.5 mt -61.17 -47.92 83.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 68.3 m95 -58.02 -42.51 85.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -59.09 -40.03 84.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -59.13 -55.26 37.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 51.6 mt -49.79 -42.75 18.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.116 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.9 t -54.41 -61.51 2.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.6 t -47.71 -44.03 27.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 123' ' ' MET . 60.3 mttm -60.19 -64.47 0.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' MET . . . . . 0.405 ' C ' ' O ' ' A' ' 122' ' ' LYS . 82.9 mmm -37.21 -38.27 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 70.5 mtt180 -64.77 -52.55 56.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.471 ' CG ' ' HE2' ' A' ' 126' ' ' LYS . 3.6 pt-20 -62.4 -25.81 68.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.471 ' HE2' ' CG ' ' A' ' 125' ' ' GLU . 15.4 mmtt -81.18 17.55 1.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 76.11 14.32 82.38 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.502 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -122.71 103.79 8.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.854 0.359 . . . . 0.0 110.835 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -87.67 102.3 14.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -142.28 144.09 33.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.0 m -68.64 160.57 76.27 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.648 0.737 . . . . 0.0 110.863 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -43.1 2.83 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.632 2.221 . . . . 0.0 112.336 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -61.37 -35.65 78.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.122 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 99.2 mmm -58.21 -51.58 69.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 69.6 m -58.39 -41.06 84.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 85.7 m -58.5 -62.19 2.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -60.61 -42.19 96.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 21.0 tptt -56.27 -46.63 79.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' TRP . . . . . 0.547 ' NE1' HD11 ' A' ' 143' ' ' LEU . 45.2 t-105 -56.99 -49.92 74.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.949 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -52.06 -44.3 64.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.823 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -62.23 -38.35 88.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 32.5 mt -60.8 -35.51 76.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.547 HD11 ' NE1' ' A' ' 139' ' ' TRP . 15.8 mt -70.81 -38.23 73.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 20.1 mmtt -70.14 -39.47 75.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.952 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.94 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 19.9 m95 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.818 0.342 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.584 HG22 ' OE1' ' A' ' 91' ' ' GLU . 34.5 m -90.54 145.54 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.124 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.431 ' HG3' ' N ' ' A' ' 90' ' ' ASP . 17.7 pt20 -37.18 -50.77 0.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.431 ' N ' ' HG3' ' A' ' 89' ' ' GLN . 0.9 OUTLIER -49.92 -51.18 42.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.584 ' OE1' HG22 ' A' ' 88' ' ' VAL . 35.0 mt-10 -66.79 -67.74 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 91' ' ' GLU . 75.1 m -36.91 -53.16 0.95 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.148 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.5 ttt85 -56.83 -57.67 11.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 41.2 t -44.81 -39.39 5.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 16.6 tp -69.24 -62.31 1.43 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.926 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 66.8 mt -41.41 -53.0 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 60.8 mtp -57.36 -53.1 61.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.502 ' HB3' HG23 ' A' ' 119' ' ' ILE . 4.1 m-85 -49.65 -45.1 48.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.528 ' NH2' ' CD1' ' A' ' 106' ' ' PHE . 0.0 OUTLIER -66.9 -43.84 82.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 47.5 mtp180 -56.36 -40.57 74.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -69.63 -40.65 77.16 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.463 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.439 ' O ' ' C ' ' A' ' 103' ' ' ASP . 38.8 mmm -74.59 -14.91 60.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.789 0.328 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 102' ' ' MET . 6.9 t70 -35.45 -53.22 0.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -50.07 -52.7 25.79 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.492 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 28.8 mt -54.89 -51.39 66.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.817 0.341 . . . . 0.0 110.875 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.528 ' CD1' ' NH2' ' A' ' 99' ' ' ARG . 37.6 m-85 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.879 0.371 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 40.9 p-80 -66.27 -35.66 80.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.489 HD13 ' CD1' ' A' ' 106' ' ' PHE . 27.1 mt -64.48 -34.36 78.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.419 ' CH2' ' HA ' ' A' ' 136' ' ' THR . 49.7 m95 -71.78 -60.97 1.96 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -46.03 -36.5 5.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -65.01 -60.11 3.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.502 HG23 ' HB3' ' A' ' 98' ' ' PHE . 88.8 mt -43.32 -46.28 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 77.4 p -59.61 -44.05 93.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 26.3 m -62.94 -42.34 99.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.822 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -58.44 -44.13 89.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.927 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 91.0 mtp -58.53 -58.25 9.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 69.8 mtt180 -45.56 -44.91 13.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -51.47 -41.56 60.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.896 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.404 ' N ' ' HE2' ' A' ' 126' ' ' LYS . 0.1 OUTLIER -72.55 -42.11 65.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.925 179.93 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 143.01 43.31 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.471 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -140.45 106.66 5.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.893 0.378 . . . . 0.0 110.864 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -90.81 95.3 10.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 31.6 mmt-85 -141.24 124.48 16.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.0 m -50.24 160.88 0.64 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.699 0.762 . . . . 0.0 110.828 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -40.28 5.47 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.679 2.253 . . . . 0.0 112.321 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -55.83 -40.91 73.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.089 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 76.3 mmm -55.36 -55.79 27.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 95.4 m -55.52 -31.68 62.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' THR . . . . . 0.419 ' HA ' ' CH2' ' A' ' 116' ' ' TRP . 97.9 m -67.04 -61.51 1.9 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.167 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -61.18 -49.28 77.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 15.6 tptm -52.34 -53.61 42.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 139' ' ' TRP . . . . . 0.559 ' CZ2' HD21 ' A' ' 143' ' ' LEU . 65.6 t-105 -47.99 -56.96 6.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.926 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -46.96 -46.75 21.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.836 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -62.3 -41.36 98.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.477 ' HA ' ' CG ' ' A' ' 145' ' ' GLU . 30.9 mt -56.79 -34.98 68.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.559 HD21 ' CZ2' ' A' ' 139' ' ' TRP . 33.6 mt -69.84 -46.87 64.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.458 ' HE3' ' N ' ' A' ' 144' ' ' LYS . 0.5 OUTLIER -63.93 -39.97 95.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 179.829 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 145' ' ' GLU . . . . . 0.477 ' CG ' ' HA ' ' A' ' 142' ' ' LEU . 1.3 pp20? . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.481 ' CE3' ' HB3' ' A' ' 91' ' ' GLU . 11.1 m95 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.819 0.343 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.45 ' O ' ' C ' ' A' ' 89' ' ' GLN . 6.1 m -111.09 143.92 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.193 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 88' ' ' VAL . 9.3 pt20 -34.39 -52.58 0.49 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -46.25 -51.35 14.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.481 ' HB3' ' CE3' ' A' ' 87' ' ' TRP . 6.8 mm-40 -68.14 -63.08 1.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 53.8 m -40.14 -55.77 2.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -51.97 -61.89 1.97 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.875 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.5 t -47.91 -46.52 31.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.416 HD13 ' SG ' ' A' ' 135' ' ' CYS . 16.2 tp -56.18 -64.46 0.85 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.744 HG22 ' NE ' ' A' ' 100' ' ' ARG . 82.3 mt -40.14 -52.31 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.528 ' N ' HH21 ' A' ' 100' ' ' ARG . 9.2 tpt -50.41 -57.73 7.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.433 ' CE1' ' HB3' ' A' ' 122' ' ' LYS . 43.2 m-85 -47.39 -43.88 23.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.832 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.556 ' NH2' ' CZ2' ' A' ' 139' ' ' TRP . 4.4 mmm180 -66.02 -40.3 90.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.839 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.744 ' NE ' HG22 ' A' ' 96' ' ' ILE . 56.1 mtm180 -63.13 -55.52 24.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -59.49 -28.83 65.52 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.519 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.4 ' O ' ' C ' ' A' ' 103' ' ' ASP . 31.6 mtp -91.23 -17.04 26.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.761 0.315 . . . . 0.0 110.832 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.468 ' OD1' ' N ' ' A' ' 104' ' ' GLY . 0.3 OUTLIER -37.58 -44.88 0.71 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.847 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.468 ' N ' ' OD1' ' A' ' 103' ' ' ASP . . . -43.64 -46.01 7.17 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.458 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 23.7 mt -71.99 -35.68 69.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.841 0.353 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.633 ' CD1' HD13 ' A' ' 115' ' ' LEU . 32.5 m-85 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 7.5 tppt? . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.852 0.358 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 40.9 p-80 -56.89 -42.84 80.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.864 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.633 HD13 ' CD1' ' A' ' 106' ' ' PHE . 58.9 mt -57.17 -44.69 83.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.406 ' CH2' ' HA ' ' A' ' 136' ' ' THR . 7.4 m95 -57.09 -61.36 2.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.928 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 118' ' ' GLN . 8.0 pt-20 -51.22 -38.2 51.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.872 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.443 ' N ' ' HG3' ' A' ' 117' ' ' GLU . 16.6 mt-30 -60.48 -51.44 69.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 93.9 mt -51.99 -48.35 40.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 30.2 t -53.62 -49.45 67.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 40.4 t -57.47 -51.73 68.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.842 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.433 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 54.9 mttm -48.64 -54.74 13.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 27.3 mmm -46.86 -60.12 2.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.843 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.417 ' HD2' ' C ' ' A' ' 124' ' ' ARG . 1.3 tmm_? -50.25 -49.91 51.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.894 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -53.02 -39.63 63.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.47 ' HE2' ' N ' ' A' ' 126' ' ' LYS . 0.3 OUTLIER -74.33 -61.27 1.92 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.913 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 168.47 31.23 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.486 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.439 ' CD1' ' OE2' ' A' ' 91' ' ' GLU . 25.3 m-85 -139.63 108.88 6.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.836 0.35 . . . . 0.0 110.899 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -94.19 100.95 12.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -141.85 145.74 35.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.8 m -67.38 161.37 65.29 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.678 0.751 . . . . 0.0 110.878 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -37.68 8.88 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.689 2.259 . . . . 0.0 112.33 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 2.1 p -59.11 -48.29 82.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 7.7 mtp -47.62 -53.92 13.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' CYS . . . . . 0.416 ' SG ' HD13 ' A' ' 95' ' ' LEU . 96.4 m -57.74 -36.79 72.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.929 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 136' ' ' THR . . . . . 0.406 ' HA ' ' CH2' ' A' ' 116' ' ' TRP . 97.0 m -63.06 -55.36 26.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -65.82 -55.4 17.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.824 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 42.2 tptt -47.96 -50.27 27.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 139' ' ' TRP . . . . . 0.654 ' CZ2' HD21 ' A' ' 143' ' ' LEU . 70.9 t-105 -52.5 -53.75 41.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 18.4 mtp85 -46.31 -45.08 17.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 -59.86 -50.3 74.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.499 HD13 HG12 ' A' ' 96' ' ' ILE . 48.3 mt -49.85 -46.96 51.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.928 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.654 HD21 ' CZ2' ' A' ' 139' ' ' TRP . 28.2 mt -56.82 -45.67 82.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.935 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 24.4 mmtm -53.7 -44.07 69.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.97 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 24.5 m95 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.804 0.335 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.486 HG22 ' OE2' ' A' ' 91' ' ' GLU . 12.8 m -85.53 151.02 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.146 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -39.38 -55.52 1.73 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -43.54 -68.42 0.2 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.486 ' OE2' HG22 ' A' ' 88' ' ' VAL . 42.4 mt-10 -48.9 -56.89 7.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 41.5 m -43.92 -53.31 6.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.094 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 -62.16 -38.47 89.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.834 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 10.3 p -61.84 -50.46 72.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.835 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 96' ' ' ILE . 18.3 tp -62.03 -64.32 0.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.924 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.415 ' C ' ' O ' ' A' ' 95' ' ' LEU . 71.5 mt -36.57 -59.41 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 59.7 mtp -48.02 -59.09 3.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.885 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -50.44 -44.76 55.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.622 ' NH2' ' CD2' ' A' ' 106' ' ' PHE . 0.0 OUTLIER -59.33 -59.01 6.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 -179.92 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.411 ' O ' ' CB ' ' A' ' 103' ' ' ASP . 77.4 mtp180 -50.82 -53.48 31.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -50.34 -38.09 33.22 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.497 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 60.2 mmm -81.29 -12.26 59.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.811 0.339 . . . . 0.0 110.874 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 106' ' ' PHE . 8.9 t70 -39.53 -58.29 1.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 103' ' ' ASP . . . -36.29 -37.82 0.22 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.471 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.454 ' HB3' HD21 ' A' ' 115' ' ' LEU . 47.0 mt -73.97 -42.07 61.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.896 0.379 . . . . 0.0 110.947 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.622 ' CD2' ' NH2' ' A' ' 99' ' ' ARG . 29.3 m-85 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.808 0.337 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' HIS . . . . . 0.514 ' CE1' ' HG ' ' A' ' 115' ' ' LEU . 24.5 p-80 -55.67 -33.33 64.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.592 HD13 ' CD1' ' A' ' 106' ' ' PHE . 78.4 mt -63.7 -52.53 60.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.937 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 16.2 m95 -55.26 -42.17 73.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -63.28 -34.09 76.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -68.59 -55.71 10.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 49.9 mt -48.44 -45.89 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.126 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 69.8 p -60.94 -59.37 5.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.2 t -46.13 -42.02 13.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.829 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -58.0 -56.3 23.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 81.6 mtp -44.79 -57.92 3.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 10.6 ttt85 -49.78 -39.63 38.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -66.12 -40.84 90.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.25 -24.26 63.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 130.82 0.69 5.19 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.478 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -114.97 105.92 13.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.823 0.344 . . . . 0.0 110.851 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -90.88 105.57 17.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 50.5 mmt-85 -141.91 126.75 18.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.4 p -50.02 155.28 1.63 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.697 0.76 . . . . 0.0 110.87 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -35.4 12.64 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.704 2.269 . . . . 0.0 112.369 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -61.59 -48.08 82.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.094 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 56.1 mmm -51.96 -43.51 63.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 41.6 m -63.63 -38.29 90.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 20.6 m -61.54 -55.27 32.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -64.37 -48.75 74.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.829 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 24.4 tptt -56.08 -39.22 71.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 139' ' ' TRP . . . . . 0.572 ' CE3' ' HG3' ' A' ' 99' ' ' ARG . 66.6 t-105 -60.7 -51.73 68.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -51.54 -44.33 62.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.866 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -58.66 -41.51 86.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.463 HD12 ' HA ' ' A' ' 139' ' ' TRP . 65.4 mt -57.79 -43.3 85.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 20.5 mt -60.94 -41.19 95.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.968 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 2.5 mmmm -57.84 -51.71 68.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 179.96 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 87' ' ' TRP . . . . . 0.521 ' CZ3' HD22 ' A' ' 95' ' ' LEU . 22.7 m95 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.817 0.341 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 22.3 m -89.63 158.51 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.112 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.466 ' HG3' ' N ' ' A' ' 90' ' ' ASP . 21.1 pt20 -45.3 -48.47 13.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.466 ' N ' ' HG3' ' A' ' 89' ' ' GLN . 2.4 m-20 -50.24 -68.0 0.21 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.479 ' HG2' ' CD1' ' A' ' 128' ' ' PHE . 47.4 mt-10 -54.88 -59.59 4.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 99.4 m -40.61 -54.73 2.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.114 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 4.9 tpp180 -53.81 -49.45 68.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.405 ' O ' ' CD2' ' A' ' 98' ' ' PHE . 1.5 m -57.69 -38.02 74.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.521 HD22 ' CZ3' ' A' ' 87' ' ' TRP . 38.8 tp -65.37 -45.64 83.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 77.5 mt -64.5 -44.93 96.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.165 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 7.0 tpt -57.29 -59.11 5.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.405 ' CD2' ' O ' ' A' ' 94' ' ' SER . 28.3 m-85 -49.24 -44.59 43.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.916 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.528 ' NH2' ' CZ2' ' A' ' 139' ' ' TRP . 4.1 mmm180 -60.61 -46.87 88.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 47.7 mtp180 -59.32 -42.66 91.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -70.59 -37.55 68.18 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.471 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 39.2 mtp -83.94 -11.72 56.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.815 0.34 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -39.45 -52.58 2.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -38.66 -53.35 2.39 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.503 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 40.7 mt -61.23 -43.86 98.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.868 0.366 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.521 ' CD1' HD13 ' A' ' 115' ' ' LEU . 36.5 m-85 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 28.8 mmtm . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.826 0.346 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 43.7 p-80 -58.0 -33.81 69.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.877 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.521 HD13 ' CD1' ' A' ' 106' ' ' PHE . 74.2 mt -64.59 -41.16 96.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.533 ' CH2' ' HA ' ' A' ' 136' ' ' THR . 10.8 m95 -61.57 -59.8 4.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 118' ' ' GLN . 12.6 pt-20 -51.74 -40.51 60.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.457 ' N ' ' HG3' ' A' ' 117' ' ' GLU . 25.7 mt-30 -57.17 -57.9 10.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 66.8 mt -47.62 -56.49 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 26.8 t -42.53 -52.79 4.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 12.6 t -55.23 -56.01 24.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.822 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 26.6 mtmt -44.54 -52.17 8.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.953 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 91.6 mtp -50.58 -63.85 0.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.432 ' HG2' ' CG ' ' A' ' 129' ' ' ASP . 1.8 tmm_? -41.85 -52.46 4.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -44.96 -41.79 7.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.93 -55.75 6.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 159.76 35.14 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.464 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.479 ' CD1' ' HG2' ' A' ' 91' ' ' GLU . 25.3 m-85 -139.04 105.17 5.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.868 0.366 . . . . 0.0 110.842 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.432 ' CG ' ' HG2' ' A' ' 124' ' ' ARG . 0.9 OUTLIER -91.45 89.88 7.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 11.6 mmt180 -127.51 133.66 49.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.8 m -55.5 159.51 4.67 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.658 0.742 . . . . 0.0 110.843 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -49.58 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.668 2.245 . . . . 0.0 112.352 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -53.29 -39.19 63.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.124 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 66.5 mmm -54.61 -50.09 68.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.854 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 43.1 m -58.13 -41.85 84.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' THR . . . . . 0.533 ' HA ' ' CH2' ' A' ' 116' ' ' TRP . 30.8 m -56.19 -64.39 0.88 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -57.76 -49.62 75.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.832 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' LYS . . . . . 0.516 ' HZ2' HD23 ' A' ' 95' ' ' LEU . 0.4 OUTLIER -49.39 -60.76 2.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 139' ' ' TRP . . . . . 0.683 ' NE1' HD11 ' A' ' 143' ' ' LEU . 72.3 t-105 -43.38 -54.37 4.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -46.32 -43.55 15.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 28.1 t30 -60.39 -50.59 72.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.496 HD11 ' HZ3' ' A' ' 138' ' ' LYS . 35.5 mt -52.56 -46.98 67.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.683 HD11 ' NE1' ' A' ' 139' ' ' TRP . 46.6 mt -55.34 -45.16 76.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 43.9 tttt -53.9 -45.87 71.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.904 179.955 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 23.7 m95 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.866 0.365 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.498 HG23 ' H ' ' A' ' 91' ' ' GLU . 33.5 m -111.12 158.25 11.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.142 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -56.98 -55.65 31.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.493 ' N ' ' OD1' ' A' ' 90' ' ' ASP . 2.4 p-10 -46.04 -69.97 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.558 ' HA ' ' CE2' ' A' ' 128' ' ' PHE . 8.5 pt-20 -52.58 -42.37 64.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.41 ' N ' ' CG ' ' A' ' 91' ' ' GLU . 4.5 m -54.35 -35.15 62.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.145 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 2.1 ttm105 -74.28 -39.3 63.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.451 ' O ' ' CD2' ' A' ' 98' ' ' PHE . 1.4 t -58.44 -42.33 87.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 14.9 tp -68.47 -63.33 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 68.1 mt -38.48 -56.64 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 6.8 ttp -54.52 -52.11 63.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.55 ' CE1' ' HD3' ' A' ' 122' ' ' LYS . 4.7 m-85 -47.52 -50.14 24.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.903 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.479 ' HD3' ' CZ3' ' A' ' 116' ' ' TRP . 3.8 mmm180 -56.57 -53.01 62.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.809 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -54.95 -46.45 75.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -64.2 -24.76 69.15 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.463 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 76.2 mtp -98.57 -6.67 29.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.757 0.313 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.475 ' OD1' ' N ' ' A' ' 104' ' ' GLY . 0.4 OUTLIER -45.42 -46.37 13.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.871 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.475 ' N ' ' OD1' ' A' ' 103' ' ' ASP . . . -45.01 -55.26 6.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.493 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 73.7 mt -49.46 -53.88 20.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.843 0.354 . . . . 0.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.647 ' CD1' HD13 ' A' ' 115' ' ' LEU . 73.2 m-85 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.83 0.347 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 114' ' ' HIS . . . . . 0.567 ' CE1' ' HG ' ' A' ' 115' ' ' LEU . 24.0 p-80 -63.69 -36.37 83.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.837 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.647 HD13 ' CD1' ' A' ' 106' ' ' PHE . 84.5 mt -67.16 -43.77 81.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.948 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.479 ' CZ3' ' HD3' ' A' ' 99' ' ' ARG . 8.5 m95 -58.92 -52.0 67.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.951 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -61.98 -30.06 70.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.12 -46.13 75.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 36.0 mt -61.19 -45.31 98.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 60.2 p -56.51 -47.18 79.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.807 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 23.4 t -59.01 -38.92 80.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.848 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.55 ' HD3' ' CE1' ' A' ' 98' ' ' PHE . 56.4 mttt -62.08 -58.42 7.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.897 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 54.1 mmm -44.32 -50.71 8.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 31.8 ttt180 -56.43 -48.52 76.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -61.82 -38.66 89.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -66.46 -45.52 79.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.937 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 158.33 -17.78 0.3 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.502 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.558 ' CE2' ' HA ' ' A' ' 91' ' ' GLU . 59.3 m-85 -101.58 108.61 20.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.855 0.359 . . . . 0.0 110.877 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -93.1 100.73 13.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -140.23 126.78 20.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.72 161.31 0.9 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.663 0.744 . . . . 0.0 110.879 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -26.63 27.61 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.689 2.259 . . . . 0.0 112.391 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -64.23 -45.05 89.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 2.7 mmt -59.73 -47.97 83.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 47.9 m -64.96 -32.38 74.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.825 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 52.4 m -65.71 -55.56 16.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -65.56 -51.17 61.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 24.3 tptt -50.2 -48.85 54.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 139' ' ' TRP . . . . . 0.579 ' CE2' HD21 ' A' ' 143' ' ' LEU . 75.0 t-105 -54.45 -58.05 8.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -41.0 -50.05 3.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -57.16 -49.07 77.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 61.5 mt -51.97 -32.08 31.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.579 HD21 ' CE2' ' A' ' 139' ' ' TRP . 38.6 mt -72.07 -41.33 67.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.986 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -65.49 -32.91 74.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 145' ' ' GLU . . . . . 0.496 ' C ' ' CD ' ' A' ' 145' ' ' GLU . 1.8 pp20? . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.815 0.34 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.3 ptpp? -126.97 153.48 45.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.3 mtt85 -158.34 107.51 2.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -109.18 -12.67 14.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.091 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 48.26 41.61 16.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.474 HG22 ' CD1' ' A' ' 87' ' ' TRP . 56.2 m -118.42 -54.9 2.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.18 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.474 ' CD1' HG22 ' A' ' 86' ' ' THR . 29.8 m95 -109.33 142.39 40.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.928 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.5 HG23 ' H ' ' A' ' 91' ' ' GLU . 5.5 m -98.59 162.08 2.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.12 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -52.09 -43.32 63.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -55.03 -61.37 2.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.844 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.5 ' H ' HG23 ' A' ' 88' ' ' VAL . 49.6 mt-10 -56.98 -54.38 47.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.509 HG22 ' CD1' ' A' ' 96' ' ' ILE . 25.5 m -48.44 -57.31 6.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.8 ttt180 -51.85 -49.56 62.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.8 t -55.98 -50.13 71.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.1 tp -59.11 -60.47 3.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.961 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.509 ' CD1' HG22 ' A' ' 92' ' ' THR . 64.1 mt -42.58 -57.51 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.115 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 48.5 ttm -48.65 -61.08 2.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -49.27 -38.61 27.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.523 ' HG2' ' CD2' ' A' ' 139' ' ' TRP . 10.0 tpt180 -74.89 -28.06 60.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.843 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 84.8 mtt180 -72.25 -41.31 66.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.829 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -76.59 -39.66 29.28 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.454 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.407 ' O ' ' C ' ' A' ' 103' ' ' ASP . 74.0 mtp -78.38 -17.65 56.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.727 0.299 . . . . 0.0 110.89 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 102' ' ' MET . 7.5 t70 -37.72 -50.81 1.23 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.845 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -46.27 -48.95 15.37 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.501 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.561 ' HB3' HD21 ' A' ' 115' ' ' LEU . 52.5 mt -51.08 -33.4 25.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.868 0.366 . . . . 0.0 110.925 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.71 ' CD1' HD13 ' A' ' 115' ' ' LEU . 52.7 m-85 -72.81 -32.64 65.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -77.58 -46.12 23.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.467 HG23 ' N ' ' A' ' 109' ' ' SER . 9.2 t -73.18 -43.49 61.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.148 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.467 ' N ' HG23 ' A' ' 108' ' ' THR . 1.3 t -98.84 125.99 44.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.821 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.32 -58.84 6.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.922 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 57.7 p -60.64 142.86 55.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' ' 115' ' ' LEU . 1.9 p30 -123.52 -28.43 3.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 26.1 mtmt -40.5 -48.18 2.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.516 ' CE1' ' HG ' ' A' ' 115' ' ' LEU . 29.2 p-80 -63.83 -34.23 77.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.884 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.71 HD13 ' CD1' ' A' ' 106' ' ' PHE . 87.0 mt -69.34 -40.01 77.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.961 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.567 ' CH2' ' HA ' ' A' ' 136' ' ' THR . 29.3 m95 -60.72 -51.01 71.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 118' ' ' GLN . 10.4 pt-20 -57.43 -43.23 83.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.438 ' N ' ' HG3' ' A' ' 117' ' ' GLU . 56.4 mt-30 -56.95 -52.9 63.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 96.5 mt -50.9 -51.4 20.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.125 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.412 ' OG ' ' N ' ' A' ' 121' ' ' SER . 51.7 p -51.5 -63.8 1.02 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.412 ' N ' ' OG ' ' A' ' 120' ' ' SER . 2.6 m -41.05 -50.53 3.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.881 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 21.4 mttm -56.14 -47.98 77.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 44.0 mmm -54.47 -54.82 35.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.832 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 47.0 mtm180 -48.99 -43.15 39.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -58.3 -38.9 77.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.19 -32.08 73.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 131.32 2.54 4.53 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.484 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -104.49 111.66 24.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.877 0.37 . . . . 0.0 110.842 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -86.17 96.59 9.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.823 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.473 ' HG3' ' CH2' ' A' ' 87' ' ' TRP . 22.5 mmt180 -138.38 132.48 31.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.8 m -64.63 161.12 47.18 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.661 0.743 . . . . 0.0 110.868 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -38.27 8.02 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.68 2.253 . . . . 0.0 112.341 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -66.14 -35.32 80.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.175 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 32.4 mmm -62.43 -48.23 80.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 88.3 m -61.52 -40.09 93.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.567 ' HA ' ' CH2' ' A' ' 116' ' ' TRP . 23.7 m -58.4 -58.09 10.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.139 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -60.54 -45.27 94.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 43.1 tptt -55.85 -41.24 74.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.789 ' CZ2' HD21 ' A' ' 143' ' ' LEU . 60.7 t-105 -60.29 -61.81 2.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -41.16 -43.71 2.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.83 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -63.96 -42.0 97.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.552 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 32.6 mt -59.32 -31.11 68.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.941 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.789 HD21 ' CZ2' ' A' ' 139' ' ' TRP . 20.3 mt -72.1 -45.36 60.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 8.5 tmtt? -61.59 -39.92 92.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -76.38 -39.7 53.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.552 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 2.7 m-85 -58.31 -41.86 85.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 39.8 mttp -67.94 -57.23 6.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.88 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 12.5 tmtt? -52.69 -41.25 63.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.929 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -49.45 152.31 1.35 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 11.9 ttmt -39.51 160.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' HIS . . . . . 0.415 ' O ' ' C ' ' A' ' 152' ' ' HIS . 2.6 p-80 -145.04 147.22 32.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.81 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 152' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' A' ' 153' ' ' ASP . 35.7 t-80 -35.49 -69.74 0.1 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 152' ' ' HIS . 34.1 t70 -35.39 139.3 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -77.23 154.31 33.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 127.41 68.1 0.15 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.505 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -79.91 -40.63 27.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.847 0.356 . . . . 0.0 110.899 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 84.97 -172.55 47.94 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.491 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 29.2 p -100.65 95.12 6.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.852 0.358 . . . . 0.0 110.867 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -62.01 -60.31 3.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.108 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 32.4 mtpt -53.91 161.16 1.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 161' ' ' MET . . . . . 0.409 ' HG3' ' N ' ' A' ' 162' ' ' SER . 15.8 tpt -113.46 160.43 18.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 162' ' ' SER . . . . . 0.409 ' N ' ' HG3' ' A' ' 161' ' ' MET . 4.1 m -79.91 129.54 34.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.887 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -79.4 121.0 24.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -57.59 119.68 6.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.931 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.99 42.66 7.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.898 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.984 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 47.6 mmtt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.856 0.36 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 26.6 tttm -131.15 111.52 12.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 59.2 ttm-85 -107.79 -11.14 15.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.818 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -172.0 137.85 0.98 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.11 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -84.78 49.36 1.7 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 40.0 p -127.81 -47.4 1.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.154 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 11.2 m95 -118.9 155.36 31.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.708 HG23 ' H ' ' A' ' 91' ' ' GLU . 5.9 m -91.76 143.25 11.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -46.13 -26.49 0.77 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -71.7 -65.06 0.81 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.708 ' H ' HG23 ' A' ' 88' ' ' VAL . 25.6 mt-10 -56.76 -49.91 73.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.878 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 27.4 m -49.8 -54.75 17.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 50.9 ttt180 -55.85 -52.38 64.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.3 t -52.98 -50.96 63.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 21.5 tp -54.57 -62.1 1.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.924 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 70.1 mt -39.13 -59.59 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.12 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.47 -57.22 12.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -46.42 -43.79 16.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.508 ' HG2' ' CD2' ' A' ' 139' ' ' TRP . 43.9 tpt85 -68.8 -42.24 77.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 -58.94 -57.82 11.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -55.54 -39.06 73.18 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.51 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.436 ' O ' ' C ' ' A' ' 103' ' ' ASP . 65.0 mtp -76.93 -18.39 58.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.819 0.342 . . . . 0.0 110.893 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 102' ' ' MET . 7.3 t70 -35.61 -52.7 0.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 103' ' ' ASP . . . -37.03 -54.99 1.48 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.537 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 39.0 mt -54.7 -50.93 67.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.844 0.354 . . . . 0.0 110.93 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.634 ' CD1' HD13 ' A' ' 115' ' ' LEU . 62.7 m-85 -47.61 -54.38 12.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -53.16 -49.0 67.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 15.0 t -84.62 35.11 0.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.149 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.3 m -169.46 114.23 0.54 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.838 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.409 ' HD2' ' C ' ' A' ' 110' ' ' LYS . 0.2 OUTLIER -58.45 -55.93 28.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.875 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 11.1 t -83.07 123.01 29.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -105.14 33.08 3.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 6.5 mptt -71.15 -51.59 24.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.933 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 52.7 p-80 -64.71 -34.02 77.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.634 HD13 ' CD1' ' A' ' 106' ' ' PHE . 83.9 mt -65.27 -49.56 69.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 11.4 m95 -54.82 -59.13 5.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 118' ' ' GLN . 10.6 pt-20 -52.29 -35.91 51.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.906 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.404 ' N ' ' HG3' ' A' ' 117' ' ' GLU . 26.7 mt-30 -61.7 -48.32 81.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 23.7 mt -58.05 -44.33 86.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 28.7 p -60.12 -48.33 82.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.2 m -62.4 -42.87 99.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.849 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 41.1 mttt -61.35 -54.1 48.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 33.3 mmm -48.9 -54.96 13.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 26.4 ttm-85 -48.09 -47.58 34.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -60.36 -42.76 96.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 9.5 mmpt? -63.39 -47.14 83.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 146.73 34.54 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.481 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.568 ' CD1' ' HG2' ' A' ' 91' ' ' GLU . 25.4 m-85 -139.28 106.4 5.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.352 . . . . 0.0 110.908 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -86.47 94.15 9.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -141.05 139.85 34.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 21.2 m -66.1 156.3 84.85 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.634 0.731 . . . . 0.0 110.857 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -45.32 1.65 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.67 2.246 . . . . 0.0 112.391 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 1.2 p -58.37 -29.76 66.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 41.9 mmm -65.18 -40.11 93.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 83.3 m -70.53 -35.35 73.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 98.1 m -62.31 -48.97 77.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.153 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -68.48 -49.99 55.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.44 ' NZ ' HD11 ' A' ' 142' ' ' LEU . 26.0 tptp -53.05 -50.76 63.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.508 ' CD2' ' HG2' ' A' ' 99' ' ' ARG . 74.7 t-105 -53.66 -51.69 62.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 31.1 mtt180 -46.91 -44.92 20.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -63.83 -38.41 91.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.527 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 72.6 mt -60.92 -32.91 72.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.429 HD21 ' CE2' ' A' ' 139' ' ' TRP . 26.7 mt -70.81 -48.45 54.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -58.42 -42.52 87.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' GLU . . . . . 0.509 ' O ' ' HB2' ' A' ' 149' ' ' ALA . 11.7 pt-20 -73.6 -42.44 61.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.527 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 2.7 m-85 -56.83 -42.35 79.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.859 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.4 ' C ' ' HD3' ' A' ' 147' ' ' LYS . 0.1 OUTLIER -75.02 -47.4 29.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 21.3 mmtp -88.47 27.78 1.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' ALA . . . . . 0.509 ' HB2' ' O ' ' A' ' 145' ' ' GLU . . . -82.8 37.91 0.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.13 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 35.4 tttt -40.19 161.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' HIS . . . . . 0.542 ' O ' ' CG ' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -131.11 78.0 1.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.898 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -162.22 167.31 24.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -65.85 -56.41 11.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -139.53 135.54 33.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -71.5 -140.71 0.26 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.509 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -86.42 -39.52 16.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.9 0.381 . . . . 0.0 110.916 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 117.99 -131.13 9.11 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.456 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 29.7 m -154.25 176.05 12.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.839 0.352 . . . . 0.0 110.88 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -93.26 -50.49 5.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.091 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 9.2 ptmm? 39.62 39.19 0.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 43.8 mmm -130.12 156.29 44.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.841 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 27.2 t -114.88 -61.63 1.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -165.68 160.01 16.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 164' ' ' TYR . . . . . 0.506 ' CD2' ' HG2' ' A' ' 165' ' ' LYS . 8.0 t80 -96.88 163.16 13.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.892 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 165' ' ' LYS . . . . . 0.506 ' HG2' ' CD2' ' A' ' 164' ' ' TYR . 0.2 OUTLIER -49.68 145.61 5.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.864 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.98 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.845 0.355 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.03 103.78 15.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.45 ' N ' ' HD3' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -134.52 41.22 2.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -149.17 136.54 20.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.089 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -79.68 102.62 9.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.839 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.8 m -153.91 149.4 27.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.124 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 23.1 m95 -66.58 140.43 57.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.483 HG22 ' OE2' ' A' ' 91' ' ' GLU . 29.9 m -97.6 168.18 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.148 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.462 ' HG2' ' N ' ' A' ' 90' ' ' ASP . 5.4 pm0 -56.4 -32.44 64.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.462 ' N ' ' HG2' ' A' ' 89' ' ' GLN . 78.1 m-20 -67.76 -63.11 1.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.562 ' HG3' ' CD1' ' A' ' 128' ' ' PHE . 0.9 OUTLIER -56.03 -57.82 10.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.893 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 91.2 m -42.4 -51.95 4.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -61.33 -52.62 63.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.6 t -44.71 -44.79 9.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.854 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 24.9 tp -66.89 -60.28 2.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 68.3 mt -38.63 -52.53 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 91.7 mtp -55.33 -60.88 2.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.82 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.568 ' CD1' ' HE2' ' A' ' 122' ' ' LYS . 20.1 m-85 -47.69 -43.76 26.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.854 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.554 ' NH1' ' CD2' ' A' ' 106' ' ' PHE . 49.1 tpt85 -65.74 -40.42 92.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 45.5 mtt180 -65.86 -45.64 81.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -67.8 -36.17 86.56 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.475 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.429 ' O ' ' C ' ' A' ' 103' ' ' ASP . 44.7 mtp -82.96 -21.38 34.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.819 0.343 . . . . 0.0 110.91 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 102' ' ' MET . 25.0 t0 -36.27 -49.29 0.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.857 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.435 ' O ' HG22 ' A' ' 108' ' ' THR . . . -38.96 -51.06 2.65 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.514 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.407 ' HA ' HG22 ' A' ' 108' ' ' THR . 21.9 mt -58.2 -59.84 4.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.875 0.369 . . . . 0.0 110.922 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.554 ' CD2' ' NH1' ' A' ' 99' ' ' ARG . 64.2 m-85 -38.96 -40.52 0.66 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -74.83 -51.6 13.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.435 HG22 ' O ' ' A' ' 104' ' ' GLY . 14.1 t -86.21 33.03 0.61 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 28.0 t -164.34 117.19 1.35 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.86 -35.27 77.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.915 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 16.4 m -78.41 136.93 37.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.5 ' HA ' HD12 ' A' ' 115' ' ' LEU . 11.7 p-10 -125.96 -36.93 2.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -39.35 -56.18 1.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.561 ' CE1' ' HG ' ' A' ' 115' ' ' LEU . 35.5 p-80 -59.33 -45.41 91.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.836 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.561 ' HG ' ' CE1' ' A' ' 114' ' ' HIS . 81.4 mt -52.21 -48.8 64.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 36.9 m95 -56.61 -46.51 80.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -51.08 -42.34 60.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -61.36 -50.81 71.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 80.8 mt -51.4 -60.88 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 76.8 p -50.24 -53.39 28.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 47.1 t -49.61 -45.49 48.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.823 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.568 ' HE2' ' CD1' ' A' ' 98' ' ' PHE . 21.7 mtpt -58.53 -44.43 89.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 69.0 mmm -51.87 -59.83 3.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.86 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.466 ' CD ' ' HA ' ' A' ' 129' ' ' ASP . 4.2 mmm180 -48.4 -42.89 33.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.919 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -62.93 -45.89 90.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 7.4 mmpt? -63.22 -44.85 94.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 145.09 33.17 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.515 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.562 ' CD1' ' HG3' ' A' ' 91' ' ' GLU . 24.6 m-85 -138.27 107.32 6.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.855 0.359 . . . . 0.0 110.829 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.466 ' HA ' ' CD ' ' A' ' 124' ' ' ARG . 11.9 p-10 -86.57 95.58 9.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -139.26 142.8 37.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.823 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.8 m -67.29 161.15 66.8 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.626 0.727 . . . . 0.0 110.869 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -45.83 1.45 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.687 2.258 . . . . 0.0 112.349 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 10.2 p -58.51 -44.11 89.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 76.1 mmm -48.55 -44.04 36.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.857 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 72.3 m -67.59 -40.75 84.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.855 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 91.2 m -56.68 -55.02 39.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -63.0 -53.56 52.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -48.65 -54.15 15.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.646 ' CZ2' HD21 ' A' ' 143' ' ' LEU . 70.1 t-105 -48.99 -52.26 25.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 11.0 mtp180 -48.78 -40.41 28.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.934 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -63.44 -46.23 87.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 51.5 mt -56.1 -44.55 79.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.646 HD21 ' CZ2' ' A' ' 139' ' ' TRP . 55.8 mt -56.6 -49.88 73.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 2.7 mmtp -50.74 -47.01 59.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -68.88 -44.76 72.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -50.29 -42.19 52.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -59.74 -45.47 92.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 38.5 tptt -69.36 -56.77 6.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -48.65 168.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' LYS . . . . . 0.473 ' HD2' ' N ' ' A' ' 151' ' ' HIS . 10.2 tptt -93.25 134.36 35.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.861 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 151' ' ' HIS . . . . . 0.473 ' N ' ' HD2' ' A' ' 150' ' ' LYS . 6.0 p-80 -128.87 -55.3 1.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 152' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 153' ' ' ASP . 13.3 t-80 -136.81 177.13 8.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 152' ' ' HIS . 94.3 m-20 -35.91 -47.8 0.54 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 39.6 mmt-85 -67.7 119.1 11.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 144.51 173.36 15.8 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.458 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -105.97 -40.06 5.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.877 0.37 . . . . 0.0 110.875 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 68.23 91.64 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 26.8 t -82.54 47.36 1.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.861 0.362 . . . . 0.0 110.875 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -51.81 -50.78 60.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.094 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.437 ' N ' ' HE2' ' A' ' 160' ' ' LYS . 0.2 OUTLIER -44.39 132.14 6.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.99 165.63 11.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.921 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 52.5 p -70.78 166.9 19.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.846 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -139.28 170.07 16.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.936 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 164' ' ' TYR . . . . . 0.451 ' CG ' ' N ' ' A' ' 165' ' ' LYS . 57.2 t80 -142.59 161.76 37.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.947 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 165' ' ' LYS . . . . . 0.451 ' N ' ' CG ' ' A' ' 164' ' ' TYR . 1.3 mppt? -50.17 172.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.858 179.984 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 89.0 mttt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.843 0.354 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -149.25 111.18 4.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.57 143.9 5.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.47 174.5 4.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.043 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -87.55 -33.44 18.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 18.6 m -40.72 -44.97 2.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.176 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 8.2 m95 -112.92 153.17 28.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.578 HG23 ' H ' ' A' ' 91' ' ' GLU . 23.0 m -96.95 138.37 22.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.123 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 88' ' ' VAL . 29.1 pt20 -35.79 -45.16 0.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.926 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.411 ' N ' ' HG3' ' A' ' 89' ' ' GLN . 19.6 m-20 -51.6 -64.8 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.578 ' H ' HG23 ' A' ' 88' ' ' VAL . 62.1 mt-10 -57.27 -60.04 4.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 61.1 m -41.97 -57.08 2.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 7.1 ttm180 -56.76 -45.2 82.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.5 t -56.76 -52.23 65.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 96' ' ' ILE . 22.4 tp -56.19 -62.54 1.64 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.915 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.426 ' C ' ' O ' ' A' ' 95' ' ' LEU . 65.5 mt -36.03 -55.0 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.106 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 10.6 mtp -56.51 -52.1 66.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -52.58 -36.68 56.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.59 ' NH2' ' CZ2' ' A' ' 139' ' ' TRP . 3.6 mmm180 -70.66 -56.9 5.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.86 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -46.65 -47.84 20.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -63.78 -40.1 98.11 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.495 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 40.0 mmm -76.16 -21.02 57.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.772 0.32 . . . . 0.0 110.873 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 104' ' ' GLY . 22.5 t70 -38.03 -53.98 1.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 103' ' ' ASP . . . -35.89 -47.52 0.98 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.513 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 19.4 mt -64.09 -48.97 74.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.835 0.35 . . . . 0.0 110.949 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.613 ' CD1' HD13 ' A' ' 115' ' ' LEU . 75.2 m-85 -53.85 -42.06 68.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -55.4 -50.05 70.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.686 HG23 ' O ' ' A' ' 108' ' ' THR . 9.9 t -112.66 84.94 2.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.3 t -174.95 140.33 0.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 20.1 ttpp -73.53 -52.1 14.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 45.4 t -101.34 157.17 16.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.477 ' O ' ' N ' ' A' ' 115' ' ' LEU . 5.4 p30 -127.79 -31.34 2.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.846 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 112' ' ' ASN . 25.2 mmtp -36.91 -44.55 0.51 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.941 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.465 ' CE1' ' HG ' ' A' ' 115' ' ' LEU . 20.7 p-80 -63.78 -42.42 97.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.807 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.613 HD13 ' CD1' ' A' ' 106' ' ' PHE . 72.0 mt -56.34 -44.08 79.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.477 ' CZ3' ' HD3' ' A' ' 99' ' ' ARG . 58.5 m95 -60.77 -48.33 82.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -54.41 -41.61 69.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.939 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -57.63 -55.99 27.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 51.1 mt -51.84 -53.39 17.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.118 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.9 t -49.14 -64.83 0.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 22.8 t -47.07 -41.99 17.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.862 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 123' ' ' MET . 33.1 mtpt -58.72 -66.06 0.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' MET . . . . . 0.407 ' C ' ' O ' ' A' ' 122' ' ' LYS . 35.0 mmm -36.45 -58.02 0.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.411 ' HG3' ' CG ' ' A' ' 129' ' ' ASP . 32.0 ttp180 -47.22 -57.14 5.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -54.8 -42.98 72.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 20.6 mmtt -59.37 -41.63 89.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 155.3 -23.84 0.58 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.471 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.5 ' CD1' ' HG2' ' A' ' 91' ' ' GLU . 49.8 m-85 -98.97 103.58 15.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.855 0.36 . . . . 0.0 110.895 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.411 ' CG ' ' HG3' ' A' ' 124' ' ' ARG . 21.9 t0 -84.07 109.26 17.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -139.52 158.75 43.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.8 m -80.3 160.83 66.98 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.667 0.746 . . . . 0.0 110.868 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -36.09 11.38 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.638 2.225 . . . . 0.0 112.378 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 9.3 p -70.73 -43.39 68.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.134 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 97.7 mmm -51.52 -42.79 61.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 73.2 m -70.2 -42.37 72.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 89.2 m -58.09 -49.34 77.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -67.47 -51.39 51.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 25.8 tptt -51.82 -51.19 58.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.59 ' CZ2' ' NH2' ' A' ' 99' ' ' ARG . 72.6 t-105 -52.67 -55.26 23.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 67.5 mtt-85 -44.66 -46.14 10.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 -59.0 -40.96 86.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.454 HD12 ' HA ' ' A' ' 139' ' ' TRP . 74.2 mt -60.3 -43.77 96.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.587 HD21 ' CE2' ' A' ' 139' ' ' TRP . 36.8 mt -60.42 -37.82 82.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.96 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.24 -46.68 85.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -71.37 -29.27 64.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -72.67 -45.94 56.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -55.38 -53.82 51.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.937 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -93.09 27.88 2.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -66.97 110.7 3.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 44.0 pttt -105.79 178.46 4.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 12.8 m80 -81.37 84.81 6.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -135.99 141.14 44.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -140.68 150.86 44.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 58.1 mtm180 -151.02 135.11 16.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -115.24 102.74 1.15 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -88.56 -41.71 12.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.802 0.334 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 123.26 176.23 14.76 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.504 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 25.9 t -123.21 85.43 2.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.922 0.391 . . . . 0.0 110.894 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -62.8 -52.52 62.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.101 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -60.99 136.18 58.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 56.5 ttp -131.84 142.71 49.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 2.5 t -73.91 -49.71 23.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.83 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -40.89 131.33 2.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.934 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 164' ' ' TYR . . . . . 0.476 ' CG ' ' N ' ' A' ' 165' ' ' LYS . 26.3 t80 -140.11 159.5 42.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.933 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 165' ' ' LYS . . . . . 0.476 ' N ' ' CG ' ' A' ' 164' ' ' TYR . 56.8 mttt -35.91 120.8 0.63 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.903 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.879 179.947 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.4 mptt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.864 0.364 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 17.4 mttm -111.01 127.16 55.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -90.59 87.27 6.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -107.97 87.39 2.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.073 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 38.73 44.34 0.8 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 88.4 m -98.1 146.27 25.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.425 ' HH2' ' HG ' ' A' ' 135' ' ' CYS . 30.9 m95 -66.75 155.88 36.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.416 ' O ' ' C ' ' A' ' 89' ' ' GLN . 12.0 m -115.1 143.05 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.15 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 88' ' ' VAL . 11.8 tt0 -37.0 -42.74 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.941 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -52.35 -68.1 0.2 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.871 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.545 ' HG2' ' CD1' ' A' ' 128' ' ' PHE . 48.6 mt-10 -54.75 -59.48 4.66 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.7 m -40.0 -51.42 2.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.141 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 3.8 tmm_? -57.19 -56.78 17.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.4 t -50.45 -49.25 55.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 96' ' ' ILE . 20.7 tp -56.57 -67.37 0.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.432 ' C ' ' O ' ' A' ' 95' ' ' LEU . 85.8 mt -35.61 -53.49 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.149 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 24.6 ttm -59.51 -45.91 90.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 3.0 m-30 -55.25 -47.43 75.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.867 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.523 ' HG2' ' CE2' ' A' ' 139' ' ' TRP . 37.5 tpt85 -65.5 -40.82 93.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -62.1 -45.07 95.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -65.03 -44.25 94.63 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.494 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 64.9 mtp -81.07 -11.02 59.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.725 0.297 . . . . 0.0 110.838 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -39.63 -43.87 1.41 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.927 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -47.16 -45.71 20.78 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.46 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.408 ' HB3' HD21 ' A' ' 115' ' ' LEU . 39.5 mt -63.17 -47.08 84.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.85 0.357 . . . . 0.0 110.905 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.547 ' CE2' ' HB2' ' A' ' 112' ' ' ASN . 49.4 m-85 -47.41 -32.55 5.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -70.19 -53.11 18.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.417 HG23 ' O ' ' A' ' 108' ' ' THR . 9.6 t -83.08 49.95 1.64 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 8.3 t -170.72 109.56 0.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.853 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.75 -21.04 25.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.2 t -134.48 114.69 13.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.822 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.547 ' HB2' ' CE2' ' A' ' 106' ' ' PHE . 1.8 p30 -88.37 30.1 0.91 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.913 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 52.6 mmtt -61.87 -63.52 1.23 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 49.3 p-80 -54.56 -32.14 57.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.474 HD13 ' CD1' ' A' ' 106' ' ' PHE . 96.1 mt -64.85 -44.88 88.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 12.6 m95 -59.1 -51.46 69.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.47 -34.73 74.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -68.97 -45.64 70.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.922 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 69.6 mt -59.25 -42.88 88.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 63.6 p -59.27 -61.13 2.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 58.8 p -47.69 -49.26 28.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 28.9 mttm -50.67 -42.21 56.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 91.1 mtp -62.48 -41.15 98.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.864 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 17.0 mtm180 -57.21 -47.21 81.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -56.57 -32.54 65.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.476 ' HE2' ' N ' ' A' ' 126' ' ' LYS . 0.4 OUTLIER -77.73 -27.35 50.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.937 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 131.4 -11.34 5.52 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.488 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.545 ' CD1' ' HG2' ' A' ' 91' ' ' GLU . 24.0 m-85 -91.49 107.81 19.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.887 0.375 . . . . 0.0 110.889 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 5.9 p30 -96.53 92.97 6.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -133.51 133.38 42.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.9 m -53.7 161.23 1.69 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.684 0.754 . . . . 0.0 110.828 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -50.77 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.647 2.231 . . . . 0.0 112.33 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -56.46 -37.77 70.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 86.5 mmm -48.7 -58.4 4.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' CYS . . . . . 0.425 ' HG ' ' HH2' ' A' ' 87' ' ' TRP . 73.1 m -61.43 -33.47 73.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.896 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 40.0 m -61.38 -52.49 64.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.162 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -70.38 -46.71 63.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 39.8 tptt -59.89 -40.06 87.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.782 ' CZ2' HD21 ' A' ' 143' ' ' LEU . 49.5 t-105 -60.19 -55.0 39.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.942 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 17.0 mtp180 -48.32 -45.5 35.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.896 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 17.2 t30 -61.26 -42.4 98.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.466 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 27.8 mt -55.77 -36.36 67.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.782 HD21 ' CZ2' ' A' ' 139' ' ' TRP . 17.9 mt -69.59 -42.07 74.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.938 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.06 -41.69 99.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 145' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' A' ' 146' ' ' PHE . 9.0 pt-20 -74.95 -39.46 61.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.882 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.466 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 3.4 m-85 -59.11 -44.26 91.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -48.37 -42.19 30.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -90.78 28.5 1.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -44.11 154.27 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.79 161.09 23.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 151' ' ' HIS . . . . . 0.402 ' O ' ' C ' ' A' ' 152' ' ' HIS . 3.3 p-80 -175.0 168.13 3.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 152' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 151' ' ' HIS . 30.9 m80 -37.97 108.99 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.97 -44.7 95.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.854 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 52.67 41.61 31.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -163.52 -117.22 0.4 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.506 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 33.0 t-20 -89.43 -41.66 11.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.832 0.349 . . . . 0.0 110.901 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 52.61 -168.83 0.77 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.481 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 86.3 p -119.54 97.35 5.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.881 0.372 . . . . 0.0 110.816 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.423 ' O ' ' C ' ' A' ' 160' ' ' LYS . . . -98.76 -52.58 3.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.181 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 159' ' ' ALA . 26.5 mtmt -36.53 101.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.933 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 3.7 ttm -174.67 121.49 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 68.4 p -169.49 117.44 0.62 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.833 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -65.69 168.77 7.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 164' ' ' TYR . . . . . 0.424 ' CZ ' ' O ' ' A' ' 165' ' ' LYS . 17.8 t80 -117.52 150.24 39.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.97 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 165' ' ' LYS . . . . . 0.424 ' O ' ' CZ ' ' A' ' 164' ' ' TYR . 0.0 OUTLIER -107.98 154.27 21.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.884 179.961 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.3 ptmm? . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.852 0.358 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.4 ptmm? -73.59 103.27 4.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -92.9 35.38 1.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.821 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -78.46 -13.32 59.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.093 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -131.64 -33.34 1.43 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 87.6 m -56.25 139.88 46.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.591 ' CD2' ' NH1' ' A' ' 130' ' ' ARG . 15.6 m95 -98.3 153.72 18.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.446 HG23 ' H ' ' A' ' 91' ' ' GLU . 34.9 m -108.03 149.53 11.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 88' ' ' VAL . 13.2 tt0 -36.07 -55.25 0.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.97 -64.21 0.8 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.454 ' N ' ' OE1' ' A' ' 91' ' ' GLU . 1.4 mp0 -54.33 -61.64 2.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.931 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.615 HG22 ' CD1' ' A' ' 96' ' ' ILE . 89.6 m -39.81 -56.46 1.76 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.142 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -52.56 -44.58 65.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.436 ' O ' ' CD2' ' A' ' 98' ' ' PHE . 2.2 t -61.18 -52.6 64.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.865 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 12.9 tp -58.09 -46.58 85.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.615 ' CD1' HG22 ' A' ' 92' ' ' THR . 64.2 mt -56.63 -73.13 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.174 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 11.7 tpp -41.29 -49.98 3.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.436 ' CD2' ' O ' ' A' ' 94' ' ' SER . 3.4 m-85 -48.33 -52.99 19.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.864 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.443 ' NH1' ' OD1' ' A' ' 103' ' ' ASP . 0.1 OUTLIER -55.29 -58.04 9.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.87 -179.907 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.448 ' O ' ' CB ' ' A' ' 103' ' ' ASP . 13.7 mtm180 -44.84 -58.91 2.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.823 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -47.28 -43.38 19.13 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.529 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 77.9 mtp -79.87 -14.03 58.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.84 0.352 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.448 ' CB ' ' O ' ' A' ' 100' ' ' ARG . 22.3 t0 -41.07 -27.48 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -59.46 -43.92 97.1 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.475 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 18.0 mt -68.1 -42.68 79.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.854 0.359 . . . . 0.0 110.928 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.737 ' CD1' HD13 ' A' ' 115' ' ' LEU . 56.8 m-85 -58.46 -37.31 75.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -60.03 -51.3 70.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -113.68 81.11 1.46 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.134 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 43.1 t -157.99 157.98 34.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.18 -7.12 27.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.857 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 73.5 p -149.71 157.28 43.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.426 ' O ' ' C ' ' A' ' 113' ' ' LYS . 10.5 p-10 -124.61 -36.29 2.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.915 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 112' ' ' ASN . 39.2 mmtm -34.97 -50.11 0.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.469 ' CG ' ' N ' ' A' ' 115' ' ' LEU . 36.7 p-80 -64.01 -46.29 85.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.853 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.737 HD13 ' CD1' ' A' ' 106' ' ' PHE . 41.7 mt -50.64 -41.22 54.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.408 ' HE1' HD21 ' A' ' 112' ' ' ASN . 48.4 m95 -64.59 -55.65 19.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -47.39 -37.07 10.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -64.06 -53.88 42.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 82.0 mt -48.39 -44.42 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 28.4 t -57.75 -57.23 13.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.808 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 59.7 p -45.82 -50.88 13.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 55.9 mttt -50.88 -55.08 18.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.901 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 34.8 mmm -46.15 -56.28 5.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 54.9 mtt180 -49.57 -38.25 30.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -65.03 -43.08 93.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.476 ' HE3' ' N ' ' A' ' 126' ' ' LYS . 0.1 OUTLIER -69.34 -52.74 24.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.911 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLY . . . . . 0.52 ' O ' ' CD1' ' A' ' 128' ' ' PHE . . . 154.89 34.27 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.498 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.52 ' CD1' ' O ' ' A' ' 127' ' ' GLY . 24.7 m-85 -142.83 105.87 4.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.92 0.391 . . . . 0.0 110.865 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.86 99.99 12.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.591 ' NH1' ' CD2' ' A' ' 87' ' ' TRP . 20.6 mmt85 -140.43 130.62 24.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.5 m -55.5 159.35 4.82 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.648 0.737 . . . . 0.0 110.882 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -45.14 1.66 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.697 2.265 . . . . 0.0 112.308 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -55.43 -42.06 73.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.182 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 61.7 mmm -58.5 -39.44 80.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 77.5 m -68.17 -37.34 80.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.845 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 15.7 m -60.65 -59.97 4.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.199 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -58.36 -45.99 87.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 21.7 tptt -49.02 -46.74 44.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.792 ' NE1' HD21 ' A' ' 143' ' ' LEU . 62.1 t-105 -59.4 -54.93 41.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.976 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.28 -44.51 2.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -63.13 -48.1 79.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 28.4 mt -50.82 -42.66 58.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.792 HD21 ' NE1' ' A' ' 139' ' ' TRP . 18.3 mt -61.59 -49.73 75.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.72 -38.78 61.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.928 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -78.56 -37.74 41.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.856 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -58.71 -43.46 90.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.867 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 66.3 mttt -59.15 -46.68 87.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.872 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 24.9 tptt -97.66 26.03 5.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -55.05 94.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.112 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' LYS . . . . . 0.457 ' HG3' ' N ' ' A' ' 151' ' ' HIS . 8.4 ttpt -99.93 148.44 24.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.879 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 151' ' ' HIS . . . . . 0.457 ' N ' ' HG3' ' A' ' 150' ' ' LYS . 5.8 p-80 -145.86 171.62 14.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.898 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 20.7 t-80 47.1 46.44 16.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 25.2 p-10 -104.67 151.95 23.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 9.1 ptt180 -77.06 154.1 33.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 140.25 131.83 2.8 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.452 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -96.83 -38.45 9.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.876 0.369 . . . . 0.0 110.879 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 85.12 58.63 2.06 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.515 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 24.0 p -159.7 122.62 3.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.887 0.375 . . . . 0.0 110.832 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -71.58 -58.85 3.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.105 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.39 -62.02 1.36 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 161' ' ' MET . . . . . 0.4 ' O ' ' C ' ' A' ' 162' ' ' SER . 12.2 mmt -140.46 136.3 32.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.837 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 162' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 161' ' ' MET . 78.6 p -38.44 125.25 1.34 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -89.73 64.69 6.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -78.46 -6.03 54.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.906 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 19.6 mmmt -101.96 57.9 0.82 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.966 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 40.0 mmtt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.871 0.367 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -85.89 139.7 31.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.879 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 37.8 mtm180 -103.81 110.33 22.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -168.44 -175.44 2.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.1 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -85.89 50.52 1.99 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 4.0 m -98.36 135.37 40.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.144 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 25.3 m95 -64.82 157.58 27.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.545 HG22 ' CD ' ' A' ' 91' ' ' GLU . 35.7 m -110.51 176.85 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.464 ' HG2' ' N ' ' A' ' 90' ' ' ASP . 0.3 OUTLIER -64.31 -34.29 77.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.464 ' N ' ' HG2' ' A' ' 89' ' ' GLN . 74.3 m-20 -66.86 -62.76 1.28 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.545 ' CD ' HG22 ' A' ' 88' ' ' VAL . 1.2 mp0 -53.72 -56.65 15.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.55 HG22 ' CD1' ' A' ' 96' ' ' ILE . 96.9 m -46.03 -57.13 4.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.173 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.5 ttm180 -49.16 -58.5 4.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.404 ' O ' ' CD2' ' A' ' 98' ' ' PHE . 1.7 t -45.55 -50.62 12.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 96' ' ' ILE . 15.6 tp -62.16 -65.38 0.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.55 ' CD1' HG22 ' A' ' 92' ' ' THR . 98.1 mt -37.43 -47.98 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.12 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 48.4 mtp -63.82 -54.12 39.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.404 ' CD2' ' O ' ' A' ' 94' ' ' SER . 17.5 m-85 -49.02 -42.76 39.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.858 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.585 ' HG2' ' CH2' ' A' ' 139' ' ' TRP . 6.8 tpt180 -66.26 -42.14 88.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 62.8 mtp85 -59.0 -57.55 12.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -53.7 -44.71 69.5 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.555 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.435 ' O ' ' C ' ' A' ' 103' ' ' ASP . 66.4 mtp -73.0 -21.95 60.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.741 0.305 . . . . 0.0 110.877 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 102' ' ' MET . 26.3 t0 -35.39 -52.75 0.64 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 103' ' ' ASP . . . -37.65 -45.24 1.43 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.512 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 57.7 mt -64.41 -46.71 82.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.853 0.359 . . . . 0.0 110.9 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.577 ' CD1' HD13 ' A' ' 115' ' ' LEU . 69.9 m-85 -55.72 -46.37 77.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.906 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 58.3 m-80 -52.83 -50.56 63.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.855 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.624 HG23 ' O ' ' A' ' 108' ' ' THR . 7.7 t -118.6 87.93 2.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 47.6 t -172.73 143.49 1.28 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 7.2 tptm -80.62 -47.08 14.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.946 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 33.3 t -94.81 143.97 26.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 115' ' ' LEU . 1.0 OUTLIER -121.16 -43.78 2.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.901 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -41.22 -38.44 1.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.511 ' CE1' ' HG ' ' A' ' 115' ' ' LEU . 9.3 p-80 -63.89 -38.51 91.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.886 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.577 HD13 ' CD1' ' A' ' 106' ' ' PHE . 96.1 mt -62.97 -40.05 96.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 27.2 m95 -61.31 -58.75 7.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -52.34 -31.6 34.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -66.68 -48.02 70.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 96.2 mt -55.28 -50.42 64.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 60.3 p -54.79 -46.63 74.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 57.8 m -59.04 -49.29 78.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 28.2 mttm -54.91 -50.97 67.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 35.1 mmm -49.33 -53.84 20.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 3.5 mtp-105 -52.52 -38.53 59.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -62.88 -40.5 97.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.47 ' HE2' ' N ' ' A' ' 126' ' ' LYS . 0.6 OUTLIER -72.48 -40.84 66.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.911 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 142.11 38.84 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.474 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -143.17 110.07 5.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.833 0.349 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -96.15 94.23 7.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 17.2 mmt180 -135.16 132.69 38.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.1 m -52.91 160.43 1.49 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.673 0.749 . . . . 0.0 110.829 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -49.73 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.638 2.226 . . . . 0.0 112.325 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -57.43 -38.14 73.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.173 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 92.4 mmm -50.72 -50.41 55.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 97.5 m -67.9 -31.27 70.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 19.0 m -64.12 -48.95 74.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -71.71 -47.81 51.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 25.2 tptt -59.72 -40.55 88.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.783 ' CZ2' HD21 ' A' ' 143' ' ' LEU . 45.8 t-105 -60.16 -54.91 40.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.929 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -48.87 -43.01 38.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -63.58 -42.2 98.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.495 HD13 HG12 ' A' ' 96' ' ' ILE . 29.8 mt -55.72 -35.39 66.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.783 HD21 ' CZ2' ' A' ' 139' ' ' TRP . 27.8 mt -69.3 -50.34 47.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.85 -41.18 73.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 145' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 146' ' ' PHE . 13.1 pt-20 -74.27 -44.13 54.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.495 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 3.8 m-85 -53.48 -44.43 68.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -49.09 -29.37 5.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -54.7 -40.1 68.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -57.79 178.46 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.069 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.01 -37.2 11.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -162.85 150.54 13.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -173.77 107.55 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -170.4 106.63 0.31 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.94 -59.14 4.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -166.03 173.94 41.61 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.472 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -66.24 -41.85 89.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.862 0.363 . . . . 0.0 110.88 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 101.42 -62.52 0.55 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 4.7 t 52.32 42.23 30.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.813 0.34 . . . . 0.0 110.853 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -46.73 -54.17 10.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.098 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 18.4 tptt 66.17 41.82 3.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 34.2 tpp -76.1 142.78 41.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 14.9 t -128.78 119.28 24.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -169.46 122.81 0.77 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.97 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 164' ' ' TYR . . . . . 0.489 ' CG ' ' N ' ' A' ' 165' ' ' LYS . 64.0 t80 -152.22 162.98 40.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 165' ' ' LYS . . . . . 0.489 ' N ' ' CG ' ' A' ' 164' ' ' TYR . 39.9 tttp -42.3 150.92 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.919 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 166' ' ' GLU . . . . . 0.428 ' N ' ' HG2' ' A' ' 165' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.413 ' HD2' ' C ' ' A' ' 81' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.842 0.353 . . . . 0.0 110.89 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.417 ' HE3' ' HB2' ' A' ' 84' ' ' ALA . 0.0 OUTLIER -76.21 -176.17 3.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.837 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 -94.23 50.14 1.36 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.417 ' HB2' ' HE3' ' A' ' 82' ' ' LYS . . . -56.26 155.86 6.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.063 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -104.6 -31.62 9.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 17.6 m -69.87 -50.04 46.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.145 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 18.8 m95 -113.96 144.07 43.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.417 ' O ' ' C ' ' A' ' 89' ' ' GLN . 21.4 m -104.2 155.7 5.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.139 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 88' ' ' VAL . 0.7 OUTLIER -37.04 -53.92 0.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.9 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -52.81 -69.94 0.1 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.845 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -41.98 -48.97 4.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 98.7 m -61.18 -37.57 83.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.151 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 -69.13 -45.98 68.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.845 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 t -59.97 -48.11 83.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 16.4 tp -55.5 -67.83 0.25 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 98.6 mt -37.71 -53.39 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 30.8 tpp -48.98 -60.37 2.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.513 ' CE1' ' HE2' ' A' ' 122' ' ' LYS . 39.2 m-85 -51.52 -40.93 60.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.858 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.561 ' HG2' ' CZ3' ' A' ' 139' ' ' TRP . 37.3 tpt85 -61.3 -36.2 79.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 27.4 mtt180 -72.67 -48.37 39.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -63.68 -20.94 64.53 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.519 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 45.1 mtp -102.69 -11.62 18.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.8 0.333 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 104' ' ' GLY . 0.4 OUTLIER -40.62 -43.26 1.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.813 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.421 ' N ' ' OD1' ' A' ' 103' ' ' ASP . . . -44.47 -42.43 7.24 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.461 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.472 ' HB3' HD21 ' A' ' 115' ' ' LEU . 38.5 mt -72.81 -35.63 67.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.786 0.327 . . . . 0.0 110.875 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.57 ' CE2' ' HB3' ' A' ' 112' ' ' ASN . 72.5 m-85 -70.13 -28.25 65.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -54.99 -53.64 53.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.664 HG23 ' O ' ' A' ' 108' ' ' THR . 9.5 t -121.34 99.51 6.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.17 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.1 t -170.24 123.8 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.47 -13.67 9.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.898 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 20.8 p -168.98 122.05 0.8 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.573 ' HB3' HD12 ' A' ' 115' ' ' LEU . 2.0 m-20 -88.56 34.84 0.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.37 -65.43 0.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.938 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.53 ' CE1' ' HG ' ' A' ' 115' ' ' LEU . 22.9 p-80 -51.29 -26.84 8.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.839 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.573 HD12 ' HB3' ' A' ' 112' ' ' ASN . 72.9 mt -71.25 -50.58 31.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 9.7 m95 -54.95 -52.3 63.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -61.67 -32.69 72.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -66.57 -46.38 76.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 83.2 mt -58.76 -46.65 90.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.109 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 26.4 p -54.82 -59.52 4.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.798 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 43.5 m -45.18 -51.84 10.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.852 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.513 ' HE2' ' CE1' ' A' ' 98' ' ' PHE . 30.5 mtpt -49.76 -67.29 0.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' MET . . . . . 0.431 ' C ' ' O ' ' A' ' 122' ' ' LYS . 32.9 mmm -34.51 -54.48 0.53 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 14.7 ttt180 -50.39 -50.85 50.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -54.99 -39.96 69.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.96 -37.52 75.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 146.86 -10.49 1.4 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -99.3 103.52 15.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.83 0.348 . . . . 0.0 110.898 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' A' ' 129' ' ' ASP . 1.9 p30 -90.2 102.31 15.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 43.0 mmt-85 -141.33 145.98 36.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.4 m -69.9 160.39 80.4 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.671 0.748 . . . . 0.0 110.87 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 -41.17 4.56 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.672 2.248 . . . . 0.0 112.404 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.13 -37.38 74.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' MET . . . . . 0.404 ' CE ' ' HA ' ' A' ' 134' ' ' MET . 1.7 mmt -58.63 -46.97 85.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 70.9 m -62.69 -38.42 90.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 78.5 m -62.45 -59.58 4.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.161 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -61.82 -46.34 89.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 35.5 tptt -56.47 -47.46 79.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.594 ' HA ' HD12 ' A' ' 142' ' ' LEU . 71.3 t-105 -54.04 -49.5 68.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.941 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -51.52 -48.32 63.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -56.94 -43.51 81.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.594 HD12 ' HA ' ' A' ' 139' ' ' TRP . 45.8 mt -56.33 -42.27 77.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 34.1 mt -60.99 -44.66 97.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.34 -47.79 69.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -71.9 -45.07 62.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.833 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -49.96 -34.41 20.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 17.0 tttt -76.95 -40.13 48.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 38.8 mmtt -64.76 -39.86 94.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -83.38 -175.1 5.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.089 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.29 172.32 6.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.77 167.45 21.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.829 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 20.8 m80 -148.06 115.97 6.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 22.2 p-10 -95.92 91.54 6.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 55.3 ttm-85 -138.06 154.47 49.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -174.49 108.3 0.26 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.485 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 38.2 t-20 -89.69 -41.39 11.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.88 0.371 . . . . 0.0 110.852 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 59.99 -169.05 7.68 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.482 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 4.1 m -115.76 87.44 2.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.889 0.376 . . . . 0.0 110.859 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 160' ' ' LYS . . . -94.18 -41.96 9.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.106 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 159' ' ' ALA . 75.3 mttt -35.73 -62.29 0.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -171.07 176.09 4.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 41.1 t -120.63 -55.08 2.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -85.21 136.21 33.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 164' ' ' TYR . . . . . 0.42 ' C ' ' HD3' ' A' ' 165' ' ' LYS . 0.1 OUTLIER -92.8 -10.51 36.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.924 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 165' ' ' LYS . . . . . 0.42 ' HD3' ' C ' ' A' ' 164' ' ' TYR . 0.0 OUTLIER -143.44 172.04 13.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.87 179.914 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.919 179.961 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.826 0.346 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 26.6 mtmm -72.4 155.83 39.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 51.3 mmt-85 -59.55 100.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.53 102.15 14.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -73.81 100.42 3.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.892 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 22.3 m -133.64 -40.26 0.88 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 14.5 m95 -103.04 143.68 32.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.8 m -97.15 165.99 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.17 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.405 ' HG3' ' N ' ' A' ' 90' ' ' ASP . 26.9 pt20 -54.46 -45.04 73.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.931 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.405 ' N ' ' HG3' ' A' ' 89' ' ' GLN . 68.2 m-20 -51.49 -65.68 0.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.471 ' HG2' ' CD1' ' A' ' 128' ' ' PHE . 73.5 mt-10 -59.18 -62.74 1.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 91' ' ' GLU . 85.3 m -36.88 -50.89 0.88 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.164 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.8 ttt85 -59.21 -51.28 70.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.3 t -54.23 -54.38 40.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.843 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 18.5 tp -51.6 -64.73 0.72 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 66.8 mt -42.69 -44.05 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 9.5 mmt -61.02 -59.16 5.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.876 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -46.76 -39.58 11.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.544 ' CB ' ' CZ3' ' A' ' 139' ' ' TRP . 4.0 mmm180 -68.13 -40.51 82.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 28.2 mtp85 -68.23 -42.21 80.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -66.98 -40.13 93.34 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.503 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 54.0 mtp -88.14 -8.94 54.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.772 0.32 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.27 -45.48 2.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -38.75 -45.8 2.1 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.476 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.439 HD13 ' CD2' ' A' ' 115' ' ' LEU . 60.1 mt -66.25 -49.84 65.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.884 0.373 . . . . 0.0 110.942 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.554 ' CE2' ' HB3' ' A' ' 112' ' ' ASN . 81.9 m-85 -52.98 -41.73 64.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.855 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -47.66 -46.1 28.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.92 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.621 HG23 ' O ' ' A' ' 108' ' ' THR . 7.5 t -118.53 83.17 1.97 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.123 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 6.1 t -174.63 126.63 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.42 ' C ' ' HD2' ' A' ' 110' ' ' LYS . 3.3 tmmm? -65.4 -53.73 38.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.419 ' N ' ' HD2' ' A' ' 110' ' ' LYS . 47.2 t -113.94 118.65 34.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.834 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.554 ' HB3' ' CE2' ' A' ' 106' ' ' PHE . 13.3 m-20 -90.37 31.64 1.0 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.919 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 41.6 tttt -67.11 -53.52 29.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 48.3 p-80 -58.19 -38.26 76.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.858 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.51 HD13 ' CD1' ' A' ' 106' ' ' PHE . 55.9 mt -62.58 -42.1 99.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.878 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.426 ' CD1' ' O ' ' A' ' 112' ' ' ASN . 19.0 m95 -59.3 -57.58 12.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -52.21 -34.48 45.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -70.65 -56.47 6.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.959 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 67.6 mt -51.32 -58.26 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.159 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -52.21 -52.83 49.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 6.0 m -51.03 -49.82 59.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 29.8 mtpt -53.35 -46.79 69.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.914 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 36.2 mmm -51.55 -51.33 56.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 13.7 mtt-85 -54.25 -40.51 67.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -63.9 -40.15 95.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.476 ' HE2' ' N ' ' A' ' 126' ' ' LYS . 0.5 OUTLIER -69.49 -28.57 66.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.902 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 135.8 -10.3 4.25 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.474 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.471 ' CD1' ' HG2' ' A' ' 91' ' ' GLU . 22.8 m-85 -97.31 105.91 18.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.88 0.371 . . . . 0.0 110.879 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -95.21 97.66 10.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -135.38 133.76 39.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 6.7 m -51.24 152.48 4.14 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.628 0.728 . . . . 0.0 110.854 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -36.79 10.12 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.65 2.233 . . . . 0.0 112.39 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -63.36 -36.78 84.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 76.3 mmm -59.49 -47.77 84.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 47.7 m -61.65 -38.11 86.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 84.9 m -61.3 -61.14 2.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.171 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -61.53 -44.13 97.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 38.8 tptt -51.9 -47.15 64.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.544 ' CZ3' ' CB ' ' A' ' 99' ' ' ARG . 64.8 t-105 -58.68 -53.28 60.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.922 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.99 -46.98 5.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 33.5 t30 -61.05 -45.65 93.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.546 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 40.2 mt -52.68 -35.93 56.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.446 HD21 ' NE1' ' A' ' 139' ' ' TRP . 33.4 mt -69.52 -44.86 70.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 25.1 tptp -61.14 -43.58 98.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.907 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -73.08 -42.4 63.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.546 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 3.1 m-85 -53.7 -42.7 68.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -66.62 -60.64 2.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.927 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp -84.79 27.61 0.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -61.26 125.23 23.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 151' ' ' HIS . 32.9 tttm -43.04 167.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 151' ' ' HIS . . . . . 0.445 ' C ' ' O ' ' A' ' 150' ' ' LYS . 1.6 p-80 -34.0 140.55 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.884 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 18.3 m170 -46.55 162.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 63.08 43.41 6.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 19.4 ptt180 -82.64 163.66 21.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -68.39 165.18 47.16 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.505 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -99.47 -41.81 7.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.873 0.368 . . . . 0.0 110.909 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 158.31 -152.19 23.33 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.487 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 1.1 t -85.63 155.0 21.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.904 0.383 . . . . 0.0 110.859 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -98.68 -43.83 6.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.121 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 15.0 ttpt -37.24 145.65 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 6.4 ttt -144.45 132.01 21.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 93.2 p -43.44 116.77 0.99 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.857 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -168.8 135.92 1.91 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -114.68 123.67 49.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.924 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 165' ' ' LYS . . . . . 0.419 ' H ' ' CD ' ' A' ' 165' ' ' LYS . 0.0 OUTLIER -86.31 138.78 31.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 179.962 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.474 ' HE3' ' N ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.842 0.353 . . . . 0.0 110.907 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -72.51 146.99 46.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -49.8 118.01 2.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -98.75 117.76 33.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.095 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -99.14 99.77 10.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 31.9 p -124.83 -44.0 1.96 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.584 ' CZ2' ' HD3' ' A' ' 130' ' ' ARG . 14.5 m95 -116.38 155.33 28.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.688 HG23 ' H ' ' A' ' 91' ' ' GLU . 34.7 m -104.11 138.04 30.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.164 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.454 ' HG3' ' N ' ' A' ' 90' ' ' ASP . 11.7 pt20 -34.07 -40.84 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.454 ' N ' ' HG3' ' A' ' 89' ' ' GLN . 3.4 m-20 -58.94 -62.56 1.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.688 ' H ' HG23 ' A' ' 88' ' ' VAL . 40.7 mt-10 -61.17 -47.01 88.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 66.6 m -53.77 -48.85 69.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 16.5 ttm-85 -67.44 -43.57 80.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.438 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 88.3 p -57.33 -35.29 69.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 23.1 tp -73.69 -60.82 2.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.947 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.428 HG22 ' HD2' ' A' ' 100' ' ' ARG . 62.0 mt -38.34 -47.5 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 86.0 mmm -64.73 -51.11 64.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.438 ' CD1' ' O ' ' A' ' 94' ' ' SER . 3.2 m-85 -49.75 -48.0 50.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.647 ' NH1' ' CZ ' ' A' ' 106' ' ' PHE . 6.0 mmm180 -60.88 -57.9 10.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.843 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.428 ' HD2' HG22 ' A' ' 96' ' ' ILE . 40.8 mtp85 -39.34 -44.13 1.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -71.18 -42.38 58.17 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.531 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.452 ' O ' ' C ' ' A' ' 103' ' ' ASP . 72.8 mmm -69.33 -22.61 63.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.807 0.336 . . . . 0.0 110.9 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 102' ' ' MET . 2.7 t0 -34.04 -46.95 0.25 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.404 ' O ' HG22 ' A' ' 108' ' ' THR . . . -54.97 -56.86 20.96 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.471 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.565 ' HB3' HD21 ' A' ' 115' ' ' LEU . 40.2 mt -49.18 -36.49 19.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.876 0.37 . . . . 0.0 110.927 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.647 ' CZ ' ' NH1' ' A' ' 99' ' ' ARG . 71.7 m-85 -64.82 -34.08 77.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -83.26 -54.6 4.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.404 HG22 ' O ' ' A' ' 104' ' ' GLY . 9.7 t -66.21 -33.51 75.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.15 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 105' ' ' LEU . 1.0 OUTLIER -103.6 124.0 48.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.854 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 15.3 tptm -61.58 -47.0 87.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 37.4 p -70.63 136.73 49.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.449 ' HA ' HD12 ' A' ' 115' ' ' LEU . 5.0 p30 -116.84 -35.15 4.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 43.8 mmtt -44.91 -49.45 11.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.557 ' CE1' ' HG ' ' A' ' 115' ' ' LEU . 16.8 p-80 -58.92 -37.5 76.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.565 HD21 ' HB3' ' A' ' 105' ' ' LEU . 88.1 mt -63.1 -42.69 99.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.909 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.579 ' CH2' ' HA ' ' A' ' 136' ' ' THR . 21.4 m95 -57.52 -58.89 6.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.949 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.456 ' HG3' ' N ' ' A' ' 118' ' ' GLN . 8.1 pt-20 -51.3 -35.47 37.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.456 ' N ' ' HG3' ' A' ' 117' ' ' GLU . 18.2 mt-30 -61.75 -43.59 98.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.883 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 80.9 mt -59.81 -50.96 78.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 13.7 t -55.06 -56.58 18.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.817 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 23.0 t -53.13 -45.43 68.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 44.8 mttm -60.34 -54.34 46.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 37.2 mmm -46.26 -57.16 4.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.842 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 24.0 ttp180 -48.35 -48.41 36.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -56.35 -43.1 78.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.856 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.435 ' HE2' ' N ' ' A' ' 126' ' ' LYS . 0.0 OUTLIER -67.48 -48.91 65.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 150.7 34.33 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.521 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.587 ' CD1' ' HG2' ' A' ' 91' ' ' GLU . 43.3 m-85 -142.15 105.13 4.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.866 0.365 . . . . 0.0 110.869 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -89.87 95.7 10.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.584 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 6.9 mmp_? -139.77 130.09 25.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 19.4 m -52.6 152.8 6.18 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.664 0.745 . . . . 0.0 110.824 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -34.69 14.07 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.704 2.269 . . . . 0.0 112.32 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 1.6 p -67.15 -39.3 86.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.179 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 72.5 mmm -57.38 -39.29 75.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 56.8 m -70.34 -40.48 74.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.579 ' HA ' ' CH2' ' A' ' 116' ' ' TRP . 52.7 m -56.29 -52.43 64.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.157 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -67.57 -44.04 79.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 44.9 tptt -56.96 -46.54 82.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 72.5 t-105 -57.69 -50.37 73.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 27.6 mtp180 -51.72 -45.0 63.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -58.63 -43.06 89.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.441 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 87.3 mt -58.18 -41.98 85.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 41.0 mt -60.68 -40.8 93.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.939 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.08 -51.93 65.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -65.68 -36.43 83.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.441 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 5.8 m-85 -57.0 -40.73 77.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -60.67 -63.65 1.22 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 7.2 ptmm? -56.75 -41.62 77.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.914 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -71.58 174.61 6.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -63.09 171.32 2.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -83.44 168.86 16.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.838 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 17.4 t60 -125.11 145.16 50.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -60.01 147.85 37.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.861 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -85.59 178.55 7.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -110.11 154.6 16.5 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.501 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 18.2 p-10 -103.98 17.75 23.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.853 0.358 . . . . 0.0 110.879 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -95.05 145.5 17.75 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.498 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 46.4 t -123.1 124.21 42.58 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.878 0.371 . . . . 0.0 110.89 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -82.71 -53.84 5.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -40.68 108.12 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.927 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 5.0 ptm -111.61 175.47 5.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 11.7 t -57.41 95.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.829 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -100.71 148.28 25.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 164' ' ' TYR . . . . . 0.636 ' CD1' ' C ' ' A' ' 164' ' ' TYR . 0.2 OUTLIER -116.56 149.96 38.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.894 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -175.41 138.37 0.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.872 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.963 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.435 ' HE3' ' N ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.85 0.357 . . . . 0.0 110.916 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 17.4 mtmm -158.59 161.01 37.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.3 mtp85 -85.81 79.14 9.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -172.65 -175.92 1.4 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.104 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -69.19 86.85 0.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.429 HG22 ' N ' ' A' ' 87' ' ' TRP . 22.7 m -130.16 156.5 44.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.429 ' N ' HG22 ' A' ' 86' ' ' THR . 42.5 m95 -61.22 150.7 33.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.425 HG23 ' H ' ' A' ' 91' ' ' GLU . 5.8 m -106.31 143.81 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 88' ' ' VAL . 31.2 tt0 -36.77 -52.5 0.91 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.96 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -47.08 -67.84 0.24 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.468 ' HG2' ' CD1' ' A' ' 128' ' ' PHE . 48.0 mt-10 -52.59 -60.44 3.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.906 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 15.4 m -40.73 -49.35 3.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.133 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.6 -52.86 63.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.1 t -54.83 -42.88 72.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 14.2 tp -63.6 -63.29 1.22 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 69.2 mt -42.77 -44.77 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 6.5 tpt -63.32 -60.81 2.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -46.21 -43.68 15.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.635 ' NH1' ' CZ ' ' A' ' 106' ' ' PHE . 10.8 tpt180 -61.69 -42.86 99.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.864 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 28.1 mtt-85 -65.31 -54.17 32.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -56.55 -24.03 45.32 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.486 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 46.9 mtp -97.41 -12.93 22.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.78 0.324 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.412 ' OD1' ' C ' ' A' ' 103' ' ' ASP . 0.1 OUTLIER -40.77 -44.96 2.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.896 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.411 ' N ' ' OD1' ' A' ' 103' ' ' ASP . . . -37.76 -48.58 1.87 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.476 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.455 HD13 ' CD2' ' A' ' 115' ' ' LEU . 23.1 mt -63.82 -56.05 18.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.841 0.353 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.635 ' CZ ' ' NH1' ' A' ' 99' ' ' ARG . 79.5 m-85 -47.45 -47.89 26.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 14.4 m-20 -45.1 -38.25 4.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.2 t -148.05 106.0 3.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.185 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 10.8 t -167.76 142.28 3.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 10.3 tptp -54.71 -49.15 71.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 4.2 t -126.98 177.63 6.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.436 ' O ' ' N ' ' A' ' 115' ' ' LEU . 1.0 OUTLIER -129.47 -39.01 1.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -38.34 -46.53 1.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.571 ' CE1' ' HG ' ' A' ' 115' ' ' LEU . 27.5 p-80 -60.45 -42.63 96.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.571 ' HG ' ' CE1' ' A' ' 114' ' ' HIS . 90.3 mt -56.48 -46.52 80.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.947 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.602 ' CZ2' ' NH1' ' A' ' 99' ' ' ARG . 77.6 m95 -57.41 -46.57 83.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.932 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -53.51 -41.38 66.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -61.5 -48.74 79.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.935 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 88.0 mt -57.37 -55.3 21.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 76.8 p -48.51 -53.41 18.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.824 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 31.2 t -51.99 -57.93 8.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 16.2 mttm -45.62 -63.74 0.89 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 34.4 mmm -39.71 -57.05 1.6 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 30.3 mtm180 -44.95 -42.59 8.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -69.01 -48.24 63.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.859 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.459 ' HD2' ' N ' ' A' ' 126' ' ' LYS . 7.6 mmmt -52.33 -39.34 60.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 136.02 30.01 0.33 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.508 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.468 ' CD1' ' HG2' ' A' ' 91' ' ' GLU . 27.8 m-85 -140.44 106.57 5.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.846 0.355 . . . . 0.0 110.909 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -87.83 103.67 15.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 10.2 mmp_? -142.07 130.6 22.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' SER . . . . . 0.404 ' HB2' ' CG ' ' A' ' 134' ' ' MET . 6.4 m -50.65 156.49 1.56 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.635 0.731 . . . . 0.0 110.847 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -50.77 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.651 2.234 . . . . 0.0 112.333 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -56.52 -34.93 67.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.161 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' MET . . . . . 0.404 ' CG ' ' HB2' ' A' ' 131' ' ' SER . 79.6 mmm -54.14 -54.93 32.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 99.6 m -60.29 -36.53 78.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.848 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 5.4 m -59.26 -54.71 43.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -66.21 -50.14 64.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 24.4 tptt -51.87 -43.89 63.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.571 ' CH2' ' HG2' ' A' ' 99' ' ' ARG . 73.0 t-105 -58.5 -54.0 52.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 18.7 mtp85 -46.43 -44.07 16.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -63.58 -39.43 94.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.591 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 32.1 mt -60.59 -31.53 70.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.498 HD21 ' CE2' ' A' ' 139' ' ' TRP . 26.6 mt -74.73 -38.89 62.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 18.3 tptp -69.54 -28.05 65.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.896 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' GLU . . . . . 0.536 ' OE2' ' CG ' ' A' ' 146' ' ' PHE . 2.0 pp20? -91.75 -34.56 14.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.591 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 2.6 m-85 -59.11 -46.26 88.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 8.6 ptmm? -68.08 -56.82 7.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.42 28.99 0.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.946 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -51.64 -175.0 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 9.3 ptmt -71.48 66.96 0.5 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.895 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' HIS . . . . . 0.45 ' O ' ' C ' ' A' ' 152' ' ' HIS . 1.1 m-70 -133.87 178.23 7.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 152' ' ' HIS . . . . . 0.45 ' C ' ' O ' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -34.45 102.82 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.813 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 6.4 p30 -173.93 176.27 2.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 32.1 ttp180 -113.61 128.83 56.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 172.92 111.9 0.27 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.435 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -99.19 -41.19 7.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.876 0.37 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 98.28 -138.11 13.68 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.544 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 31.4 p -161.97 160.63 27.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.872 0.368 . . . . 0.0 110.831 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -95.92 -60.88 1.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.083 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -45.79 130.59 9.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 30.7 mtm -114.12 -61.46 1.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 162' ' ' SER . . . . . 0.455 ' O ' ' CG ' ' A' ' 163' ' ' TYR . 4.4 t -170.86 169.95 6.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 163' ' ' TYR . . . . . 0.455 ' CG ' ' O ' ' A' ' 162' ' ' SER . 21.4 m-85 -164.51 108.23 0.92 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -109.45 -10.1 14.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.939 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 18.2 tttm -96.83 151.96 19.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.88 179.936 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.854 0.359 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 21.8 mmmt -106.62 92.96 4.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 4.8 tpp85 -62.07 124.43 20.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -114.04 129.53 56.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.09 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -101.85 -33.94 9.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.9 m -48.82 -53.44 19.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.103 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 20.2 m95 -109.5 121.75 45.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.551 HG23 ' H ' ' A' ' 91' ' ' GLU . 32.6 m -73.34 157.57 6.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -50.62 -50.8 53.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.18 -66.44 0.39 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.551 ' H ' HG23 ' A' ' 88' ' ' VAL . 48.9 mt-10 -51.24 -59.39 4.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 59.8 m -42.35 -55.16 3.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.149 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -61.12 -44.59 97.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.821 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.52 ' O ' ' CD2' ' A' ' 98' ' ' PHE . 47.7 m -55.25 -45.29 76.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 96' ' ' ILE . 24.2 tp -63.21 -65.0 0.75 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.869 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.416 ' C ' ' O ' ' A' ' 95' ' ' LEU . 60.8 mt -36.68 -59.44 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 8.5 tpt -51.29 -57.21 9.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.52 ' CD2' ' O ' ' A' ' 94' ' ' SER . 13.0 m-85 -45.95 -41.59 11.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.547 ' HG2' ' CH2' ' A' ' 139' ' ' TRP . 36.7 tpt85 -66.88 -40.33 87.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.875 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 -57.24 -43.35 82.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -70.8 -42.24 61.58 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.513 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 72.6 mmm -70.14 -21.8 63.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.825 0.345 . . . . 0.0 110.926 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -40.96 -55.6 2.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.826 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -40.3 -47.82 3.62 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.492 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.476 ' HB3' HD21 ' A' ' 115' ' ' LEU . 54.0 mt -57.25 -54.68 44.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.883 0.373 . . . . 0.0 110.899 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.655 ' CD1' HD13 ' A' ' 115' ' ' LEU . 75.5 m-85 -44.59 -38.64 4.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -75.12 -49.54 19.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.485 HG23 ' O ' ' A' ' 108' ' ' THR . 7.3 t -91.29 34.52 0.94 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 7.5 p -151.18 134.21 15.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.873 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 26.5 tptt -72.56 -43.43 63.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.1 t -95.51 142.48 27.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.497 ' O ' ' N ' ' A' ' 115' ' ' LEU . 13.2 p-10 -115.46 -38.22 3.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 112' ' ' ASN . 14.1 mmtm -37.17 -44.99 0.59 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.536 ' CE1' ' HG ' ' A' ' 115' ' ' LEU . 8.0 p-80 -61.36 -41.26 96.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.871 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.655 HD13 ' CD1' ' A' ' 106' ' ' PHE . 89.7 mt -59.77 -36.73 77.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.942 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 13.4 m95 -64.14 -57.27 10.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.935 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.418 ' CG ' ' O ' ' A' ' 114' ' ' HIS . 8.6 pt-20 -52.75 -29.39 26.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.855 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -70.13 -45.91 65.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.96 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 65.3 mt -57.68 -46.02 86.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 59.8 p -57.48 -54.04 51.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 64.8 m -49.42 -50.45 40.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 33.9 mttm -50.35 -60.72 2.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 39.6 mmm -42.22 -63.28 0.77 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.872 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.497 ' HD3' ' CB ' ' A' ' 129' ' ' ASP . 2.7 mmm180 -39.13 -45.57 1.32 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.813 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -65.37 -51.79 58.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.44 -46.41 73.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLY . . . . . 0.445 ' O ' ' CD1' ' A' ' 128' ' ' PHE . . . 144.11 32.58 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.498 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.527 ' CD1' ' HG2' ' A' ' 91' ' ' GLU . 31.1 m-85 -143.53 105.58 4.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.824 0.345 . . . . 0.0 110.855 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.497 ' CB ' ' HD3' ' A' ' 124' ' ' ARG . 15.0 p-10 -85.02 98.59 10.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.454 ' HA ' ' NE ' ' A' ' 130' ' ' ARG . 4.8 mmp_? -136.1 125.62 25.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.3 m -54.95 160.03 3.31 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.69 0.757 . . . . 0.0 110.866 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -50.88 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.669 2.246 . . . . 0.0 112.339 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 1.2 p -51.44 -45.57 62.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.183 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 98.1 mmm -50.97 -46.19 61.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 96.7 m -64.72 -39.63 93.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 86.4 m -59.32 -56.68 18.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.171 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -62.93 -56.04 20.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 25.5 tptt -47.83 -49.79 28.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.547 ' CH2' ' HG2' ' A' ' 99' ' ' ARG . 68.9 t-105 -52.34 -55.13 23.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.927 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' ARG . . . . . 0.431 ' NH1' ' HB3' ' A' ' 140' ' ' ARG . 6.3 mtp-105 -47.2 -44.21 22.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.861 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -60.62 -41.85 95.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.589 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 51.0 mt -58.36 -33.9 70.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.94 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.465 HD21 ' CE2' ' A' ' 139' ' ' TRP . 23.5 mt -69.28 -44.52 71.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.86 -42.86 94.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 145' ' ' GLU . . . . . 0.482 ' OE2' ' CG ' ' A' ' 146' ' ' PHE . 3.1 pp20? -73.26 -34.42 65.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.589 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 2.4 m-85 -62.58 -40.55 97.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -58.25 -52.6 64.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 23.0 mttm -41.43 -52.41 3.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 150' ' ' LYS . . . -44.91 170.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.086 179.783 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 150' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 149' ' ' ALA . 17.4 pttp -34.69 -42.83 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 151' ' ' HIS . . . . . 0.419 ' C ' ' O ' ' A' ' 150' ' ' LYS . 13.8 m-70 -36.92 109.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.888 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -97.25 149.37 22.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -160.43 122.57 3.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 7.2 mmm180 -95.6 166.19 11.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -133.41 175.23 20.3 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.47 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 26.1 m120 -106.48 -41.56 5.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.849 0.357 . . . . 0.0 110.917 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 66.04 -176.03 17.71 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.473 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 48.9 m -139.78 115.27 9.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.866 0.365 . . . . 0.0 110.927 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -100.43 -44.19 5.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.126 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 5.2 ttpm? -39.3 143.24 0.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.868 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 44.3 mtt -123.28 162.53 22.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 162' ' ' SER . . . . . 0.429 ' O ' ' CG ' ' A' ' 163' ' ' TYR . 24.4 p -113.59 165.9 12.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.849 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 163' ' ' TYR . . . . . 0.429 ' CG ' ' O ' ' A' ' 162' ' ' SER . 7.9 m-85 -170.16 154.71 5.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 164' ' ' TYR . . . . . 0.648 ' CD1' ' C ' ' A' ' 164' ' ' TYR . 0.0 OUTLIER -172.42 154.41 3.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.984 -179.923 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 165' ' ' LYS . . . . . 0.51 ' N ' ' CD1' ' A' ' 164' ' ' TYR . 5.8 tptp -173.14 132.9 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.986 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 35.7 mtpt . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.867 0.365 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.4 mtpp -81.98 87.27 6.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.471 ' CZ ' ' HB2' ' A' ' 83' ' ' ARG . 23.0 mtm105 -109.15 155.36 21.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.829 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -117.11 36.42 4.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.108 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -75.61 86.94 2.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -128.01 -38.97 1.79 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.159 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 14.8 m95 -101.88 157.5 16.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.44 HG23 ' H ' ' A' ' 91' ' ' GLU . 13.9 m -108.78 150.45 11.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.099 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -37.12 -53.56 1.01 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -48.92 -60.28 2.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.44 ' H ' HG23 ' A' ' 88' ' ' VAL . 53.6 mt-10 -63.37 -62.14 1.88 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.587 HG22 ' CD1' ' A' ' 96' ' ' ILE . 19.5 m -40.33 -56.1 2.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.137 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.87 -47.47 71.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.8 t -54.14 -49.72 68.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.8 tp -63.05 -62.35 1.77 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.587 ' CD1' HG22 ' A' ' 92' ' ' THR . 63.4 mt -39.71 -63.88 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.181 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 11.7 tpt -44.68 -59.18 2.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -47.22 -44.36 22.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.527 ' HG2' ' CE2' ' A' ' 139' ' ' TRP . 29.8 tpt85 -63.78 -51.23 65.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.847 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 57.1 mtp85 -47.46 -35.06 8.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -75.59 -48.63 10.17 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.491 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 69.4 mmm -69.45 -10.78 59.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.78 0.324 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 104' ' ' GLY . 5.0 t0 -43.82 -59.82 2.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 103' ' ' ASP . . . -35.86 -36.94 0.14 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.479 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.483 HD13 ' CD2' ' A' ' 115' ' ' LEU . 18.8 mt -72.77 -59.03 2.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.813 0.339 . . . . 0.0 110.912 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.459 ' CE2' ' HB2' ' A' ' 112' ' ' ASN . 71.3 m-85 -40.49 -45.04 2.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -48.23 -53.86 15.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.569 HG23 ' O ' ' A' ' 108' ' ' THR . 6.1 t -109.09 80.67 1.34 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.119 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.8 t -174.56 120.13 0.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.86 -67.29 0.28 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.931 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 14.7 m -113.45 132.32 55.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.459 ' HB2' ' CE2' ' A' ' 106' ' ' PHE . 3.6 p30 -86.45 22.29 1.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.63 -68.54 0.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.425 ' CE1' ' HG ' ' A' ' 115' ' ' LEU . 42.4 p-80 -51.41 -40.11 58.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.483 ' CD2' HD13 ' A' ' 105' ' ' LEU . 97.6 mt -56.05 -53.79 52.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.575 ' CZ2' ' HA ' ' A' ' 136' ' ' THR . 37.3 m95 -52.33 -47.47 66.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -50.62 -47.26 58.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.83 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -58.58 -58.25 9.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 79.3 mt -52.95 -62.63 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -46.12 -54.1 9.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 47.6 t -50.01 -57.01 8.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.804 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.403 ' O ' ' N ' ' A' ' 125' ' ' GLU . 35.6 mttt -47.64 -58.74 3.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.89 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 23.5 mmm -40.39 -56.48 2.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -53.63 -34.14 57.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.822 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 122' ' ' LYS . 33.2 mt-10 -71.45 -42.66 67.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.46 ' HD2' ' N ' ' A' ' 126' ' ' LYS . 6.8 mmmm -57.45 -52.94 63.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLY . . . . . 0.423 ' O ' ' CD1' ' A' ' 128' ' ' PHE . . . 153.37 33.69 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.423 ' CD1' ' O ' ' A' ' 127' ' ' GLY . 34.0 m-85 -143.69 106.5 4.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.909 0.385 . . . . 0.0 110.831 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -82.22 105.29 13.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.837 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 19.6 mmt180 -142.37 140.02 31.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 4.3 m -63.32 158.38 57.4 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.664 0.745 . . . . 0.0 110.872 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -50.65 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.64 2.227 . . . . 0.0 112.32 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 15.6 p -50.63 -42.75 56.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.177 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 80.9 mmm -50.28 -45.23 54.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 78.6 m -67.12 -36.41 81.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.575 ' HA ' ' CZ2' ' A' ' 116' ' ' TRP . 83.0 m -63.96 -53.68 46.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.103 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -70.51 -48.84 53.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.867 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 27.8 tptt -52.8 -43.43 65.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.561 ' CE2' HD21 ' A' ' 143' ' ' LEU . 69.4 t-105 -61.37 -56.01 25.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 16.2 mtp180 -44.27 -42.48 6.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -61.59 -50.45 72.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 42.9 mt -47.19 -46.37 23.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.561 HD21 ' CE2' ' A' ' 139' ' ' TRP . 18.7 mt -58.79 -52.14 67.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 42.3 tttt -45.38 -45.45 12.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 -74.15 -48.8 26.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -45.04 -36.84 3.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 8.9 tptm -70.74 -54.54 11.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 23.4 mtmm -87.95 28.07 1.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -58.37 87.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.061 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 14.6 tptm -97.76 134.18 41.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -123.14 137.19 54.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -89.5 126.84 35.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 13.9 p30 -54.5 150.06 9.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -48.89 107.03 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 177.49 -168.83 40.69 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.477 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -101.21 -40.52 7.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.854 0.359 . . . . 0.0 110.861 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 66.95 -164.82 42.92 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.479 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 73.6 m -118.4 41.35 2.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.855 0.36 . . . . 0.0 110.873 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -75.14 -60.79 2.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.115 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.414 ' C ' ' HD3' ' A' ' 160' ' ' LYS . 5.5 tmtm? -67.48 -46.99 71.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 3.6 tpp -44.07 117.57 1.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 86.5 p -163.61 163.51 24.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.831 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 34.3 p90 -57.77 123.9 17.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.907 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -100.95 160.41 14.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.961 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 165' ' ' LYS . . . . . 0.444 ' CD ' ' H ' ' A' ' 165' ' ' LYS . 0.0 OUTLIER -75.72 135.73 40.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 179.988 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 10.0 mptt . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.854 0.359 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -55.6 -46.77 77.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.921 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.4 tpp180 70.79 40.42 0.97 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -170.25 140.19 1.86 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -114.1 -34.65 5.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.855 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 92.0 m -96.05 -38.49 10.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 14.1 m95 -98.46 160.2 14.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.55 HG23 ' H ' ' A' ' 91' ' ' GLU . 34.5 m -113.12 154.65 14.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -42.86 -50.19 5.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.27 -63.93 0.98 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.55 ' H ' HG23 ' A' ' 88' ' ' VAL . 40.6 mt-10 -54.65 -62.16 1.84 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.484 HG22 HD11 ' A' ' 96' ' ' ILE . 62.3 m -39.51 -60.32 0.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.16 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.646 ' HA ' HD12 ' A' ' 96' ' ' ILE . 4.7 tpp85 -51.97 -52.55 49.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 15.7 t -45.37 -44.91 12.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.824 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 27.0 tp -69.13 -47.14 65.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.646 HD12 ' HA ' ' A' ' 93' ' ' ARG . 67.1 mt -49.94 -59.37 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.156 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.75 -60.76 2.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -46.33 -37.34 7.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.871 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.638 ' NH1' ' CE2' ' A' ' 106' ' ' PHE . 6.5 tpt180 -68.3 -52.92 28.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 76.7 mtp180 -44.69 -49.62 10.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -63.63 -41.36 99.1 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.472 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.419 ' O ' ' C ' ' A' ' 103' ' ' ASP . 65.9 mmm -70.03 -22.38 63.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.783 0.325 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 102' ' ' MET . 34.2 t70 -36.98 -61.35 0.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 103' ' ' ASP . . . -37.33 -44.16 1.12 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.502 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.496 ' HA ' HG22 ' A' ' 108' ' ' THR . 16.2 mt -62.92 -56.29 18.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.798 0.332 . . . . 0.0 110.893 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.638 ' CE2' ' NH1' ' A' ' 99' ' ' ARG . 67.7 m-85 -41.23 -44.89 2.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -61.36 -49.72 75.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.497 HG23 ' O ' ' A' ' 108' ' ' THR . 12.3 t -81.65 39.6 0.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.151 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 39.9 t -170.74 129.24 0.8 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.836 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -60.68 3.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 49.3 p -95.63 151.08 19.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.85 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.459 ' HB2' ' CE2' ' A' ' 106' ' ' PHE . 6.2 p30 -115.28 34.51 4.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.853 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 14.9 mtpt -65.12 -56.0 15.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.405 ' O ' ' CG ' ' A' ' 117' ' ' GLU . 52.7 p-80 -62.7 -40.52 97.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 61.9 mt -59.19 -48.86 80.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.943 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.58 ' CH2' ' HA ' ' A' ' 136' ' ' THR . 8.8 m95 -54.92 -59.45 4.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.405 ' CG ' ' O ' ' A' ' 114' ' ' HIS . 12.0 pt-20 -51.92 -39.31 58.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -59.51 -55.93 28.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.927 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 74.0 mt -46.31 -50.06 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.099 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 13.5 t -52.25 -48.97 64.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.834 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 54.3 m -53.55 -45.59 69.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.842 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 14.7 mtmt -60.26 -33.05 71.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 68.2 mtp -69.79 -42.28 73.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.22 -48.73 77.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.835 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' A' ' 126' ' ' LYS . 6.8 pt-20 -61.31 -35.0 76.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.456 ' HA ' ' CE ' ' A' ' 126' ' ' LYS . 2.4 mmpt? -72.19 -41.28 67.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.929 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 137.72 36.26 0.17 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.469 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.421 ' CD1' ' HG2' ' A' ' 91' ' ' GLU . 34.9 m-85 -142.36 105.16 4.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.854 0.359 . . . . 0.0 110.868 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 15.2 p-10 -85.1 98.38 10.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -138.68 150.49 46.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 41.6 m -76.27 155.41 84.11 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.667 0.746 . . . . 0.0 110.864 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -38.93 7.2 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.634 2.223 . . . . 0.0 112.37 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -64.92 -32.29 73.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' MET . . . . . 0.475 ' HA ' ' CE ' ' A' ' 134' ' ' MET . 1.2 mmt -64.14 -46.05 85.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 62.9 m -63.66 -39.6 94.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.865 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.58 ' HA ' ' CH2' ' A' ' 116' ' ' TRP . 74.1 m -57.68 -58.21 9.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.097 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -62.92 -47.89 81.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -52.17 -47.56 65.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.579 ' CH2' ' HG2' ' A' ' 99' ' ' ARG . 72.4 t-105 -55.4 -52.72 62.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.947 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 67.8 mtt180 -48.3 -40.32 24.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 19.9 t30 -63.21 -47.11 83.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 139' ' ' TRP . 40.5 mt -52.77 -45.16 67.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.46 HD21 ' CE2' ' A' ' 139' ' ' TRP . 24.7 mt -57.93 -50.69 72.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 5.9 tppt? -48.42 -43.89 34.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -73.36 -44.62 58.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -50.57 -32.96 20.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp -75.17 -39.15 60.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 31.5 mtpt -93.39 27.97 2.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -70.02 -178.91 1.72 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.107 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 151' ' ' HIS . 12.4 pttm -37.51 -45.39 0.73 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.923 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 151' ' ' HIS . . . . . 0.44 ' C ' ' O ' ' A' ' 150' ' ' LYS . 5.3 m170 -35.27 140.47 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -48.83 -68.59 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -166.78 131.0 2.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.864 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.12 41.33 2.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 175.84 -140.88 5.36 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.515 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -79.16 -41.43 28.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.885 0.374 . . . . 0.0 110.899 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 66.34 -112.59 5.03 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.464 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 55.0 m 58.49 43.56 19.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.832 0.349 . . . . 0.0 110.822 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -82.02 -48.9 10.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.096 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -41.49 126.44 2.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.844 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 17.6 ttp -127.07 150.98 49.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 65.1 m -97.84 168.27 10.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 14.3 p90 -131.9 168.12 18.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -99.81 167.95 10.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.887 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -85.6 177.08 7.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.911 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.931 179.959 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 8.2 mptt . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.864 0.364 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 21.3 mtpt -101.82 79.68 1.94 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 18.6 ttm180 -155.88 120.83 4.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.834 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -83.03 100.91 10.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.076 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -89.46 85.76 6.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 55.6 m -107.82 141.54 39.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.151 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 22.6 m95 -83.95 145.55 28.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.578 HG22 ' OE1' ' A' ' 91' ' ' GLU . 25.0 m -102.24 151.57 5.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.075 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 88' ' ' VAL . 40.4 tt0 -37.1 -61.93 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -44.12 -70.02 0.12 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.578 ' OE1' HG22 ' A' ' 88' ' ' VAL . 46.8 mt-10 -42.13 -65.78 0.42 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.9 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 23.1 m -45.06 -37.84 4.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.158 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 43.2 mtt180 -76.49 -30.64 57.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.408 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 5.8 p -66.11 -38.34 87.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 37.9 tp -75.01 -47.81 27.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 53.7 mt -47.27 -52.31 5.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 57.6 mtp -65.13 -46.27 81.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.408 ' CD1' ' O ' ' A' ' 94' ' ' SER . 6.0 m-30 -51.54 -42.38 61.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.895 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.51 ' NH1' ' NE1' ' A' ' 139' ' ' TRP . 9.2 tpt180 -76.82 -39.63 50.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 59.8 mtp180 -61.82 -29.89 70.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -86.61 -32.5 15.53 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.55 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 44.8 mtp -82.61 -15.86 50.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.766 0.317 . . . . 0.0 110.856 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 104' ' ' GLY . 0.7 OUTLIER -38.19 -53.05 1.46 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 103' ' ' ASP . . . -35.97 -43.89 0.69 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.506 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 25.8 mt -65.59 -57.02 9.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.844 0.354 . . . . 0.0 110.912 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.463 ' CD2' HD13 ' A' ' 115' ' ' LEU . 70.3 m-85 -43.72 -39.39 3.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 44.3 m-20 -66.28 -43.18 87.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.646 HG23 ' O ' ' A' ' 108' ' ' THR . 8.4 t -124.19 85.36 2.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.8 m -157.15 141.35 16.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -5.2 5.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.9 m -168.99 -178.05 3.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.416 ' O ' ' N ' ' A' ' 115' ' ' LEU . 0.7 OUTLIER -132.21 -38.69 1.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 -179.934 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -42.05 -42.81 3.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.401 ' NE2' ' HG ' ' A' ' 115' ' ' LEU . 22.8 p-80 -64.03 -37.65 88.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.812 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.463 HD13 ' CD2' ' A' ' 106' ' ' PHE . 80.5 mt -61.17 -47.92 83.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 68.3 m95 -58.02 -42.51 85.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -59.09 -40.03 84.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -59.13 -55.26 37.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 51.6 mt -49.79 -42.75 18.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.116 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.9 t -54.41 -61.51 2.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.6 t -47.71 -44.03 27.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 123' ' ' MET . 60.3 mttm -60.19 -64.47 0.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' MET . . . . . 0.405 ' C ' ' O ' ' A' ' 122' ' ' LYS . 82.9 mmm -37.21 -38.27 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 70.5 mtt180 -64.77 -52.55 56.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.471 ' CG ' ' HE2' ' A' ' 126' ' ' LYS . 3.6 pt-20 -62.4 -25.81 68.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.471 ' HE2' ' CG ' ' A' ' 125' ' ' GLU . 15.4 mmtt -81.18 17.55 1.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 76.11 14.32 82.38 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.502 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -122.71 103.79 8.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.854 0.359 . . . . 0.0 110.835 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -87.67 102.3 14.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -142.28 144.09 33.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.0 m -68.64 160.57 76.27 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.648 0.737 . . . . 0.0 110.863 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -43.1 2.83 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.632 2.221 . . . . 0.0 112.336 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -61.37 -35.65 78.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.122 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 99.2 mmm -58.21 -51.58 69.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 69.6 m -58.39 -41.06 84.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 85.7 m -58.5 -62.19 2.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -60.61 -42.19 96.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 21.0 tptt -56.27 -46.63 79.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.547 ' NE1' HD11 ' A' ' 143' ' ' LEU . 45.2 t-105 -56.99 -49.92 74.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.949 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -52.06 -44.3 64.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.823 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -62.23 -38.35 88.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.558 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 32.5 mt -60.8 -35.51 76.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.547 HD11 ' NE1' ' A' ' 139' ' ' TRP . 15.8 mt -70.81 -38.23 73.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 20.1 mmtt -70.14 -39.47 75.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.952 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -77.61 -27.2 51.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.558 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 2.5 m-85 -71.32 -42.04 69.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 18.1 tptp -54.35 -49.36 69.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.953 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 46.1 mmtt -40.39 -53.01 2.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -53.06 173.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.088 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.24 178.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 6.1 m80 -81.96 132.77 35.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 48.4 m-70 -122.91 162.94 21.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -44.16 100.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 12.5 ptt-85 -111.5 164.64 12.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -98.94 139.38 14.42 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.508 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -81.47 -41.84 21.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.909 0.385 . . . . 0.0 110.904 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 86.19 154.14 23.84 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.453 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 14.1 m -149.16 168.01 24.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.87 0.367 . . . . 0.0 110.827 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -96.88 -56.91 2.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.061 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 8.5 tppt? 63.39 43.42 6.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 15.0 mtt 42.1 42.53 2.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.836 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 3.1 t -77.63 122.61 25.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.831 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -132.91 146.55 51.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.918 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 164' ' ' TYR . . . . . 0.549 ' C ' ' CD1' ' A' ' 164' ' ' TYR . 0.4 OUTLIER -91.06 157.06 17.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.937 -179.891 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 165' ' ' LYS . . . . . 0.426 ' HD3' ' N ' ' A' ' 166' ' ' GLU . 3.7 tmtp? -173.92 116.1 0.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.934 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 166' ' ' GLU . . . . . 0.426 ' N ' ' HD3' ' A' ' 165' ' ' LYS . 16.4 tp10 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.875 0.369 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -85.44 146.82 26.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.8 ptt180 -117.92 154.82 31.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -124.63 168.62 12.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.088 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -96.23 -34.31 11.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.921 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 6.7 p -75.6 -29.35 59.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.141 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 19.9 m95 -119.95 130.41 54.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.948 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.584 HG22 ' OE1' ' A' ' 91' ' ' GLU . 34.5 m -90.54 145.54 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.124 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.431 ' HG3' ' N ' ' A' ' 90' ' ' ASP . 17.7 pt20 -37.18 -50.77 0.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.431 ' N ' ' HG3' ' A' ' 89' ' ' GLN . 0.9 OUTLIER -49.92 -51.18 42.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.584 ' OE1' HG22 ' A' ' 88' ' ' VAL . 35.0 mt-10 -66.79 -67.74 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 91' ' ' GLU . 75.1 m -36.91 -53.16 0.95 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.148 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.5 ttt85 -56.83 -57.67 11.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 41.2 t -44.81 -39.39 5.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 16.6 tp -69.24 -62.31 1.43 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.926 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 66.8 mt -41.41 -53.0 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 60.8 mtp -57.36 -53.1 61.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.502 ' HB3' HG23 ' A' ' 119' ' ' ILE . 4.1 m-85 -49.65 -45.1 48.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.528 ' NH2' ' CD1' ' A' ' 106' ' ' PHE . 0.0 OUTLIER -66.9 -43.84 82.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 47.5 mtp180 -56.36 -40.57 74.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -69.63 -40.65 77.16 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.463 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.439 ' O ' ' C ' ' A' ' 103' ' ' ASP . 38.8 mmm -74.59 -14.91 60.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.789 0.328 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 102' ' ' MET . 6.9 t70 -35.45 -53.22 0.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.657 ' O ' HG22 ' A' ' 108' ' ' THR . . . -50.07 -52.7 25.79 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.492 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 28.8 mt -54.89 -51.39 66.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.817 0.341 . . . . 0.0 110.875 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.528 ' CD1' ' NH2' ' A' ' 99' ' ' ARG . 37.6 m-85 -51.75 -42.01 62.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -67.13 -53.91 26.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.657 HG22 ' O ' ' A' ' 104' ' ' GLY . 1.8 t -95.4 72.78 3.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.099 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 37.3 t -166.49 159.77 14.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.862 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.42 -38.73 11.29 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.921 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.5 p -117.19 162.47 17.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.41 ' O ' ' N ' ' A' ' 115' ' ' LEU . 2.8 p30 -125.95 -26.7 3.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.03 -47.41 3.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.898 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 40.9 p-80 -66.27 -35.66 80.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.489 HD13 ' CD1' ' A' ' 106' ' ' PHE . 27.1 mt -64.48 -34.36 78.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.419 ' CH2' ' HA ' ' A' ' 136' ' ' THR . 49.7 m95 -71.78 -60.97 1.96 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -46.03 -36.5 5.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -65.01 -60.11 3.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.502 HG23 ' HB3' ' A' ' 98' ' ' PHE . 88.8 mt -43.32 -46.28 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 77.4 p -59.61 -44.05 93.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 26.3 m -62.94 -42.34 99.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.822 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -58.44 -44.13 89.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.927 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 91.0 mtp -58.53 -58.25 9.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 69.8 mtt180 -45.56 -44.91 13.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -51.47 -41.56 60.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.896 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.404 ' HE2' ' N ' ' A' ' 126' ' ' LYS . 0.1 OUTLIER -72.55 -42.11 65.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.925 179.93 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 143.01 43.31 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.471 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -140.45 106.66 5.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.893 0.378 . . . . 0.0 110.864 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -90.81 95.3 10.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 31.6 mmt-85 -141.24 124.48 16.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.0 m -50.24 160.88 0.64 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.699 0.762 . . . . 0.0 110.828 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -40.28 5.47 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.679 2.253 . . . . 0.0 112.321 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -55.83 -40.91 73.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.089 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 76.3 mmm -55.36 -55.79 27.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 95.4 m -55.52 -31.68 62.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.419 ' HA ' ' CH2' ' A' ' 116' ' ' TRP . 97.9 m -67.04 -61.51 1.9 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.167 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -61.18 -49.28 77.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 15.6 tptm -52.34 -53.61 42.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.559 ' CZ2' HD21 ' A' ' 143' ' ' LEU . 65.6 t-105 -47.99 -56.96 6.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.926 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -46.96 -46.75 21.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.836 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -62.3 -41.36 98.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.589 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 30.9 mt -56.79 -34.98 68.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.559 HD21 ' CZ2' ' A' ' 139' ' ' TRP . 33.6 mt -69.84 -46.87 64.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.458 ' HE3' ' N ' ' A' ' 144' ' ' LYS . 0.5 OUTLIER -63.93 -39.97 95.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 179.829 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 145' ' ' GLU . . . . . 0.477 ' CG ' ' HA ' ' A' ' 142' ' ' LEU . 1.3 pp20? -75.95 -35.36 59.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.589 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 2.1 m-85 -60.37 -45.26 94.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.925 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 61.0 mttt -56.1 -43.02 77.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 2.6 tppt? -43.11 -49.26 6.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -45.29 118.54 1.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.116 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' LYS . . . . . 0.523 ' HE3' ' CD2' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -45.74 -42.56 12.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.902 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 151' ' ' HIS . . . . . 0.523 ' CD2' ' HE3' ' A' ' 150' ' ' LYS . 62.6 m-70 -79.96 98.71 7.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.827 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 152' ' ' HIS . . . . . 0.451 ' CD2' ' HB3' ' A' ' 154' ' ' ARG . 2.3 t60 -169.43 110.85 0.47 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.817 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -74.61 -48.36 26.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 154' ' ' ARG . . . . . 0.451 ' HB3' ' CD2' ' A' ' 152' ' ' HIS . 4.9 tmm_? -44.32 147.12 0.59 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 155' ' ' GLY . . . . . 0.449 ' N ' ' HD2' ' A' ' 154' ' ' ARG . . . 72.39 50.51 15.83 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.525 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -100.93 -40.97 7.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.861 0.363 . . . . 0.0 110.876 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 161.1 138.28 2.39 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 40.0 t -86.13 132.91 33.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.362 . . . . 0.0 110.892 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -69.62 -50.36 45.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.114 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 12.9 tppt? -65.41 130.24 42.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 26.4 ttp -76.26 158.11 31.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 70.2 m -102.08 165.47 11.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -51.25 -27.15 8.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 164' ' ' TYR . . . . . 0.402 ' CE1' ' HB3' ' A' ' 166' ' ' GLU . 0.3 OUTLIER -108.99 123.55 49.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 -179.928 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.43 36.8 0.6 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 166' ' ' GLU . . . . . 0.402 ' HB3' ' CE1' ' A' ' 164' ' ' TYR . 22.0 tt0 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.865 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 36.3 mtpt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.828 0.346 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.2 tppm? -163.57 146.27 9.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.4 tpp85 -120.61 46.07 2.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -115.07 94.55 4.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.096 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -93.39 42.06 1.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.901 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 27.9 p -76.94 -43.61 34.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.135 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.481 ' CE3' ' HB3' ' A' ' 91' ' ' GLU . 11.1 m95 -117.08 154.11 31.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.45 ' O ' ' C ' ' A' ' 89' ' ' GLN . 6.1 m -111.09 143.92 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.193 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 88' ' ' VAL . 9.3 pt20 -34.39 -52.58 0.49 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -46.25 -51.35 14.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.481 ' HB3' ' CE3' ' A' ' 87' ' ' TRP . 6.8 mm-40 -68.14 -63.08 1.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 53.8 m -40.14 -55.77 2.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -51.97 -61.89 1.97 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.875 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.5 t -47.91 -46.52 31.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.416 HD13 ' SG ' ' A' ' 135' ' ' CYS . 16.2 tp -56.18 -64.46 0.85 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.744 HG22 ' NE ' ' A' ' 100' ' ' ARG . 82.3 mt -40.14 -52.31 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.528 ' N ' HH21 ' A' ' 100' ' ' ARG . 9.2 tpt -50.41 -57.73 7.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.433 ' CE1' ' HB3' ' A' ' 122' ' ' LYS . 43.2 m-85 -47.39 -43.88 23.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.832 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.556 ' NH2' ' CZ2' ' A' ' 139' ' ' TRP . 4.4 mmm180 -66.02 -40.3 90.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.839 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.744 ' NE ' HG22 ' A' ' 96' ' ' ILE . 56.1 mtm180 -63.13 -55.52 24.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -59.49 -28.83 65.52 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.519 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.4 ' O ' ' C ' ' A' ' 103' ' ' ASP . 31.6 mtp -91.23 -17.04 26.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.761 0.315 . . . . 0.0 110.832 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.468 ' OD1' ' N ' ' A' ' 104' ' ' GLY . 0.3 OUTLIER -37.58 -44.88 0.71 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.847 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.468 ' N ' ' OD1' ' A' ' 103' ' ' ASP . . . -43.64 -46.01 7.17 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.458 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 23.7 mt -71.99 -35.68 69.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.841 0.353 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.633 ' CD1' HD13 ' A' ' 115' ' ' LEU . 32.5 m-85 -63.58 -44.22 94.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -54.91 -37.08 65.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.898 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.457 HG23 ' O ' ' A' ' 108' ' ' THR . 2.8 t -120.99 83.33 2.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.178 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 80.7 p -173.38 116.31 0.26 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.868 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 34.7 tttp -39.19 -55.08 1.71 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 4.0 m -130.36 145.17 51.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.522 ' O ' ' CD1' ' A' ' 116' ' ' TRP . 2.2 p30 -93.23 33.64 1.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 7.5 tppt? -68.89 -62.44 1.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 40.9 p-80 -56.89 -42.84 80.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.864 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.633 HD13 ' CD1' ' A' ' 106' ' ' PHE . 58.9 mt -57.17 -44.69 83.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.522 ' CD1' ' O ' ' A' ' 112' ' ' ASN . 7.4 m95 -57.09 -61.36 2.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.928 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 118' ' ' GLN . 8.0 pt-20 -51.22 -38.2 51.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.872 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.443 ' N ' ' HG3' ' A' ' 117' ' ' GLU . 16.6 mt-30 -60.48 -51.44 69.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 93.9 mt -51.99 -48.35 40.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 30.2 t -53.62 -49.45 67.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 40.4 t -57.47 -51.73 68.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.842 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.433 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 54.9 mttm -48.64 -54.74 13.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 27.3 mmm -46.86 -60.12 2.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.843 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.417 ' HD2' ' C ' ' A' ' 124' ' ' ARG . 1.3 tmm_? -50.25 -49.91 51.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.894 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -53.02 -39.63 63.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.47 ' HE2' ' N ' ' A' ' 126' ' ' LYS . 0.3 OUTLIER -74.33 -61.27 1.92 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.913 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 168.47 31.23 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.486 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.439 ' CD1' ' OE2' ' A' ' 91' ' ' GLU . 25.3 m-85 -139.63 108.88 6.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.836 0.35 . . . . 0.0 110.899 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -94.19 100.95 12.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -141.85 145.74 35.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.8 m -67.38 161.37 65.29 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.678 0.751 . . . . 0.0 110.878 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -37.68 8.88 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.689 2.259 . . . . 0.0 112.33 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 2.1 p -59.11 -48.29 82.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 7.7 mtp -47.62 -53.92 13.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' CYS . . . . . 0.416 ' SG ' HD13 ' A' ' 95' ' ' LEU . 96.4 m -57.74 -36.79 72.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.929 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.406 ' HA ' ' CH2' ' A' ' 116' ' ' TRP . 97.0 m -63.06 -55.36 26.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -65.82 -55.4 17.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.824 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 42.2 tptt -47.96 -50.27 27.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.654 ' CZ2' HD21 ' A' ' 143' ' ' LEU . 70.9 t-105 -52.5 -53.75 41.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 18.4 mtp85 -46.31 -45.08 17.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 -59.86 -50.3 74.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.499 HD13 HG12 ' A' ' 96' ' ' ILE . 48.3 mt -49.85 -46.96 51.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.928 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.654 HD21 ' CZ2' ' A' ' 139' ' ' TRP . 28.2 mt -56.82 -45.67 82.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.935 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 24.4 mmtm -53.7 -44.07 69.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -72.98 -45.12 59.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -50.74 -41.82 56.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 4.6 tppt? -44.36 -43.56 7.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.414 ' C ' ' HD2' ' A' ' 148' ' ' LYS . 0.1 OUTLIER -46.95 -52.32 14.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.916 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -77.63 178.75 7.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.113 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 150' ' ' LYS . . . . . 0.488 ' HG3' ' N ' ' A' ' 151' ' ' HIS . 9.3 ttmt -101.18 156.32 17.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.913 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 151' ' ' HIS . . . . . 0.488 ' N ' ' HG3' ' A' ' 150' ' ' LYS . 0.2 OUTLIER -148.83 171.61 16.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.884 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -50.24 137.03 18.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -67.4 120.91 14.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.869 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 37.0 ttp85 -101.77 39.7 1.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 67.05 -137.69 33.89 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.477 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -102.53 -41.8 6.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.905 0.383 . . . . 0.0 110.949 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 64.5 -161.69 38.53 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.465 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 58.3 p -56.12 123.69 15.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.844 0.354 . . . . 0.0 110.867 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -98.45 -58.58 1.93 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -76.78 88.47 3.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 3.5 ptp -123.99 129.63 51.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 2.7 t -174.98 160.23 2.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -131.51 -32.16 1.54 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.921 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 164' ' ' TYR . . . . . 0.558 ' CD2' ' HG2' ' A' ' 165' ' ' LYS . 30.8 t80 -74.64 171.66 13.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.911 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 165' ' ' LYS . . . . . 0.558 ' HG2' ' CD2' ' A' ' 164' ' ' TYR . 2.4 mmmp? 34.57 44.29 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.888 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 3.2 pp20? . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 179.933 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 15.8 pttm . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.87 0.367 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.54 130.92 56.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.887 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -115.73 102.89 10.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -170.46 145.33 2.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.074 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -79.34 83.22 5.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 61.3 m -161.92 137.77 7.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.128 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 24.5 m95 -76.54 123.56 26.25 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.486 HG22 ' OE2' ' A' ' 91' ' ' GLU . 12.8 m -85.53 151.02 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.146 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -39.38 -55.52 1.73 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -43.54 -68.42 0.2 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.486 ' OE2' HG22 ' A' ' 88' ' ' VAL . 42.4 mt-10 -48.9 -56.89 7.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 41.5 m -43.92 -53.31 6.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.094 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 -62.16 -38.47 89.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.834 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 10.3 p -61.84 -50.46 72.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.835 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 96' ' ' ILE . 18.3 tp -62.03 -64.32 0.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.924 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.415 ' C ' ' O ' ' A' ' 95' ' ' LEU . 71.5 mt -36.57 -59.41 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 59.7 mtp -48.02 -59.09 3.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.885 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -50.44 -44.76 55.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.622 ' NH2' ' CD2' ' A' ' 106' ' ' PHE . 0.0 OUTLIER -59.33 -59.01 6.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 -179.92 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.411 ' O ' ' CB ' ' A' ' 103' ' ' ASP . 77.4 mtp180 -50.82 -53.48 31.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -50.34 -38.09 33.22 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.497 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 60.2 mmm -81.29 -12.26 59.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.811 0.339 . . . . 0.0 110.874 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 106' ' ' PHE . 8.9 t70 -39.53 -58.29 1.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 103' ' ' ASP . . . -36.29 -37.82 0.22 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.471 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.454 ' HB3' HD21 ' A' ' 115' ' ' LEU . 47.0 mt -73.97 -42.07 61.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.896 0.379 . . . . 0.0 110.947 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.622 ' CD2' ' NH2' ' A' ' 99' ' ' ARG . 29.3 m-85 -60.8 -11.19 6.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -92.93 -54.04 3.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 8.3 t -67.97 -35.94 79.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.144 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 16.3 m -100.11 115.03 28.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 5.1 ttmt -51.07 -54.62 23.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 74.3 m -82.46 147.29 28.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.532 ' HB3' ' CD2' ' A' ' 106' ' ' PHE . 0.8 OUTLIER -120.92 31.32 6.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.4 -66.47 0.57 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.906 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.514 ' CE1' ' HG ' ' A' ' 115' ' ' LEU . 24.5 p-80 -55.67 -33.33 64.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.592 HD13 ' CD1' ' A' ' 106' ' ' PHE . 78.4 mt -63.7 -52.53 60.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.937 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.456 ' CD1' ' O ' ' A' ' 112' ' ' ASN . 16.2 m95 -55.26 -42.17 73.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -63.28 -34.09 76.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -68.59 -55.71 10.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 49.9 mt -48.44 -45.89 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.126 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 69.8 p -60.94 -59.37 5.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.2 t -46.13 -42.02 13.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.829 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -58.0 -56.3 23.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 81.6 mtp -44.79 -57.92 3.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 10.6 ttt85 -49.78 -39.63 38.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -66.12 -40.84 90.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.25 -24.26 63.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 130.82 0.69 5.19 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.478 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -114.97 105.92 13.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.823 0.344 . . . . 0.0 110.851 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -90.88 105.57 17.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 50.5 mmt-85 -141.91 126.75 18.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.4 p -50.02 155.28 1.63 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.697 0.76 . . . . 0.0 110.87 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -35.4 12.64 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.704 2.269 . . . . 0.0 112.369 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -61.59 -48.08 82.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.094 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 56.1 mmm -51.96 -43.51 63.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 41.6 m -63.63 -38.29 90.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 20.6 m -61.54 -55.27 32.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -64.37 -48.75 74.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.829 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 24.4 tptt -56.08 -39.22 71.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.572 ' CE3' ' HG3' ' A' ' 99' ' ' ARG . 66.6 t-105 -60.7 -51.73 68.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -51.54 -44.33 62.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.866 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -58.66 -41.51 86.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.463 HD12 ' HA ' ' A' ' 139' ' ' TRP . 65.4 mt -57.79 -43.3 85.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 20.5 mt -60.94 -41.19 95.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.968 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 2.5 mmmm -57.84 -51.71 68.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -65.66 -48.8 70.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -45.77 -37.26 5.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 9.0 ttmt -86.22 -33.74 20.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 33.5 mttp -93.41 23.62 4.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -81.97 -179.88 7.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.092 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -66.84 -43.06 84.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 55.8 m170 -42.03 -52.81 4.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 7.1 m80 -91.33 164.59 13.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.801 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -42.75 105.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.67 164.23 0.25 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -95.23 -179.35 36.97 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -107.83 16.3 23.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.877 0.37 . . . . 0.0 110.891 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -83.37 53.4 4.86 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.495 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 2.9 t -69.89 74.11 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.892 0.377 . . . . 0.0 110.891 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -95.72 -45.76 6.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.097 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.32 134.69 8.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 6.2 ptm -166.99 146.43 5.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.866 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 72.8 m -151.05 144.67 25.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -109.55 134.35 52.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.943 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 164' ' ' TYR . . . . . 0.439 ' O ' ' CG ' ' A' ' 164' ' ' TYR . 0.4 OUTLIER -76.08 -9.66 58.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.922 -179.911 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 165' ' ' LYS . . . . . 0.431 ' NZ ' ' HA ' ' A' ' 165' ' ' LYS . 0.0 OUTLIER -79.64 169.43 18.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 179.92 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.878 0.371 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.5 tppt? -133.02 -52.9 0.91 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 26.7 ttt180 -119.35 42.79 2.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.889 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -162.55 149.92 13.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.133 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -85.34 104.62 15.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 80.9 m -143.55 150.12 38.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.168 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.521 ' CZ3' HD22 ' A' ' 95' ' ' LEU . 22.7 m95 -61.24 129.8 43.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 22.3 m -89.63 158.51 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.112 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.466 ' HG3' ' N ' ' A' ' 90' ' ' ASP . 21.1 pt20 -45.3 -48.47 13.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.466 ' N ' ' HG3' ' A' ' 89' ' ' GLN . 2.4 m-20 -50.24 -68.0 0.21 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.479 ' HG2' ' CD1' ' A' ' 128' ' ' PHE . 47.4 mt-10 -54.88 -59.59 4.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 99.4 m -40.61 -54.73 2.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.114 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 4.9 tpp180 -53.81 -49.45 68.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.405 ' O ' ' CD2' ' A' ' 98' ' ' PHE . 1.5 m -57.69 -38.02 74.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.521 HD22 ' CZ3' ' A' ' 87' ' ' TRP . 38.8 tp -65.37 -45.64 83.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 77.5 mt -64.5 -44.93 96.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.165 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 7.0 tpt -57.29 -59.11 5.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.405 ' CD2' ' O ' ' A' ' 94' ' ' SER . 28.3 m-85 -49.24 -44.59 43.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.916 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.528 ' NH2' ' CZ2' ' A' ' 139' ' ' TRP . 4.1 mmm180 -60.61 -46.87 88.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 47.7 mtp180 -59.32 -42.66 91.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -70.59 -37.55 68.18 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.471 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 39.2 mtp -83.94 -11.72 56.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.815 0.34 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -39.45 -52.58 2.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -38.66 -53.35 2.39 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.503 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 40.7 mt -61.23 -43.86 98.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.868 0.366 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.535 ' CE2' ' HB2' ' A' ' 112' ' ' ASN . 36.5 m-85 -55.68 -39.0 70.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -66.77 -51.27 57.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.89 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 11.5 t -83.36 34.64 0.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.165 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 42.6 m -157.88 133.8 9.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 15.5 tptm -76.56 -59.96 2.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.9 t -91.84 111.05 22.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.564 ' O ' ' CD1' ' A' ' 116' ' ' TRP . 10.7 p30 -83.38 39.07 0.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 28.8 mmtm -67.88 -64.6 0.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 43.7 p-80 -58.0 -33.81 69.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.877 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.521 HD13 ' CD1' ' A' ' 106' ' ' PHE . 74.2 mt -64.59 -41.16 96.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.564 ' CD1' ' O ' ' A' ' 112' ' ' ASN . 10.8 m95 -61.57 -59.8 4.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 118' ' ' GLN . 12.6 pt-20 -51.74 -40.51 60.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.457 ' N ' ' HG3' ' A' ' 117' ' ' GLU . 25.7 mt-30 -57.17 -57.9 10.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 66.8 mt -47.62 -56.49 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 26.8 t -42.53 -52.79 4.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 12.6 t -55.23 -56.01 24.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.822 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 26.6 mtmt -44.54 -52.17 8.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.953 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 91.6 mtp -50.58 -63.85 0.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.432 ' HG2' ' CG ' ' A' ' 129' ' ' ASP . 1.8 tmm_? -41.85 -52.46 4.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -44.96 -41.79 7.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.93 -55.75 6.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 159.76 35.14 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.464 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.479 ' CD1' ' HG2' ' A' ' 91' ' ' GLU . 25.3 m-85 -139.04 105.17 5.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.868 0.366 . . . . 0.0 110.842 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.432 ' CG ' ' HG2' ' A' ' 124' ' ' ARG . 0.9 OUTLIER -91.45 89.88 7.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 11.6 mmt180 -127.51 133.66 49.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.8 m -55.5 159.51 4.67 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.658 0.742 . . . . 0.0 110.843 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -49.58 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.668 2.245 . . . . 0.0 112.352 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -53.29 -39.19 63.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.124 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 66.5 mmm -54.61 -50.09 68.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.854 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 43.1 m -58.13 -41.85 84.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.533 ' HA ' ' CH2' ' A' ' 116' ' ' TRP . 30.8 m -56.19 -64.39 0.88 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -57.76 -49.62 75.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.832 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' LYS . . . . . 0.516 ' HZ2' HD23 ' A' ' 95' ' ' LEU . 0.4 OUTLIER -49.39 -60.76 2.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.683 ' NE1' HD11 ' A' ' 143' ' ' LEU . 72.3 t-105 -43.38 -54.37 4.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -46.32 -43.55 15.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 28.1 t30 -60.39 -50.59 72.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.496 HD11 ' HZ3' ' A' ' 138' ' ' LYS . 35.5 mt -52.56 -46.98 67.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.683 HD11 ' NE1' ' A' ' 139' ' ' TRP . 46.6 mt -55.34 -45.16 76.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 43.9 tttt -53.9 -45.87 71.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -70.39 -45.97 64.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.904 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -47.96 -44.64 30.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 25.3 tttt -62.5 -41.47 98.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 4.6 tppt? -97.09 29.0 3.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.859 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' ALA . . . . . 0.427 ' O ' ' C ' ' A' ' 150' ' ' LYS . . . -62.87 179.26 0.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.072 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 150' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 149' ' ' ALA . 8.9 ptpp? 36.07 34.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 151' ' ' HIS . . . . . 0.418 ' N ' ' O ' ' A' ' 149' ' ' ALA . 10.9 m-70 -143.0 136.52 28.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 25.8 m80 -89.6 152.58 21.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.823 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -161.08 124.53 3.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -131.83 178.43 6.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 148.8 -39.96 0.93 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.468 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 13.0 p-10 -64.66 -41.31 96.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.886 0.374 . . . . 0.0 110.867 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 52.9 -125.2 29.75 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.496 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 57.9 m -122.42 75.23 1.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.888 0.375 . . . . 0.0 110.869 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 160' ' ' LYS . . . -101.2 -52.62 3.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.059 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 159' ' ' ALA . 16.2 mmtm -34.47 -62.23 0.35 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -119.41 156.16 30.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 4.6 m -153.91 165.64 35.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 163' ' ' TYR . . . . . 0.498 ' O ' ' N ' ' A' ' 165' ' ' LYS . 6.8 m-85 -85.06 -33.82 22.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.907 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 164' ' ' TYR . . . . . 0.443 ' CD2' ' O ' ' A' ' 164' ' ' TYR . 26.2 p90 35.46 31.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.926 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 165' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 163' ' ' TYR . 27.4 mmtt -144.47 155.55 43.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 179.929 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 31.8 pttt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.847 0.356 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 43.7 mttt -102.74 -60.42 1.55 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 75.6 mtt180 -127.77 135.02 49.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -40.4 137.46 1.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.111 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -60.16 97.23 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 5.7 m -107.15 -36.42 6.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -120.74 154.49 35.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.498 HG23 ' H ' ' A' ' 91' ' ' GLU . 33.5 m -111.12 158.25 11.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.142 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -56.98 -55.65 31.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.493 ' N ' ' OD1' ' A' ' 90' ' ' ASP . 2.4 p-10 -46.04 -69.97 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.558 ' HA ' ' CE2' ' A' ' 128' ' ' PHE . 8.5 pt-20 -52.58 -42.37 64.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.41 ' N ' ' CG ' ' A' ' 91' ' ' GLU . 4.5 m -54.35 -35.15 62.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.145 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 2.1 ttm105 -74.28 -39.3 63.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.451 ' O ' ' CD2' ' A' ' 98' ' ' PHE . 1.4 t -58.44 -42.33 87.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 14.9 tp -68.47 -63.33 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 68.1 mt -38.48 -56.64 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 6.8 ttp -54.52 -52.11 63.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.55 ' CE1' ' HD3' ' A' ' 122' ' ' LYS . 4.7 m-85 -47.52 -50.14 24.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.903 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.479 ' HD3' ' CZ3' ' A' ' 116' ' ' TRP . 3.8 mmm180 -56.57 -53.01 62.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.809 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -54.95 -46.45 75.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -64.2 -24.76 69.15 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.463 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 76.2 mtp -98.57 -6.67 29.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.757 0.313 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.475 ' OD1' ' N ' ' A' ' 104' ' ' GLY . 0.4 OUTLIER -45.42 -46.37 13.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.871 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.475 ' N ' ' OD1' ' A' ' 103' ' ' ASP . . . -45.01 -55.26 6.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.493 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.404 ' O ' ' CB ' ' A' ' 109' ' ' SER . 73.7 mt -49.46 -53.88 20.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.843 0.354 . . . . 0.0 110.894 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.647 ' CD1' HD13 ' A' ' 115' ' ' LEU . 73.2 m-85 -50.16 -25.37 3.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.909 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -88.79 -54.61 4.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.509 HG23 ' O ' ' A' ' 108' ' ' THR . 7.4 t -87.27 36.24 0.73 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.138 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.404 ' CB ' ' O ' ' A' ' 105' ' ' LEU . 7.7 t -149.18 154.86 39.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.05 18.78 21.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.2 t -145.48 148.96 33.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 115' ' ' LEU . 2.9 p30 -127.35 -38.58 1.94 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.848 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -39.85 -48.05 2.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.916 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.567 ' CE1' ' HG ' ' A' ' 115' ' ' LEU . 24.0 p-80 -63.69 -36.37 83.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.837 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.647 HD13 ' CD1' ' A' ' 106' ' ' PHE . 84.5 mt -67.16 -43.77 81.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.948 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.479 ' CZ3' ' HD3' ' A' ' 99' ' ' ARG . 8.5 m95 -58.92 -52.0 67.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.951 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -61.98 -30.06 70.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.12 -46.13 75.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 36.0 mt -61.19 -45.31 98.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 60.2 p -56.51 -47.18 79.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.807 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 23.4 t -59.01 -38.92 80.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.848 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.55 ' HD3' ' CE1' ' A' ' 98' ' ' PHE . 56.4 mttt -62.08 -58.42 7.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.897 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 54.1 mmm -44.32 -50.71 8.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 31.8 ttt180 -56.43 -48.52 76.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -61.82 -38.66 89.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -66.46 -45.52 79.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.937 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 158.33 -17.78 0.3 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.502 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.558 ' CE2' ' HA ' ' A' ' 91' ' ' GLU . 59.3 m-85 -101.58 108.61 20.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.855 0.359 . . . . 0.0 110.877 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -93.1 100.73 13.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -140.23 126.78 20.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.72 161.31 0.9 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.663 0.744 . . . . 0.0 110.879 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -26.63 27.61 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.689 2.259 . . . . 0.0 112.391 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -64.23 -45.05 89.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 2.7 mmt -59.73 -47.97 83.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 47.9 m -64.96 -32.38 74.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.825 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 52.4 m -65.71 -55.56 16.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -65.56 -51.17 61.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 24.3 tptt -50.2 -48.85 54.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.579 ' CE2' HD21 ' A' ' 143' ' ' LEU . 75.0 t-105 -54.45 -58.05 8.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -41.0 -50.05 3.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -57.16 -49.07 77.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.585 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 61.5 mt -51.97 -32.08 31.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.579 HD21 ' CE2' ' A' ' 139' ' ' TRP . 38.6 mt -72.07 -41.33 67.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.986 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -65.49 -32.91 74.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' GLU . . . . . 0.496 ' C ' ' CD ' ' A' ' 145' ' ' GLU . 1.8 pp20? -87.79 -25.43 23.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 146' ' ' PHE . . . . . 0.585 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 2.7 m-85 -72.93 -46.52 52.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.63 -60.93 2.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? -39.03 -45.55 1.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -50.04 124.54 10.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt -98.09 -43.92 6.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -75.95 140.34 42.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.818 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -70.16 105.06 2.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -138.26 113.19 9.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 43.5 ptt85 -174.72 124.73 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -63.58 177.86 7.37 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.518 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -96.96 -41.38 8.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.835 0.35 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 88.78 92.05 1.11 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.485 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 27.3 t -105.88 90.95 3.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.918 0.389 . . . . 0.0 110.839 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -65.13 -58.94 4.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.125 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 19.5 tptm 62.5 41.1 10.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 34.3 mmm -98.27 141.68 30.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 67.2 m -102.15 151.87 21.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 163' ' ' TYR . . . . . 0.401 ' CD1' ' O ' ' A' ' 165' ' ' LYS . 26.2 p90 -141.87 165.08 28.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 164' ' ' TYR . . . . . 0.453 ' CD1' ' HG3' ' A' ' 165' ' ' LYS . 1.8 p90 -118.76 -5.79 10.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.889 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 165' ' ' LYS . . . . . 0.453 ' HG3' ' CD1' ' A' ' 164' ' ' TYR . 0.0 OUTLIER -151.63 -175.05 5.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 179.907 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 179.968 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.473 ' CH2' ' HG3' ' A' ' 130' ' ' ARG . 29.8 m95 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.841 0.353 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.5 HG23 ' H ' ' A' ' 91' ' ' GLU . 5.5 m -98.59 162.08 2.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.12 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -52.09 -43.32 63.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -55.03 -61.37 2.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.844 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.5 ' H ' HG23 ' A' ' 88' ' ' VAL . 49.6 mt-10 -56.98 -54.38 47.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.509 HG22 ' CD1' ' A' ' 96' ' ' ILE . 25.5 m -48.44 -57.31 6.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.8 ttt180 -51.85 -49.56 62.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.8 t -55.98 -50.13 71.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.1 tp -59.11 -60.47 3.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.961 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.509 ' CD1' HG22 ' A' ' 92' ' ' THR . 64.1 mt -42.58 -57.51 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.115 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 48.5 ttm -48.65 -61.08 2.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -49.27 -38.61 27.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.523 ' HG2' ' CD2' ' A' ' 139' ' ' TRP . 10.0 tpt180 -74.89 -28.06 60.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.843 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 84.8 mtt180 -72.25 -41.31 66.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.829 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -76.59 -39.66 29.28 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.454 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.407 ' O ' ' C ' ' A' ' 103' ' ' ASP . 74.0 mtp -78.38 -17.65 56.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.727 0.299 . . . . 0.0 110.89 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 102' ' ' MET . 7.5 t70 -37.72 -50.81 1.23 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.845 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -46.27 -48.95 15.37 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.501 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.561 ' HB3' HD21 ' A' ' 115' ' ' LEU . 52.5 mt -51.08 -33.4 25.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.868 0.366 . . . . 0.0 110.925 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.71 ' CD1' HD13 ' A' ' 115' ' ' LEU . 52.7 m-85 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 26.1 mtmt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.837 0.351 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . 0.516 ' CE1' ' HG ' ' A' ' 115' ' ' LEU . 29.2 p-80 -63.83 -34.23 77.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.884 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.71 HD13 ' CD1' ' A' ' 106' ' ' PHE . 87.0 mt -69.34 -40.01 77.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.961 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.567 ' CH2' ' HA ' ' A' ' 136' ' ' THR . 29.3 m95 -60.72 -51.01 71.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 118' ' ' GLN . 10.4 pt-20 -57.43 -43.23 83.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.438 ' N ' ' HG3' ' A' ' 117' ' ' GLU . 56.4 mt-30 -56.95 -52.9 63.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 96.5 mt -50.9 -51.4 20.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.125 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.412 ' OG ' ' N ' ' A' ' 121' ' ' SER . 51.7 p -51.5 -63.8 1.02 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.412 ' N ' ' OG ' ' A' ' 120' ' ' SER . 2.6 m -41.05 -50.53 3.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.881 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 21.4 mttm -56.14 -47.98 77.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 44.0 mmm -54.47 -54.82 35.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.832 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 47.0 mtm180 -48.99 -43.15 39.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -58.3 -38.9 77.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.19 -32.08 73.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 131.32 2.54 4.53 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.484 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -104.49 111.66 24.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.877 0.37 . . . . 0.0 110.842 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -86.17 96.59 9.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.823 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.473 ' HG3' ' CH2' ' A' ' 87' ' ' TRP . 22.5 mmt180 -138.38 132.48 31.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.8 m -64.63 161.12 47.18 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.661 0.743 . . . . 0.0 110.868 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -38.27 8.02 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.68 2.253 . . . . 0.0 112.341 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -66.14 -35.32 80.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.175 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 32.4 mmm -62.43 -48.23 80.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 88.3 m -61.52 -40.09 93.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 0.567 ' HA ' ' CH2' ' A' ' 116' ' ' TRP . 23.7 m -58.4 -58.09 10.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.139 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -60.54 -45.27 94.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 43.1 tptt -55.85 -41.24 74.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . 0.789 ' CZ2' HD21 ' A' ' 143' ' ' LEU . 60.7 t-105 -60.29 -61.81 2.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -41.16 -43.71 2.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.83 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -63.96 -42.0 97.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 32.6 mt -59.32 -31.11 68.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.941 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.789 HD21 ' CZ2' ' A' ' 139' ' ' TRP . 20.3 mt -72.1 -45.36 60.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 8.5 tmtt? -61.59 -39.92 92.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.89 179.945 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 11.2 m95 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.849 0.357 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.708 HG23 ' H ' ' A' ' 91' ' ' GLU . 5.9 m -91.76 143.25 11.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -46.13 -26.49 0.77 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -71.7 -65.06 0.81 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.708 ' H ' HG23 ' A' ' 88' ' ' VAL . 25.6 mt-10 -56.76 -49.91 73.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.878 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 27.4 m -49.8 -54.75 17.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 50.9 ttt180 -55.85 -52.38 64.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.3 t -52.98 -50.96 63.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 21.5 tp -54.57 -62.1 1.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.924 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 70.1 mt -39.13 -59.59 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.12 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.47 -57.22 12.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -46.42 -43.79 16.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.508 ' HG2' ' CD2' ' A' ' 139' ' ' TRP . 43.9 tpt85 -68.8 -42.24 77.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 -58.94 -57.82 11.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -55.54 -39.06 73.18 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.51 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.436 ' O ' ' C ' ' A' ' 103' ' ' ASP . 65.0 mtp -76.93 -18.39 58.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.819 0.342 . . . . 0.0 110.893 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 102' ' ' MET . 7.3 t70 -35.61 -52.7 0.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 103' ' ' ASP . . . -37.03 -54.99 1.48 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.537 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 39.0 mt -54.7 -50.93 67.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.844 0.354 . . . . 0.0 110.93 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.634 ' CD1' HD13 ' A' ' 115' ' ' LEU . 62.7 m-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 6.5 mptt . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.802 0.334 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 52.7 p-80 -64.71 -34.02 77.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.634 HD13 ' CD1' ' A' ' 106' ' ' PHE . 83.9 mt -65.27 -49.56 69.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 11.4 m95 -54.82 -59.13 5.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 118' ' ' GLN . 10.6 pt-20 -52.29 -35.91 51.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.906 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.404 ' N ' ' HG3' ' A' ' 117' ' ' GLU . 26.7 mt-30 -61.7 -48.32 81.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 23.7 mt -58.05 -44.33 86.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 28.7 p -60.12 -48.33 82.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.2 m -62.4 -42.87 99.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.849 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 41.1 mttt -61.35 -54.1 48.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 33.3 mmm -48.9 -54.96 13.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 26.4 ttm-85 -48.09 -47.58 34.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -60.36 -42.76 96.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 9.5 mmpt? -63.39 -47.14 83.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 146.73 34.54 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.481 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.568 ' CD1' ' HG2' ' A' ' 91' ' ' GLU . 25.4 m-85 -139.28 106.4 5.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.352 . . . . 0.0 110.908 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -86.47 94.15 9.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -141.05 139.85 34.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 21.2 m -66.1 156.3 84.85 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.634 0.731 . . . . 0.0 110.857 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -45.32 1.65 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.67 2.246 . . . . 0.0 112.391 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 1.2 p -58.37 -29.76 66.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 41.9 mmm -65.18 -40.11 93.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 83.3 m -70.53 -35.35 73.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 98.1 m -62.31 -48.97 77.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.153 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -68.48 -49.99 55.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . 0.44 ' NZ ' HD11 ' A' ' 142' ' ' LEU . 26.0 tptp -53.05 -50.76 63.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . 0.508 ' CD2' ' HG2' ' A' ' 99' ' ' ARG . 74.7 t-105 -53.66 -51.69 62.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 31.1 mtt180 -46.91 -44.92 20.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -63.83 -38.41 91.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.44 HD11 ' NZ ' ' A' ' 138' ' ' LYS . 72.6 mt -60.92 -32.91 72.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.429 HD21 ' CE2' ' A' ' 139' ' ' TRP . 26.7 mt -70.81 -48.45 54.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -58.42 -42.52 87.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.992 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 23.1 m95 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.84 0.352 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.483 HG22 ' OE2' ' A' ' 91' ' ' GLU . 29.9 m -97.6 168.18 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.148 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.462 ' HG2' ' N ' ' A' ' 90' ' ' ASP . 5.4 pm0 -56.4 -32.44 64.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.462 ' N ' ' HG2' ' A' ' 89' ' ' GLN . 78.1 m-20 -67.76 -63.11 1.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.562 ' HG3' ' CD1' ' A' ' 128' ' ' PHE . 0.9 OUTLIER -56.03 -57.82 10.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.893 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 91.2 m -42.4 -51.95 4.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -61.33 -52.62 63.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.6 t -44.71 -44.79 9.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.854 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 24.9 tp -66.89 -60.28 2.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 68.3 mt -38.63 -52.53 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 91.7 mtp -55.33 -60.88 2.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.82 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.568 ' CD1' ' HE2' ' A' ' 122' ' ' LYS . 20.1 m-85 -47.69 -43.76 26.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.854 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.554 ' NH1' ' CD2' ' A' ' 106' ' ' PHE . 49.1 tpt85 -65.74 -40.42 92.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 45.5 mtt180 -65.86 -45.64 81.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -67.8 -36.17 86.56 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.475 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.429 ' O ' ' C ' ' A' ' 103' ' ' ASP . 44.7 mtp -82.96 -21.38 34.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.819 0.343 . . . . 0.0 110.91 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 102' ' ' MET . 25.0 t0 -36.27 -49.29 0.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.857 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -38.96 -51.06 2.65 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.514 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 21.9 mt -58.2 -59.84 4.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.875 0.369 . . . . 0.0 110.922 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.554 ' CD2' ' NH1' ' A' ' 99' ' ' ARG . 64.2 m-85 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.791 0.329 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . 0.561 ' CE1' ' HG ' ' A' ' 115' ' ' LEU . 35.5 p-80 -59.33 -45.41 91.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.836 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.561 ' HG ' ' CE1' ' A' ' 114' ' ' HIS . 81.4 mt -52.21 -48.8 64.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 36.9 m95 -56.61 -46.51 80.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -51.08 -42.34 60.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -61.36 -50.81 71.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 80.8 mt -51.4 -60.88 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 76.8 p -50.24 -53.39 28.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 47.1 t -49.61 -45.49 48.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.823 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.568 ' HE2' ' CD1' ' A' ' 98' ' ' PHE . 21.7 mtpt -58.53 -44.43 89.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 69.0 mmm -51.87 -59.83 3.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.86 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.466 ' CD ' ' HA ' ' A' ' 129' ' ' ASP . 4.2 mmm180 -48.4 -42.89 33.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.919 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -62.93 -45.89 90.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 7.4 mmpt? -63.22 -44.85 94.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 145.09 33.17 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.515 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.562 ' CD1' ' HG3' ' A' ' 91' ' ' GLU . 24.6 m-85 -138.27 107.32 6.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.855 0.359 . . . . 0.0 110.829 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.466 ' HA ' ' CD ' ' A' ' 124' ' ' ARG . 11.9 p-10 -86.57 95.58 9.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -139.26 142.8 37.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.823 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.8 m -67.29 161.15 66.8 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.626 0.727 . . . . 0.0 110.869 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -45.83 1.45 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.687 2.258 . . . . 0.0 112.349 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 10.2 p -58.51 -44.11 89.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 76.1 mmm -48.55 -44.04 36.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.857 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 72.3 m -67.59 -40.75 84.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.855 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 91.2 m -56.68 -55.02 39.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -63.0 -53.56 52.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -48.65 -54.15 15.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . 0.646 ' CZ2' HD21 ' A' ' 143' ' ' LEU . 70.1 t-105 -48.99 -52.26 25.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 11.0 mtp180 -48.78 -40.41 28.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.934 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -63.44 -46.23 87.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 51.5 mt -56.1 -44.55 79.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.646 HD21 ' CZ2' ' A' ' 139' ' ' TRP . 55.8 mt -56.6 -49.88 73.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 2.7 mmtp -50.74 -47.01 59.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.932 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 8.2 m95 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.841 0.353 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.578 HG23 ' H ' ' A' ' 91' ' ' GLU . 23.0 m -96.95 138.37 22.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.123 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 88' ' ' VAL . 29.1 pt20 -35.79 -45.16 0.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.926 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.411 ' N ' ' HG3' ' A' ' 89' ' ' GLN . 19.6 m-20 -51.6 -64.8 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.578 ' H ' HG23 ' A' ' 88' ' ' VAL . 62.1 mt-10 -57.27 -60.04 4.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 61.1 m -41.97 -57.08 2.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 7.1 ttm180 -56.76 -45.2 82.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.5 t -56.76 -52.23 65.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 96' ' ' ILE . 22.4 tp -56.19 -62.54 1.64 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.915 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.426 ' C ' ' O ' ' A' ' 95' ' ' LEU . 65.5 mt -36.03 -55.0 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.106 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 10.6 mtp -56.51 -52.1 66.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -52.58 -36.68 56.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.59 ' NH2' ' CZ2' ' A' ' 139' ' ' TRP . 3.6 mmm180 -70.66 -56.9 5.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.86 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -46.65 -47.84 20.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -63.78 -40.1 98.11 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.495 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 40.0 mmm -76.16 -21.02 57.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.772 0.32 . . . . 0.0 110.873 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 104' ' ' GLY . 22.5 t70 -38.03 -53.98 1.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 103' ' ' ASP . . . -35.89 -47.52 0.98 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.513 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 19.4 mt -64.09 -48.97 74.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.835 0.35 . . . . 0.0 110.949 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.613 ' CD1' HD13 ' A' ' 115' ' ' LEU . 75.2 m-85 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 25.2 mmtp . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.857 0.361 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . 0.465 ' CE1' ' HG ' ' A' ' 115' ' ' LEU . 20.7 p-80 -63.78 -42.42 97.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.807 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.613 HD13 ' CD1' ' A' ' 106' ' ' PHE . 72.0 mt -56.34 -44.08 79.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.477 ' CZ3' ' HD3' ' A' ' 99' ' ' ARG . 58.5 m95 -60.77 -48.33 82.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -54.41 -41.61 69.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.939 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -57.63 -55.99 27.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 51.1 mt -51.84 -53.39 17.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.118 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.9 t -49.14 -64.83 0.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 22.8 t -47.07 -41.99 17.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.862 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 123' ' ' MET . 33.1 mtpt -58.72 -66.06 0.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . 0.407 ' C ' ' O ' ' A' ' 122' ' ' LYS . 35.0 mmm -36.45 -58.02 0.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.411 ' HG3' ' CG ' ' A' ' 129' ' ' ASP . 32.0 ttp180 -47.22 -57.14 5.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -54.8 -42.98 72.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 20.6 mmtt -59.37 -41.63 89.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 155.3 -23.84 0.58 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.471 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.5 ' CD1' ' HG2' ' A' ' 91' ' ' GLU . 49.8 m-85 -98.97 103.58 15.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.855 0.36 . . . . 0.0 110.895 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.411 ' CG ' ' HG3' ' A' ' 124' ' ' ARG . 21.9 t0 -84.07 109.26 17.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -139.52 158.75 43.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.8 m -80.3 160.83 66.98 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.667 0.746 . . . . 0.0 110.868 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -36.09 11.38 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.638 2.225 . . . . 0.0 112.378 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 9.3 p -70.73 -43.39 68.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.134 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 97.7 mmm -51.52 -42.79 61.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 73.2 m -70.2 -42.37 72.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 89.2 m -58.09 -49.34 77.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -67.47 -51.39 51.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 25.8 tptt -51.82 -51.19 58.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . 0.59 ' CZ2' ' NH2' ' A' ' 99' ' ' ARG . 72.6 t-105 -52.67 -55.26 23.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 67.5 mtt-85 -44.66 -46.14 10.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 -59.0 -40.96 86.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.454 HD12 ' HA ' ' A' ' 139' ' ' TRP . 74.2 mt -60.3 -43.77 96.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.587 HD21 ' CE2' ' A' ' 139' ' ' TRP . 36.8 mt -60.42 -37.82 82.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.96 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.24 -46.68 85.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 179.955 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.425 ' HH2' ' HG ' ' A' ' 135' ' ' CYS . 30.9 m95 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.816 0.341 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.416 ' O ' ' C ' ' A' ' 89' ' ' GLN . 12.0 m -115.1 143.05 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.15 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 88' ' ' VAL . 11.8 tt0 -37.0 -42.74 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.941 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -52.35 -68.1 0.2 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.871 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.545 ' HG2' ' CD1' ' A' ' 128' ' ' PHE . 48.6 mt-10 -54.75 -59.48 4.66 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.7 m -40.0 -51.42 2.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.141 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 3.8 tmm_? -57.19 -56.78 17.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.4 t -50.45 -49.25 55.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 96' ' ' ILE . 20.7 tp -56.57 -67.37 0.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.432 ' C ' ' O ' ' A' ' 95' ' ' LEU . 85.8 mt -35.61 -53.49 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.149 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 24.6 ttm -59.51 -45.91 90.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 3.0 m-30 -55.25 -47.43 75.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.867 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.523 ' HG2' ' CE2' ' A' ' 139' ' ' TRP . 37.5 tpt85 -65.5 -40.82 93.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -62.1 -45.07 95.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -65.03 -44.25 94.63 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.494 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.422 ' CE ' HE21 ' A' ' 118' ' ' GLN . 64.9 mtp -81.07 -11.02 59.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.725 0.297 . . . . 0.0 110.838 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -39.63 -43.87 1.41 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.927 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -47.16 -45.71 20.78 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.46 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.408 ' HB3' HD21 ' A' ' 115' ' ' LEU . 39.5 mt -63.17 -47.08 84.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.85 0.357 . . . . 0.0 110.905 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.491 ' CD2' ' CZ ' ' A' ' 99' ' ' ARG . 49.4 m-85 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 52.6 mmtt . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.806 0.336 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 49.3 p-80 -54.56 -32.14 57.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.474 HD13 ' CD1' ' A' ' 106' ' ' PHE . 96.1 mt -64.85 -44.88 88.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 12.6 m95 -59.1 -51.46 69.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.47 -34.73 74.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.422 HE21 ' CE ' ' A' ' 102' ' ' MET . 13.2 tt0 -68.97 -45.64 70.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.922 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 69.6 mt -59.25 -42.88 88.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 63.6 p -59.27 -61.13 2.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 58.8 p -47.69 -49.26 28.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 28.9 mttm -50.67 -42.21 56.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 91.1 mtp -62.48 -41.15 98.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.864 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 17.0 mtm180 -57.21 -47.21 81.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -56.57 -32.54 65.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.476 ' N ' ' HE2' ' A' ' 126' ' ' LYS . 0.4 OUTLIER -77.73 -27.35 50.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.937 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 131.4 -11.34 5.52 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.488 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.545 ' CD1' ' HG2' ' A' ' 91' ' ' GLU . 24.0 m-85 -91.49 107.81 19.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.887 0.375 . . . . 0.0 110.889 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 5.9 p30 -96.53 92.97 6.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -133.51 133.38 42.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.9 m -53.7 161.23 1.69 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.684 0.754 . . . . 0.0 110.828 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -50.77 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.647 2.231 . . . . 0.0 112.33 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -56.46 -37.77 70.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 86.5 mmm -48.7 -58.4 4.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . 0.425 ' HG ' ' HH2' ' A' ' 87' ' ' TRP . 73.1 m -61.43 -33.47 73.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.896 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 40.0 m -61.38 -52.49 64.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.162 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -70.38 -46.71 63.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 39.8 tptt -59.89 -40.06 87.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . 0.782 ' CZ2' HD21 ' A' ' 143' ' ' LEU . 49.5 t-105 -60.19 -55.0 39.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.942 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 17.0 mtp180 -48.32 -45.5 35.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.896 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 17.2 t30 -61.26 -42.4 98.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 27.8 mt -55.77 -36.36 67.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.782 HD21 ' CZ2' ' A' ' 139' ' ' TRP . 17.9 mt -69.59 -42.07 74.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.938 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.06 -41.69 99.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.882 179.987 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.591 ' CD2' ' NH1' ' A' ' 130' ' ' ARG . 15.6 m95 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.803 0.335 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.446 HG23 ' H ' ' A' ' 91' ' ' GLU . 34.9 m -108.03 149.53 11.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 88' ' ' VAL . 13.2 tt0 -36.07 -55.25 0.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.97 -64.21 0.8 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.454 ' N ' ' OE1' ' A' ' 91' ' ' GLU . 1.4 mp0 -54.33 -61.64 2.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.931 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.615 HG22 ' CD1' ' A' ' 96' ' ' ILE . 89.6 m -39.81 -56.46 1.76 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.142 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -52.56 -44.58 65.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.436 ' O ' ' CD2' ' A' ' 98' ' ' PHE . 2.2 t -61.18 -52.6 64.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.865 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 12.9 tp -58.09 -46.58 85.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.615 ' CD1' HG22 ' A' ' 92' ' ' THR . 64.2 mt -56.63 -73.13 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.174 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 11.7 tpp -41.29 -49.98 3.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.436 ' CD2' ' O ' ' A' ' 94' ' ' SER . 3.4 m-85 -48.33 -52.99 19.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.864 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.443 ' NH1' ' OD1' ' A' ' 103' ' ' ASP . 0.1 OUTLIER -55.29 -58.04 9.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.87 -179.907 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.448 ' O ' ' CB ' ' A' ' 103' ' ' ASP . 13.7 mtm180 -44.84 -58.91 2.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.823 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -47.28 -43.38 19.13 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.529 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 77.9 mtp -79.87 -14.03 58.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.84 0.352 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.448 ' CB ' ' O ' ' A' ' 100' ' ' ARG . 22.3 t0 -41.07 -27.48 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -59.46 -43.92 97.1 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.475 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 18.0 mt -68.1 -42.68 79.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.854 0.359 . . . . 0.0 110.928 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.737 ' CD1' HD13 ' A' ' 115' ' ' LEU . 56.8 m-85 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 39.2 mmtm . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.778 0.323 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . 0.469 ' CG ' ' N ' ' A' ' 115' ' ' LEU . 36.7 p-80 -64.01 -46.29 85.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.853 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.737 HD13 ' CD1' ' A' ' 106' ' ' PHE . 41.7 mt -50.64 -41.22 54.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 48.4 m95 -64.59 -55.65 19.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -47.39 -37.07 10.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -64.06 -53.88 42.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 82.0 mt -48.39 -44.42 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 28.4 t -57.75 -57.23 13.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.808 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 59.7 p -45.82 -50.88 13.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 55.9 mttt -50.88 -55.08 18.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.901 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 34.8 mmm -46.15 -56.28 5.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 54.9 mtt180 -49.57 -38.25 30.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -65.03 -43.08 93.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.476 ' HE3' ' N ' ' A' ' 126' ' ' LYS . 0.1 OUTLIER -69.34 -52.74 24.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.911 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . 0.52 ' O ' ' CD1' ' A' ' 128' ' ' PHE . . . 154.89 34.27 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.498 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.52 ' CD1' ' O ' ' A' ' 127' ' ' GLY . 24.7 m-85 -142.83 105.87 4.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.92 0.391 . . . . 0.0 110.865 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.86 99.99 12.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.591 ' NH1' ' CD2' ' A' ' 87' ' ' TRP . 20.6 mmt85 -140.43 130.62 24.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.5 m -55.5 159.35 4.82 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.648 0.737 . . . . 0.0 110.882 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -45.14 1.66 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.697 2.265 . . . . 0.0 112.308 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -55.43 -42.06 73.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.182 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 61.7 mmm -58.5 -39.44 80.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 77.5 m -68.17 -37.34 80.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.845 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 15.7 m -60.65 -59.97 4.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.199 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -58.36 -45.99 87.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 21.7 tptt -49.02 -46.74 44.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . 0.792 ' NE1' HD21 ' A' ' 143' ' ' LEU . 62.1 t-105 -59.4 -54.93 41.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.976 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.28 -44.51 2.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -63.13 -48.1 79.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 28.4 mt -50.82 -42.66 58.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.792 HD21 ' NE1' ' A' ' 139' ' ' TRP . 18.3 mt -61.59 -49.73 75.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.72 -38.78 61.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.928 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.856 179.964 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 25.3 m95 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.869 0.366 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.545 HG22 ' CD ' ' A' ' 91' ' ' GLU . 35.7 m -110.51 176.85 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.464 ' HG2' ' N ' ' A' ' 90' ' ' ASP . 0.3 OUTLIER -64.31 -34.29 77.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.464 ' N ' ' HG2' ' A' ' 89' ' ' GLN . 74.3 m-20 -66.86 -62.76 1.28 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.545 ' CD ' HG22 ' A' ' 88' ' ' VAL . 1.2 mp0 -53.72 -56.65 15.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.55 HG22 ' CD1' ' A' ' 96' ' ' ILE . 96.9 m -46.03 -57.13 4.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.173 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.5 ttm180 -49.16 -58.5 4.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.404 ' O ' ' CD2' ' A' ' 98' ' ' PHE . 1.7 t -45.55 -50.62 12.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 96' ' ' ILE . 15.6 tp -62.16 -65.38 0.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.55 ' CD1' HG22 ' A' ' 92' ' ' THR . 98.1 mt -37.43 -47.98 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.12 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 48.4 mtp -63.82 -54.12 39.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.404 ' CD2' ' O ' ' A' ' 94' ' ' SER . 17.5 m-85 -49.02 -42.76 39.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.858 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.585 ' HG2' ' CH2' ' A' ' 139' ' ' TRP . 6.8 tpt180 -66.26 -42.14 88.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 62.8 mtp85 -59.0 -57.55 12.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -53.7 -44.71 69.5 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.555 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.435 ' O ' ' C ' ' A' ' 103' ' ' ASP . 66.4 mtp -73.0 -21.95 60.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.741 0.305 . . . . 0.0 110.877 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 102' ' ' MET . 26.3 t0 -35.39 -52.75 0.64 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 103' ' ' ASP . . . -37.65 -45.24 1.43 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.512 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 57.7 mt -64.41 -46.71 82.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.853 0.359 . . . . 0.0 110.9 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.577 ' CD1' HD13 ' A' ' 115' ' ' LEU . 69.9 m-85 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.906 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.774 0.321 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . 0.511 ' CE1' ' HG ' ' A' ' 115' ' ' LEU . 9.3 p-80 -63.89 -38.51 91.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.886 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.577 HD13 ' CD1' ' A' ' 106' ' ' PHE . 96.1 mt -62.97 -40.05 96.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 27.2 m95 -61.31 -58.75 7.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -52.34 -31.6 34.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -66.68 -48.02 70.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 96.2 mt -55.28 -50.42 64.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 60.3 p -54.79 -46.63 74.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 57.8 m -59.04 -49.29 78.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 28.2 mttm -54.91 -50.97 67.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 35.1 mmm -49.33 -53.84 20.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 3.5 mtp-105 -52.52 -38.53 59.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -62.88 -40.5 97.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.47 ' N ' ' HE2' ' A' ' 126' ' ' LYS . 0.6 OUTLIER -72.48 -40.84 66.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.911 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 142.11 38.84 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.474 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -143.17 110.07 5.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.833 0.349 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -96.15 94.23 7.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 17.2 mmt180 -135.16 132.69 38.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.1 m -52.91 160.43 1.49 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.673 0.749 . . . . 0.0 110.829 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -49.73 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.638 2.226 . . . . 0.0 112.325 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -57.43 -38.14 73.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.173 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 92.4 mmm -50.72 -50.41 55.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 97.5 m -67.9 -31.27 70.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 19.0 m -64.12 -48.95 74.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -71.71 -47.81 51.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 25.2 tptt -59.72 -40.55 88.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . 0.783 ' CZ2' HD21 ' A' ' 143' ' ' LEU . 45.8 t-105 -60.16 -54.91 40.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.929 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -48.87 -43.01 38.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -63.58 -42.2 98.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.495 HD13 HG12 ' A' ' 96' ' ' ILE . 29.8 mt -55.72 -35.39 66.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.783 HD21 ' CZ2' ' A' ' 139' ' ' TRP . 27.8 mt -69.3 -50.34 47.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.85 -41.18 73.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . 0.402 ' HG2' ' O ' ' A' ' 142' ' ' LEU . 13.1 pt-20 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 18.8 m95 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.824 0.345 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.417 ' O ' ' C ' ' A' ' 89' ' ' GLN . 21.4 m -104.2 155.7 5.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.139 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.446 ' NE2' ' HA ' ' A' ' 90' ' ' ASP . 1.6 tm0? -37.04 -53.92 0.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.9 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.446 ' HA ' ' NE2' ' A' ' 89' ' ' GLN . 8.0 m-20 -52.81 -69.94 0.1 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.845 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -41.98 -48.97 4.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 98.7 m -61.18 -37.57 83.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.151 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 -69.13 -45.98 68.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.845 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 t -59.97 -48.11 83.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 16.4 tp -55.5 -67.83 0.25 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 98.6 mt -37.71 -53.39 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 30.8 tpp -48.98 -60.37 2.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.513 ' CE1' ' HE2' ' A' ' 122' ' ' LYS . 39.2 m-85 -51.52 -40.93 60.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.858 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.561 ' HG2' ' CZ3' ' A' ' 139' ' ' TRP . 37.3 tpt85 -61.3 -36.2 79.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 27.4 mtt180 -72.67 -48.37 39.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -63.68 -20.94 64.53 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.519 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 45.1 mtp -102.69 -11.62 18.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.8 0.333 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 104' ' ' GLY . 0.4 OUTLIER -40.62 -43.26 1.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.813 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.421 ' N ' ' OD1' ' A' ' 103' ' ' ASP . . . -44.47 -42.43 7.24 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.461 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.472 ' HB3' HD21 ' A' ' 115' ' ' LEU . 38.5 mt -72.81 -35.63 67.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.786 0.327 . . . . 0.0 110.875 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.43 ' CZ ' ' HB3' ' A' ' 115' ' ' LEU . 72.5 m-85 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.787 0.327 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . 0.53 ' CE1' ' HG ' ' A' ' 115' ' ' LEU . 22.9 p-80 -51.29 -26.84 8.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.839 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.53 ' HG ' ' CE1' ' A' ' 114' ' ' HIS . 72.9 mt -71.25 -50.58 31.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 9.7 m95 -54.95 -52.3 63.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -61.67 -32.69 72.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -66.57 -46.38 76.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 83.2 mt -58.76 -46.65 90.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.109 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 26.4 p -54.82 -59.52 4.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.798 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 43.5 m -45.18 -51.84 10.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.852 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.513 ' HE2' ' CE1' ' A' ' 98' ' ' PHE . 30.5 mtpt -49.76 -67.29 0.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . 0.431 ' C ' ' O ' ' A' ' 122' ' ' LYS . 32.9 mmm -34.51 -54.48 0.53 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 14.7 ttt180 -50.39 -50.85 50.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -54.99 -39.96 69.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.96 -37.52 75.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 146.86 -10.49 1.4 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -99.3 103.52 15.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.83 0.348 . . . . 0.0 110.898 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' A' ' 129' ' ' ASP . 1.9 p30 -90.2 102.31 15.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 43.0 mmt-85 -141.33 145.98 36.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.4 m -69.9 160.39 80.4 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.671 0.748 . . . . 0.0 110.87 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 -41.17 4.56 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.672 2.248 . . . . 0.0 112.404 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.13 -37.38 74.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . 0.404 ' CE ' ' HA ' ' A' ' 134' ' ' MET . 1.7 mmt -58.63 -46.97 85.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 70.9 m -62.69 -38.42 90.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 78.5 m -62.45 -59.58 4.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.161 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -61.82 -46.34 89.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 35.5 tptt -56.47 -47.46 79.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . 0.594 ' HA ' HD12 ' A' ' 142' ' ' LEU . 71.3 t-105 -54.04 -49.5 68.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.941 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -51.52 -48.32 63.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -56.94 -43.51 81.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.594 HD12 ' HA ' ' A' ' 139' ' ' TRP . 45.8 mt -56.33 -42.27 77.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 34.1 mt -60.99 -44.66 97.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.34 -47.79 69.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.833 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 14.5 m95 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.802 0.334 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.8 m -97.15 165.99 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.17 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.405 ' HG3' ' N ' ' A' ' 90' ' ' ASP . 26.9 pt20 -54.46 -45.04 73.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.931 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.405 ' N ' ' HG3' ' A' ' 89' ' ' GLN . 68.2 m-20 -51.49 -65.68 0.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.471 ' HG2' ' CD1' ' A' ' 128' ' ' PHE . 73.5 mt-10 -59.18 -62.74 1.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 91' ' ' GLU . 85.3 m -36.88 -50.89 0.88 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.164 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.8 ttt85 -59.21 -51.28 70.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.3 t -54.23 -54.38 40.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.843 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 18.5 tp -51.6 -64.73 0.72 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 66.8 mt -42.69 -44.05 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 9.5 mmt -61.02 -59.16 5.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.876 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -46.76 -39.58 11.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.544 ' CB ' ' CZ3' ' A' ' 139' ' ' TRP . 4.0 mmm180 -68.13 -40.51 82.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 28.2 mtp85 -68.23 -42.21 80.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -66.98 -40.13 93.34 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.503 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 54.0 mtp -88.14 -8.94 54.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.772 0.32 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.27 -45.48 2.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -38.75 -45.8 2.1 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.476 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.439 HD13 ' CD2' ' A' ' 115' ' ' LEU . 60.1 mt -66.25 -49.84 65.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.884 0.373 . . . . 0.0 110.942 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.51 ' CD1' HD13 ' A' ' 115' ' ' LEU . 81.9 m-85 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.855 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 41.6 tttt . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.761 0.315 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 48.3 p-80 -58.19 -38.26 76.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.858 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.51 HD13 ' CD1' ' A' ' 106' ' ' PHE . 55.9 mt -62.58 -42.1 99.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.878 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 19.0 m95 -59.3 -57.58 12.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -52.21 -34.48 45.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -70.65 -56.47 6.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.959 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 67.6 mt -51.32 -58.26 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.159 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -52.21 -52.83 49.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 6.0 m -51.03 -49.82 59.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 29.8 mtpt -53.35 -46.79 69.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.914 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 36.2 mmm -51.55 -51.33 56.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 13.7 mtt-85 -54.25 -40.51 67.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -63.9 -40.15 95.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.476 ' N ' ' HE2' ' A' ' 126' ' ' LYS . 0.5 OUTLIER -69.49 -28.57 66.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.902 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 135.8 -10.3 4.25 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.474 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.471 ' CD1' ' HG2' ' A' ' 91' ' ' GLU . 22.8 m-85 -97.31 105.91 18.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.88 0.371 . . . . 0.0 110.879 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -95.21 97.66 10.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -135.38 133.76 39.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 6.7 m -51.24 152.48 4.14 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.628 0.728 . . . . 0.0 110.854 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -36.79 10.12 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.65 2.233 . . . . 0.0 112.39 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -63.36 -36.78 84.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 76.3 mmm -59.49 -47.77 84.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 47.7 m -61.65 -38.11 86.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 84.9 m -61.3 -61.14 2.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.171 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -61.53 -44.13 97.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 38.8 tptt -51.9 -47.15 64.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . 0.544 ' CZ3' ' CB ' ' A' ' 99' ' ' ARG . 64.8 t-105 -58.68 -53.28 60.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.922 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.99 -46.98 5.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 33.5 t30 -61.05 -45.65 93.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 40.2 mt -52.68 -35.93 56.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.446 HD21 ' NE1' ' A' ' 139' ' ' TRP . 33.4 mt -69.52 -44.86 70.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 25.1 tptp -61.14 -43.58 98.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.907 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.953 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.584 ' CZ2' ' HD3' ' A' ' 130' ' ' ARG . 14.5 m95 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.824 0.345 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.688 HG23 ' H ' ' A' ' 91' ' ' GLU . 34.7 m -104.11 138.04 30.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.164 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.454 ' HG3' ' N ' ' A' ' 90' ' ' ASP . 11.7 pt20 -34.07 -40.84 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.454 ' N ' ' HG3' ' A' ' 89' ' ' GLN . 3.4 m-20 -58.94 -62.56 1.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.688 ' H ' HG23 ' A' ' 88' ' ' VAL . 40.7 mt-10 -61.17 -47.01 88.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 66.6 m -53.77 -48.85 69.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 16.5 ttm-85 -67.44 -43.57 80.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.438 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 88.3 p -57.33 -35.29 69.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 23.1 tp -73.69 -60.82 2.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.947 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.428 HG22 ' HD2' ' A' ' 100' ' ' ARG . 62.0 mt -38.34 -47.5 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 86.0 mmm -64.73 -51.11 64.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.438 ' CD1' ' O ' ' A' ' 94' ' ' SER . 3.2 m-85 -49.75 -48.0 50.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.647 ' NH1' ' CZ ' ' A' ' 106' ' ' PHE . 6.0 mmm180 -60.88 -57.9 10.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.843 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.428 ' HD2' HG22 ' A' ' 96' ' ' ILE . 40.8 mtp85 -39.34 -44.13 1.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -71.18 -42.38 58.17 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.531 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.452 ' O ' ' C ' ' A' ' 103' ' ' ASP . 72.8 mmm -69.33 -22.61 63.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.807 0.336 . . . . 0.0 110.9 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 102' ' ' MET . 2.7 t0 -34.04 -46.95 0.25 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -54.97 -56.86 20.96 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.471 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.565 ' HB3' HD21 ' A' ' 115' ' ' LEU . 40.2 mt -49.18 -36.49 19.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.876 0.37 . . . . 0.0 110.927 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.647 ' CZ ' ' NH1' ' A' ' 99' ' ' ARG . 71.7 m-85 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 43.8 mmtt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.784 0.326 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . 0.557 ' CE1' ' HG ' ' A' ' 115' ' ' LEU . 16.8 p-80 -58.92 -37.5 76.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.565 HD21 ' HB3' ' A' ' 105' ' ' LEU . 88.1 mt -63.1 -42.69 99.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.909 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.579 ' CH2' ' HA ' ' A' ' 136' ' ' THR . 21.4 m95 -57.52 -58.89 6.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.949 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.456 ' HG3' ' N ' ' A' ' 118' ' ' GLN . 8.1 pt-20 -51.3 -35.47 37.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.456 ' N ' ' HG3' ' A' ' 117' ' ' GLU . 18.2 mt-30 -61.75 -43.59 98.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.883 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 80.9 mt -59.81 -50.96 78.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 13.7 t -55.06 -56.58 18.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.817 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 23.0 t -53.13 -45.43 68.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 44.8 mttm -60.34 -54.34 46.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 37.2 mmm -46.26 -57.16 4.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.842 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 24.0 ttp180 -48.35 -48.41 36.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -56.35 -43.1 78.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.856 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.435 ' N ' ' HE2' ' A' ' 126' ' ' LYS . 0.0 OUTLIER -67.48 -48.91 65.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 150.7 34.33 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.521 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.587 ' CD1' ' HG2' ' A' ' 91' ' ' GLU . 43.3 m-85 -142.15 105.13 4.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.866 0.365 . . . . 0.0 110.869 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -89.87 95.7 10.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.584 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 6.9 mmp_? -139.77 130.09 25.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 19.4 m -52.6 152.8 6.18 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.664 0.745 . . . . 0.0 110.824 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -34.69 14.07 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.704 2.269 . . . . 0.0 112.32 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 1.6 p -67.15 -39.3 86.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.179 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 72.5 mmm -57.38 -39.29 75.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 56.8 m -70.34 -40.48 74.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 0.579 ' HA ' ' CH2' ' A' ' 116' ' ' TRP . 52.7 m -56.29 -52.43 64.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.157 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -67.57 -44.04 79.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 44.9 tptt -56.96 -46.54 82.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 72.5 t-105 -57.69 -50.37 73.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 27.6 mtp180 -51.72 -45.0 63.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -58.63 -43.06 89.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 87.3 mt -58.18 -41.98 85.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 41.0 mt -60.68 -40.8 93.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.939 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.08 -51.93 65.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.945 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 42.5 m95 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.778 0.323 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.425 HG23 ' H ' ' A' ' 91' ' ' GLU . 5.8 m -106.31 143.81 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 88' ' ' VAL . 31.2 tt0 -36.77 -52.5 0.91 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.96 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -47.08 -67.84 0.24 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.468 ' HG2' ' CD1' ' A' ' 128' ' ' PHE . 48.0 mt-10 -52.59 -60.44 3.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.906 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 15.4 m -40.73 -49.35 3.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.133 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.6 -52.86 63.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.1 t -54.83 -42.88 72.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 14.2 tp -63.6 -63.29 1.22 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 69.2 mt -42.77 -44.77 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 6.5 tpt -63.32 -60.81 2.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -46.21 -43.68 15.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.635 ' NH1' ' CZ ' ' A' ' 106' ' ' PHE . 10.8 tpt180 -61.69 -42.86 99.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.864 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 28.1 mtt-85 -65.31 -54.17 32.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -56.55 -24.03 45.32 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.486 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 46.9 mtp -97.41 -12.93 22.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.78 0.324 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.412 ' OD1' ' C ' ' A' ' 103' ' ' ASP . 0.1 OUTLIER -40.77 -44.96 2.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.896 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.411 ' N ' ' OD1' ' A' ' 103' ' ' ASP . . . -37.76 -48.58 1.87 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.476 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.455 HD13 ' CD2' ' A' ' 115' ' ' LEU . 23.1 mt -63.82 -56.05 18.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.841 0.353 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.635 ' CZ ' ' NH1' ' A' ' 99' ' ' ARG . 79.5 m-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.76 0.314 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . 0.571 ' CE1' ' HG ' ' A' ' 115' ' ' LEU . 27.5 p-80 -60.45 -42.63 96.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.571 ' HG ' ' CE1' ' A' ' 114' ' ' HIS . 90.3 mt -56.48 -46.52 80.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.947 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.602 ' CZ2' ' NH1' ' A' ' 99' ' ' ARG . 77.6 m95 -57.41 -46.57 83.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.932 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -53.51 -41.38 66.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -61.5 -48.74 79.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.935 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 88.0 mt -57.37 -55.3 21.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 76.8 p -48.51 -53.41 18.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.824 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 31.2 t -51.99 -57.93 8.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 16.2 mttm -45.62 -63.74 0.89 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 34.4 mmm -39.71 -57.05 1.6 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 30.3 mtm180 -44.95 -42.59 8.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -69.01 -48.24 63.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.859 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.459 ' HD2' ' N ' ' A' ' 126' ' ' LYS . 7.6 mmmt -52.33 -39.34 60.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 136.02 30.01 0.33 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.508 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.468 ' CD1' ' HG2' ' A' ' 91' ' ' GLU . 27.8 m-85 -140.44 106.57 5.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.846 0.355 . . . . 0.0 110.909 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -87.83 103.67 15.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 10.2 mmp_? -142.07 130.6 22.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . 0.404 ' HB2' ' CG ' ' A' ' 134' ' ' MET . 6.4 m -50.65 156.49 1.56 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.635 0.731 . . . . 0.0 110.847 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -50.77 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.651 2.234 . . . . 0.0 112.333 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -56.52 -34.93 67.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.161 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . 0.404 ' CG ' ' HB2' ' A' ' 131' ' ' SER . 79.6 mmm -54.14 -54.93 32.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 99.6 m -60.29 -36.53 78.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.848 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 5.4 m -59.26 -54.71 43.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -66.21 -50.14 64.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 24.4 tptt -51.87 -43.89 63.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . 0.571 ' CH2' ' HG2' ' A' ' 99' ' ' ARG . 73.0 t-105 -58.5 -54.0 52.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 18.7 mtp85 -46.43 -44.07 16.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -63.58 -39.43 94.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 32.1 mt -60.59 -31.53 70.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.498 HD21 ' CE2' ' A' ' 139' ' ' TRP . 26.6 mt -74.73 -38.89 62.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 18.3 tptp -69.54 -28.05 65.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.896 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.947 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 20.2 m95 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.826 0.346 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.551 HG23 ' H ' ' A' ' 91' ' ' GLU . 32.6 m -73.34 157.57 6.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -50.62 -50.8 53.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.18 -66.44 0.39 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.551 ' H ' HG23 ' A' ' 88' ' ' VAL . 48.9 mt-10 -51.24 -59.39 4.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 59.8 m -42.35 -55.16 3.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.149 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -61.12 -44.59 97.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.821 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.52 ' O ' ' CD2' ' A' ' 98' ' ' PHE . 47.7 m -55.25 -45.29 76.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 96' ' ' ILE . 24.2 tp -63.21 -65.0 0.75 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.869 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.416 ' C ' ' O ' ' A' ' 95' ' ' LEU . 60.8 mt -36.68 -59.44 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 8.5 tpt -51.29 -57.21 9.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.52 ' CD2' ' O ' ' A' ' 94' ' ' SER . 13.0 m-85 -45.95 -41.59 11.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.547 ' HG2' ' CH2' ' A' ' 139' ' ' TRP . 36.7 tpt85 -66.88 -40.33 87.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.875 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 -57.24 -43.35 82.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -70.8 -42.24 61.58 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.513 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 72.6 mmm -70.14 -21.8 63.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.825 0.345 . . . . 0.0 110.926 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -40.96 -55.6 2.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.826 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -40.3 -47.82 3.62 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.492 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.476 ' HB3' HD21 ' A' ' 115' ' ' LEU . 54.0 mt -57.25 -54.68 44.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.883 0.373 . . . . 0.0 110.899 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.655 ' CD1' HD13 ' A' ' 115' ' ' LEU . 75.5 m-85 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 14.1 mmtm . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.835 0.35 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . 0.536 ' CE1' ' HG ' ' A' ' 115' ' ' LEU . 8.0 p-80 -61.36 -41.26 96.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.871 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.655 HD13 ' CD1' ' A' ' 106' ' ' PHE . 89.7 mt -59.77 -36.73 77.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.942 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 13.4 m95 -64.14 -57.27 10.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.935 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.418 ' CG ' ' O ' ' A' ' 114' ' ' HIS . 8.6 pt-20 -52.75 -29.39 26.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.855 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -70.13 -45.91 65.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.96 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 65.3 mt -57.68 -46.02 86.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 59.8 p -57.48 -54.04 51.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 64.8 m -49.42 -50.45 40.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 33.9 mttm -50.35 -60.72 2.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 39.6 mmm -42.22 -63.28 0.77 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.872 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.497 ' HD3' ' CB ' ' A' ' 129' ' ' ASP . 2.7 mmm180 -39.13 -45.57 1.32 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.813 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -65.37 -51.79 58.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.44 -46.41 73.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . 0.445 ' O ' ' CD1' ' A' ' 128' ' ' PHE . . . 144.11 32.58 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.498 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.527 ' CD1' ' HG2' ' A' ' 91' ' ' GLU . 31.1 m-85 -143.53 105.58 4.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.824 0.345 . . . . 0.0 110.855 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.497 ' CB ' ' HD3' ' A' ' 124' ' ' ARG . 15.0 p-10 -85.02 98.59 10.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.454 ' HA ' ' NE ' ' A' ' 130' ' ' ARG . 4.8 mmp_? -136.1 125.62 25.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.3 m -54.95 160.03 3.31 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.69 0.757 . . . . 0.0 110.866 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -50.88 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.669 2.246 . . . . 0.0 112.339 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 1.2 p -51.44 -45.57 62.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.183 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 98.1 mmm -50.97 -46.19 61.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 96.7 m -64.72 -39.63 93.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 86.4 m -59.32 -56.68 18.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.171 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -62.93 -56.04 20.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 25.5 tptt -47.83 -49.79 28.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . 0.547 ' CH2' ' HG2' ' A' ' 99' ' ' ARG . 68.9 t-105 -52.34 -55.13 23.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.927 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . 0.431 ' NH1' ' HB3' ' A' ' 140' ' ' ARG . 6.3 mtp-105 -47.2 -44.21 22.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.861 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -60.62 -41.85 95.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 51.0 mt -58.36 -33.9 70.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.94 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.465 HD21 ' CE2' ' A' ' 139' ' ' TRP . 23.5 mt -69.28 -44.52 71.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.86 -42.86 94.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.974 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 14.8 m95 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.868 0.366 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.44 HG23 ' H ' ' A' ' 91' ' ' GLU . 13.9 m -108.78 150.45 11.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.099 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -37.12 -53.56 1.01 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -48.92 -60.28 2.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.44 ' H ' HG23 ' A' ' 88' ' ' VAL . 53.6 mt-10 -63.37 -62.14 1.88 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.587 HG22 ' CD1' ' A' ' 96' ' ' ILE . 19.5 m -40.33 -56.1 2.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.137 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.87 -47.47 71.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.8 t -54.14 -49.72 68.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.8 tp -63.05 -62.35 1.77 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.587 ' CD1' HG22 ' A' ' 92' ' ' THR . 63.4 mt -39.71 -63.88 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.181 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 11.7 tpt -44.68 -59.18 2.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -47.22 -44.36 22.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.527 ' HG2' ' CE2' ' A' ' 139' ' ' TRP . 29.8 tpt85 -63.78 -51.23 65.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.847 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 57.1 mtp85 -47.46 -35.06 8.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -75.59 -48.63 10.17 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.491 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 69.4 mmm -69.45 -10.78 59.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.78 0.324 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 104' ' ' GLY . 5.0 t0 -43.82 -59.82 2.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 103' ' ' ASP . . . -35.86 -36.94 0.14 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.479 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.483 HD13 ' CD2' ' A' ' 115' ' ' LEU . 18.8 mt -72.77 -59.03 2.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.813 0.339 . . . . 0.0 110.912 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 179.91 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.806 0.336 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . 0.425 ' CE1' ' HG ' ' A' ' 115' ' ' LEU . 42.4 p-80 -51.41 -40.11 58.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.483 ' CD2' HD13 ' A' ' 105' ' ' LEU . 97.6 mt -56.05 -53.79 52.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.575 ' CZ2' ' HA ' ' A' ' 136' ' ' THR . 37.3 m95 -52.33 -47.47 66.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -50.62 -47.26 58.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.83 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -58.58 -58.25 9.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 79.3 mt -52.95 -62.63 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -46.12 -54.1 9.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 47.6 t -50.01 -57.01 8.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.804 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.403 ' O ' ' N ' ' A' ' 125' ' ' GLU . 35.6 mttt -47.64 -58.74 3.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.89 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 23.5 mmm -40.39 -56.48 2.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -53.63 -34.14 57.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.822 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 122' ' ' LYS . 33.2 mt-10 -71.45 -42.66 67.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.46 ' HD2' ' N ' ' A' ' 126' ' ' LYS . 6.8 mmmm -57.45 -52.94 63.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . 0.423 ' O ' ' CD1' ' A' ' 128' ' ' PHE . . . 153.37 33.69 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.423 ' CD1' ' O ' ' A' ' 127' ' ' GLY . 34.0 m-85 -143.69 106.5 4.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.909 0.385 . . . . 0.0 110.831 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -82.22 105.29 13.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.837 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 19.6 mmt180 -142.37 140.02 31.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 4.3 m -63.32 158.38 57.4 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.664 0.745 . . . . 0.0 110.872 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -50.65 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.64 2.227 . . . . 0.0 112.32 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 15.6 p -50.63 -42.75 56.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.177 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 80.9 mmm -50.28 -45.23 54.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 78.6 m -67.12 -36.41 81.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 0.575 ' HA ' ' CZ2' ' A' ' 116' ' ' TRP . 83.0 m -63.96 -53.68 46.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.103 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -70.51 -48.84 53.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.867 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 27.8 tptt -52.8 -43.43 65.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . 0.561 ' CE2' HD21 ' A' ' 143' ' ' LEU . 69.4 t-105 -61.37 -56.01 25.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 16.2 mtp180 -44.27 -42.48 6.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -61.59 -50.45 72.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 42.9 mt -47.19 -46.37 23.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.561 HD21 ' CE2' ' A' ' 139' ' ' TRP . 18.7 mt -58.79 -52.14 67.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 42.3 tttt -45.38 -45.45 12.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.985 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 14.1 m95 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.846 0.355 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.55 HG23 ' H ' ' A' ' 91' ' ' GLU . 34.5 m -113.12 154.65 14.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -42.86 -50.19 5.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.27 -63.93 0.98 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.55 ' H ' HG23 ' A' ' 88' ' ' VAL . 40.6 mt-10 -54.65 -62.16 1.84 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.484 HG22 HD11 ' A' ' 96' ' ' ILE . 62.3 m -39.51 -60.32 0.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.16 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.646 ' HA ' HD12 ' A' ' 96' ' ' ILE . 4.7 tpp85 -51.97 -52.55 49.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 15.7 t -45.37 -44.91 12.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.824 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 27.0 tp -69.13 -47.14 65.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.646 HD12 ' HA ' ' A' ' 93' ' ' ARG . 67.1 mt -49.94 -59.37 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.156 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.75 -60.76 2.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -46.33 -37.34 7.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.871 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.638 ' NH1' ' CE2' ' A' ' 106' ' ' PHE . 6.5 tpt180 -68.3 -52.92 28.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 76.7 mtp180 -44.69 -49.62 10.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -63.63 -41.36 99.1 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.472 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.419 ' O ' ' C ' ' A' ' 103' ' ' ASP . 65.9 mmm -70.03 -22.38 63.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.783 0.325 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 102' ' ' MET . 34.2 t70 -36.98 -61.35 0.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 103' ' ' ASP . . . -37.33 -44.16 1.12 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.502 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 16.2 mt -62.92 -56.29 18.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.798 0.332 . . . . 0.0 110.893 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.638 ' CE2' ' NH1' ' A' ' 99' ' ' ARG . 67.7 m-85 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 14.9 mtpt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.767 0.318 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . 0.405 ' O ' ' CG ' ' A' ' 117' ' ' GLU . 52.7 p-80 -62.7 -40.52 97.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 61.9 mt -59.19 -48.86 80.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.943 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.58 ' CH2' ' HA ' ' A' ' 136' ' ' THR . 8.8 m95 -54.92 -59.45 4.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.405 ' CG ' ' O ' ' A' ' 114' ' ' HIS . 12.0 pt-20 -51.92 -39.31 58.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -59.51 -55.93 28.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.927 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 74.0 mt -46.31 -50.06 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.099 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 13.5 t -52.25 -48.97 64.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.834 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 54.3 m -53.55 -45.59 69.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.842 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 14.7 mtmt -60.26 -33.05 71.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 68.2 mtp -69.79 -42.28 73.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.22 -48.73 77.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.835 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' A' ' 126' ' ' LYS . 6.8 pt-20 -61.31 -35.0 76.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.456 ' HA ' ' CE ' ' A' ' 126' ' ' LYS . 2.4 mmpt? -72.19 -41.28 67.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.929 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 137.72 36.26 0.17 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.469 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.421 ' CD1' ' HG2' ' A' ' 91' ' ' GLU . 34.9 m-85 -142.36 105.16 4.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.854 0.359 . . . . 0.0 110.868 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 15.2 p-10 -85.1 98.38 10.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -138.68 150.49 46.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 41.6 m -76.27 155.41 84.11 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.667 0.746 . . . . 0.0 110.864 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -38.93 7.2 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.634 2.223 . . . . 0.0 112.37 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -64.92 -32.29 73.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . 0.475 ' HA ' ' CE ' ' A' ' 134' ' ' MET . 1.2 mmt -64.14 -46.05 85.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 62.9 m -63.66 -39.6 94.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.865 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 0.58 ' HA ' ' CH2' ' A' ' 116' ' ' TRP . 74.1 m -57.68 -58.21 9.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.097 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -62.92 -47.89 81.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -52.17 -47.56 65.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . 0.579 ' CH2' ' HG2' ' A' ' 99' ' ' ARG . 72.4 t-105 -55.4 -52.72 62.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.947 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 67.8 mtt180 -48.3 -40.32 24.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 19.9 t30 -63.21 -47.11 83.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 139' ' ' TRP . 40.5 mt -52.77 -45.16 67.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.46 HD21 ' CE2' ' A' ' 139' ' ' TRP . 24.7 mt -57.93 -50.69 72.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 5.9 tppt? -48.42 -43.89 34.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 22.6 m95 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.824 0.345 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.578 HG22 ' OE1' ' A' ' 91' ' ' GLU . 25.0 m -102.24 151.57 5.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.075 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 88' ' ' VAL . 40.4 tt0 -37.1 -61.93 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -44.12 -70.02 0.12 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.578 ' OE1' HG22 ' A' ' 88' ' ' VAL . 46.8 mt-10 -42.13 -65.78 0.42 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.9 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 23.1 m -45.06 -37.84 4.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.158 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 43.2 mtt180 -76.49 -30.64 57.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.408 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 5.8 p -66.11 -38.34 87.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 37.9 tp -75.01 -47.81 27.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 53.7 mt -47.27 -52.31 5.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 57.6 mtp -65.13 -46.27 81.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.408 ' CD1' ' O ' ' A' ' 94' ' ' SER . 6.0 m-30 -51.54 -42.38 61.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.895 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.51 ' NH1' ' NE1' ' A' ' 139' ' ' TRP . 9.2 tpt180 -76.82 -39.63 50.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 59.8 mtp180 -61.82 -29.89 70.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -86.61 -32.5 15.53 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.55 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 44.8 mtp -82.61 -15.86 50.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.766 0.317 . . . . 0.0 110.856 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 104' ' ' GLY . 0.7 OUTLIER -38.19 -53.05 1.46 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 103' ' ' ASP . . . -35.97 -43.89 0.69 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.506 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 25.8 mt -65.59 -57.02 9.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.844 0.354 . . . . 0.0 110.912 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.463 ' CD2' HD13 ' A' ' 115' ' ' LEU . 70.3 m-85 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.815 0.34 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . 0.401 ' NE2' ' HG ' ' A' ' 115' ' ' LEU . 22.8 p-80 -64.03 -37.65 88.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.812 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.463 HD13 ' CD2' ' A' ' 106' ' ' PHE . 80.5 mt -61.17 -47.92 83.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 68.3 m95 -58.02 -42.51 85.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -59.09 -40.03 84.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -59.13 -55.26 37.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 51.6 mt -49.79 -42.75 18.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.116 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.9 t -54.41 -61.51 2.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.6 t -47.71 -44.03 27.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 123' ' ' MET . 60.3 mttm -60.19 -64.47 0.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . 0.405 ' C ' ' O ' ' A' ' 122' ' ' LYS . 82.9 mmm -37.21 -38.27 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 70.5 mtt180 -64.77 -52.55 56.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.471 ' CG ' ' HE2' ' A' ' 126' ' ' LYS . 3.6 pt-20 -62.4 -25.81 68.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.471 ' HE2' ' CG ' ' A' ' 125' ' ' GLU . 15.4 mmtt -81.18 17.55 1.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 76.11 14.32 82.38 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.502 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -122.71 103.79 8.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.854 0.359 . . . . 0.0 110.835 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -87.67 102.3 14.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -142.28 144.09 33.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.0 m -68.64 160.57 76.27 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.648 0.737 . . . . 0.0 110.863 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -43.1 2.83 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.632 2.221 . . . . 0.0 112.336 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -61.37 -35.65 78.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.122 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 99.2 mmm -58.21 -51.58 69.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 69.6 m -58.39 -41.06 84.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 85.7 m -58.5 -62.19 2.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -60.61 -42.19 96.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 21.0 tptt -56.27 -46.63 79.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . 0.547 ' NE1' HD11 ' A' ' 143' ' ' LEU . 45.2 t-105 -56.99 -49.92 74.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.949 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -52.06 -44.3 64.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.823 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -62.23 -38.35 88.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 32.5 mt -60.8 -35.51 76.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.547 HD11 ' NE1' ' A' ' 139' ' ' TRP . 15.8 mt -70.81 -38.23 73.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 20.1 mmtt -70.14 -39.47 75.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.952 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.94 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 19.9 m95 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.818 0.342 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.584 HG22 ' OE1' ' A' ' 91' ' ' GLU . 34.5 m -90.54 145.54 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.124 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.431 ' HG3' ' N ' ' A' ' 90' ' ' ASP . 17.7 pt20 -37.18 -50.77 0.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.431 ' N ' ' HG3' ' A' ' 89' ' ' GLN . 0.9 OUTLIER -49.92 -51.18 42.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.584 ' OE1' HG22 ' A' ' 88' ' ' VAL . 35.0 mt-10 -66.79 -67.74 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 91' ' ' GLU . 75.1 m -36.91 -53.16 0.95 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.148 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.5 ttt85 -56.83 -57.67 11.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 41.2 t -44.81 -39.39 5.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 16.6 tp -69.24 -62.31 1.43 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.926 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 66.8 mt -41.41 -53.0 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 60.8 mtp -57.36 -53.1 61.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.502 ' HB3' HG23 ' A' ' 119' ' ' ILE . 4.1 m-85 -49.65 -45.1 48.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.528 ' NH2' ' CD1' ' A' ' 106' ' ' PHE . 0.0 OUTLIER -66.9 -43.84 82.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 47.5 mtp180 -56.36 -40.57 74.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -69.63 -40.65 77.16 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.463 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.439 ' O ' ' C ' ' A' ' 103' ' ' ASP . 38.8 mmm -74.59 -14.91 60.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.789 0.328 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 102' ' ' MET . 6.9 t70 -35.45 -53.22 0.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -50.07 -52.7 25.79 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.492 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 28.8 mt -54.89 -51.39 66.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.817 0.341 . . . . 0.0 110.875 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.528 ' CD1' ' NH2' ' A' ' 99' ' ' ARG . 37.6 m-85 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.879 0.371 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 40.9 p-80 -66.27 -35.66 80.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.489 HD13 ' CD1' ' A' ' 106' ' ' PHE . 27.1 mt -64.48 -34.36 78.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.419 ' CH2' ' HA ' ' A' ' 136' ' ' THR . 49.7 m95 -71.78 -60.97 1.96 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -46.03 -36.5 5.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -65.01 -60.11 3.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.502 HG23 ' HB3' ' A' ' 98' ' ' PHE . 88.8 mt -43.32 -46.28 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 77.4 p -59.61 -44.05 93.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 26.3 m -62.94 -42.34 99.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.822 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -58.44 -44.13 89.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.927 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 91.0 mtp -58.53 -58.25 9.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 69.8 mtt180 -45.56 -44.91 13.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -51.47 -41.56 60.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.896 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.404 ' N ' ' HE2' ' A' ' 126' ' ' LYS . 0.1 OUTLIER -72.55 -42.11 65.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.925 179.93 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 143.01 43.31 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.471 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -140.45 106.66 5.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.893 0.378 . . . . 0.0 110.864 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -90.81 95.3 10.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 31.6 mmt-85 -141.24 124.48 16.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.0 m -50.24 160.88 0.64 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.699 0.762 . . . . 0.0 110.828 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -40.28 5.47 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.679 2.253 . . . . 0.0 112.321 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -55.83 -40.91 73.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.089 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 76.3 mmm -55.36 -55.79 27.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 95.4 m -55.52 -31.68 62.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 0.419 ' HA ' ' CH2' ' A' ' 116' ' ' TRP . 97.9 m -67.04 -61.51 1.9 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.167 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -61.18 -49.28 77.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 15.6 tptm -52.34 -53.61 42.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . 0.559 ' CZ2' HD21 ' A' ' 143' ' ' LEU . 65.6 t-105 -47.99 -56.96 6.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.926 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -46.96 -46.75 21.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.836 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -62.3 -41.36 98.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.477 ' HA ' ' CG ' ' A' ' 145' ' ' GLU . 30.9 mt -56.79 -34.98 68.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.559 HD21 ' CZ2' ' A' ' 139' ' ' TRP . 33.6 mt -69.84 -46.87 64.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.458 ' HE3' ' N ' ' A' ' 144' ' ' LYS . 0.5 OUTLIER -63.93 -39.97 95.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 179.829 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . 0.477 ' CG ' ' HA ' ' A' ' 142' ' ' LEU . 1.3 pp20? . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.481 ' CE3' ' HB3' ' A' ' 91' ' ' GLU . 11.1 m95 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.819 0.343 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.45 ' O ' ' C ' ' A' ' 89' ' ' GLN . 6.1 m -111.09 143.92 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.193 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 88' ' ' VAL . 9.3 pt20 -34.39 -52.58 0.49 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -46.25 -51.35 14.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.481 ' HB3' ' CE3' ' A' ' 87' ' ' TRP . 6.8 mm-40 -68.14 -63.08 1.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 53.8 m -40.14 -55.77 2.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -51.97 -61.89 1.97 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.875 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.5 t -47.91 -46.52 31.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.416 HD13 ' SG ' ' A' ' 135' ' ' CYS . 16.2 tp -56.18 -64.46 0.85 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.744 HG22 ' NE ' ' A' ' 100' ' ' ARG . 82.3 mt -40.14 -52.31 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.528 ' N ' HH21 ' A' ' 100' ' ' ARG . 9.2 tpt -50.41 -57.73 7.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.433 ' CE1' ' HB3' ' A' ' 122' ' ' LYS . 43.2 m-85 -47.39 -43.88 23.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.832 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.556 ' NH2' ' CZ2' ' A' ' 139' ' ' TRP . 4.4 mmm180 -66.02 -40.3 90.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.839 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.744 ' NE ' HG22 ' A' ' 96' ' ' ILE . 56.1 mtm180 -63.13 -55.52 24.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -59.49 -28.83 65.52 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.519 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.4 ' O ' ' C ' ' A' ' 103' ' ' ASP . 31.6 mtp -91.23 -17.04 26.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.761 0.315 . . . . 0.0 110.832 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.468 ' OD1' ' N ' ' A' ' 104' ' ' GLY . 0.3 OUTLIER -37.58 -44.88 0.71 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.847 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.468 ' N ' ' OD1' ' A' ' 103' ' ' ASP . . . -43.64 -46.01 7.17 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.458 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 23.7 mt -71.99 -35.68 69.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.841 0.353 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.633 ' CD1' HD13 ' A' ' 115' ' ' LEU . 32.5 m-85 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 7.5 tppt? . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.852 0.358 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 40.9 p-80 -56.89 -42.84 80.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.864 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.633 HD13 ' CD1' ' A' ' 106' ' ' PHE . 58.9 mt -57.17 -44.69 83.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.406 ' CH2' ' HA ' ' A' ' 136' ' ' THR . 7.4 m95 -57.09 -61.36 2.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.928 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 118' ' ' GLN . 8.0 pt-20 -51.22 -38.2 51.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.872 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.443 ' N ' ' HG3' ' A' ' 117' ' ' GLU . 16.6 mt-30 -60.48 -51.44 69.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 93.9 mt -51.99 -48.35 40.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 30.2 t -53.62 -49.45 67.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 40.4 t -57.47 -51.73 68.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.842 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.433 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 54.9 mttm -48.64 -54.74 13.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 27.3 mmm -46.86 -60.12 2.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.843 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.417 ' HD2' ' C ' ' A' ' 124' ' ' ARG . 1.3 tmm_? -50.25 -49.91 51.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.894 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -53.02 -39.63 63.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.47 ' HE2' ' N ' ' A' ' 126' ' ' LYS . 0.3 OUTLIER -74.33 -61.27 1.92 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.913 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 168.47 31.23 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.486 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.439 ' CD1' ' OE2' ' A' ' 91' ' ' GLU . 25.3 m-85 -139.63 108.88 6.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.836 0.35 . . . . 0.0 110.899 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -94.19 100.95 12.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -141.85 145.74 35.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.8 m -67.38 161.37 65.29 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.678 0.751 . . . . 0.0 110.878 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -37.68 8.88 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.689 2.259 . . . . 0.0 112.33 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 2.1 p -59.11 -48.29 82.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 7.7 mtp -47.62 -53.92 13.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . 0.416 ' SG ' HD13 ' A' ' 95' ' ' LEU . 96.4 m -57.74 -36.79 72.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.929 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 0.406 ' HA ' ' CH2' ' A' ' 116' ' ' TRP . 97.0 m -63.06 -55.36 26.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -65.82 -55.4 17.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.824 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 42.2 tptt -47.96 -50.27 27.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . 0.654 ' CZ2' HD21 ' A' ' 143' ' ' LEU . 70.9 t-105 -52.5 -53.75 41.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 18.4 mtp85 -46.31 -45.08 17.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 -59.86 -50.3 74.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.499 HD13 HG12 ' A' ' 96' ' ' ILE . 48.3 mt -49.85 -46.96 51.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.928 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.654 HD21 ' CZ2' ' A' ' 139' ' ' TRP . 28.2 mt -56.82 -45.67 82.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.935 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 24.4 mmtm -53.7 -44.07 69.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.97 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 24.5 m95 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.804 0.335 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.486 HG22 ' OE2' ' A' ' 91' ' ' GLU . 12.8 m -85.53 151.02 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.146 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -39.38 -55.52 1.73 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -43.54 -68.42 0.2 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.486 ' OE2' HG22 ' A' ' 88' ' ' VAL . 42.4 mt-10 -48.9 -56.89 7.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 41.5 m -43.92 -53.31 6.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.094 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 -62.16 -38.47 89.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.834 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 10.3 p -61.84 -50.46 72.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.835 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 96' ' ' ILE . 18.3 tp -62.03 -64.32 0.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.924 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.415 ' C ' ' O ' ' A' ' 95' ' ' LEU . 71.5 mt -36.57 -59.41 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 59.7 mtp -48.02 -59.09 3.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.885 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -50.44 -44.76 55.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.622 ' NH2' ' CD2' ' A' ' 106' ' ' PHE . 0.0 OUTLIER -59.33 -59.01 6.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 -179.92 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.411 ' O ' ' CB ' ' A' ' 103' ' ' ASP . 77.4 mtp180 -50.82 -53.48 31.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -50.34 -38.09 33.22 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.497 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 60.2 mmm -81.29 -12.26 59.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.811 0.339 . . . . 0.0 110.874 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 106' ' ' PHE . 8.9 t70 -39.53 -58.29 1.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 103' ' ' ASP . . . -36.29 -37.82 0.22 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.471 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.454 ' HB3' HD21 ' A' ' 115' ' ' LEU . 47.0 mt -73.97 -42.07 61.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.896 0.379 . . . . 0.0 110.947 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.622 ' CD2' ' NH2' ' A' ' 99' ' ' ARG . 29.3 m-85 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.808 0.337 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . 0.514 ' CE1' ' HG ' ' A' ' 115' ' ' LEU . 24.5 p-80 -55.67 -33.33 64.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.592 HD13 ' CD1' ' A' ' 106' ' ' PHE . 78.4 mt -63.7 -52.53 60.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.937 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 16.2 m95 -55.26 -42.17 73.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -63.28 -34.09 76.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -68.59 -55.71 10.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 49.9 mt -48.44 -45.89 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.126 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 69.8 p -60.94 -59.37 5.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.2 t -46.13 -42.02 13.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.829 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -58.0 -56.3 23.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 81.6 mtp -44.79 -57.92 3.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 10.6 ttt85 -49.78 -39.63 38.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -66.12 -40.84 90.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.25 -24.26 63.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 130.82 0.69 5.19 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.478 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -114.97 105.92 13.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.823 0.344 . . . . 0.0 110.851 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -90.88 105.57 17.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 50.5 mmt-85 -141.91 126.75 18.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.4 p -50.02 155.28 1.63 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.697 0.76 . . . . 0.0 110.87 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -35.4 12.64 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.704 2.269 . . . . 0.0 112.369 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -61.59 -48.08 82.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.094 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 56.1 mmm -51.96 -43.51 63.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 41.6 m -63.63 -38.29 90.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 20.6 m -61.54 -55.27 32.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -64.37 -48.75 74.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.829 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 24.4 tptt -56.08 -39.22 71.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . 0.572 ' CE3' ' HG3' ' A' ' 99' ' ' ARG . 66.6 t-105 -60.7 -51.73 68.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -51.54 -44.33 62.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.866 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -58.66 -41.51 86.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.463 HD12 ' HA ' ' A' ' 139' ' ' TRP . 65.4 mt -57.79 -43.3 85.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 20.5 mt -60.94 -41.19 95.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.968 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 2.5 mmmm -57.84 -51.71 68.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 179.96 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . 0.521 ' CZ3' HD22 ' A' ' 95' ' ' LEU . 22.7 m95 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.817 0.341 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 22.3 m -89.63 158.51 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.112 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.466 ' HG3' ' N ' ' A' ' 90' ' ' ASP . 21.1 pt20 -45.3 -48.47 13.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.466 ' N ' ' HG3' ' A' ' 89' ' ' GLN . 2.4 m-20 -50.24 -68.0 0.21 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.479 ' HG2' ' CD1' ' A' ' 128' ' ' PHE . 47.4 mt-10 -54.88 -59.59 4.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 99.4 m -40.61 -54.73 2.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.114 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 4.9 tpp180 -53.81 -49.45 68.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.405 ' O ' ' CD2' ' A' ' 98' ' ' PHE . 1.5 m -57.69 -38.02 74.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.521 HD22 ' CZ3' ' A' ' 87' ' ' TRP . 38.8 tp -65.37 -45.64 83.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 77.5 mt -64.5 -44.93 96.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.165 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 7.0 tpt -57.29 -59.11 5.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.405 ' CD2' ' O ' ' A' ' 94' ' ' SER . 28.3 m-85 -49.24 -44.59 43.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.916 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.528 ' NH2' ' CZ2' ' A' ' 139' ' ' TRP . 4.1 mmm180 -60.61 -46.87 88.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 47.7 mtp180 -59.32 -42.66 91.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -70.59 -37.55 68.18 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.471 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 39.2 mtp -83.94 -11.72 56.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.815 0.34 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -39.45 -52.58 2.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -38.66 -53.35 2.39 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.503 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 40.7 mt -61.23 -43.86 98.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.868 0.366 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.521 ' CD1' HD13 ' A' ' 115' ' ' LEU . 36.5 m-85 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 28.8 mmtm . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.826 0.346 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 43.7 p-80 -58.0 -33.81 69.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.877 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.521 HD13 ' CD1' ' A' ' 106' ' ' PHE . 74.2 mt -64.59 -41.16 96.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.533 ' CH2' ' HA ' ' A' ' 136' ' ' THR . 10.8 m95 -61.57 -59.8 4.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 118' ' ' GLN . 12.6 pt-20 -51.74 -40.51 60.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.457 ' N ' ' HG3' ' A' ' 117' ' ' GLU . 25.7 mt-30 -57.17 -57.9 10.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 66.8 mt -47.62 -56.49 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 26.8 t -42.53 -52.79 4.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 12.6 t -55.23 -56.01 24.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.822 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 26.6 mtmt -44.54 -52.17 8.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.953 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 91.6 mtp -50.58 -63.85 0.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.432 ' HG2' ' CG ' ' A' ' 129' ' ' ASP . 1.8 tmm_? -41.85 -52.46 4.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -44.96 -41.79 7.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.93 -55.75 6.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 159.76 35.14 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.464 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.479 ' CD1' ' HG2' ' A' ' 91' ' ' GLU . 25.3 m-85 -139.04 105.17 5.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.868 0.366 . . . . 0.0 110.842 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.432 ' CG ' ' HG2' ' A' ' 124' ' ' ARG . 0.9 OUTLIER -91.45 89.88 7.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 11.6 mmt180 -127.51 133.66 49.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.8 m -55.5 159.51 4.67 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.658 0.742 . . . . 0.0 110.843 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -49.58 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.668 2.245 . . . . 0.0 112.352 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -53.29 -39.19 63.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.124 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 66.5 mmm -54.61 -50.09 68.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.854 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 43.1 m -58.13 -41.85 84.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 0.533 ' HA ' ' CH2' ' A' ' 116' ' ' TRP . 30.8 m -56.19 -64.39 0.88 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -57.76 -49.62 75.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.832 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . 0.516 ' HZ2' HD23 ' A' ' 95' ' ' LEU . 0.4 OUTLIER -49.39 -60.76 2.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . 0.683 ' NE1' HD11 ' A' ' 143' ' ' LEU . 72.3 t-105 -43.38 -54.37 4.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -46.32 -43.55 15.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 28.1 t30 -60.39 -50.59 72.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.496 HD11 ' HZ3' ' A' ' 138' ' ' LYS . 35.5 mt -52.56 -46.98 67.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.683 HD11 ' NE1' ' A' ' 139' ' ' TRP . 46.6 mt -55.34 -45.16 76.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 43.9 tttt -53.9 -45.87 71.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.904 179.955 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 23.7 m95 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.866 0.365 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.498 HG23 ' H ' ' A' ' 91' ' ' GLU . 33.5 m -111.12 158.25 11.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.142 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -56.98 -55.65 31.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.493 ' N ' ' OD1' ' A' ' 90' ' ' ASP . 2.4 p-10 -46.04 -69.97 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.558 ' HA ' ' CE2' ' A' ' 128' ' ' PHE . 8.5 pt-20 -52.58 -42.37 64.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.41 ' N ' ' CG ' ' A' ' 91' ' ' GLU . 4.5 m -54.35 -35.15 62.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.145 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 2.1 ttm105 -74.28 -39.3 63.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.451 ' O ' ' CD2' ' A' ' 98' ' ' PHE . 1.4 t -58.44 -42.33 87.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 14.9 tp -68.47 -63.33 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 68.1 mt -38.48 -56.64 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 6.8 ttp -54.52 -52.11 63.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.55 ' CE1' ' HD3' ' A' ' 122' ' ' LYS . 4.7 m-85 -47.52 -50.14 24.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.903 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.479 ' HD3' ' CZ3' ' A' ' 116' ' ' TRP . 3.8 mmm180 -56.57 -53.01 62.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.809 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -54.95 -46.45 75.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -64.2 -24.76 69.15 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.463 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 76.2 mtp -98.57 -6.67 29.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.757 0.313 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.475 ' OD1' ' N ' ' A' ' 104' ' ' GLY . 0.4 OUTLIER -45.42 -46.37 13.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.871 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.475 ' N ' ' OD1' ' A' ' 103' ' ' ASP . . . -45.01 -55.26 6.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.493 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 73.7 mt -49.46 -53.88 20.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.843 0.354 . . . . 0.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.647 ' CD1' HD13 ' A' ' 115' ' ' LEU . 73.2 m-85 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.83 0.347 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . 0.567 ' CE1' ' HG ' ' A' ' 115' ' ' LEU . 24.0 p-80 -63.69 -36.37 83.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.837 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.647 HD13 ' CD1' ' A' ' 106' ' ' PHE . 84.5 mt -67.16 -43.77 81.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.948 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.479 ' CZ3' ' HD3' ' A' ' 99' ' ' ARG . 8.5 m95 -58.92 -52.0 67.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.951 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -61.98 -30.06 70.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.12 -46.13 75.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 36.0 mt -61.19 -45.31 98.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 60.2 p -56.51 -47.18 79.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.807 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 23.4 t -59.01 -38.92 80.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.848 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.55 ' HD3' ' CE1' ' A' ' 98' ' ' PHE . 56.4 mttt -62.08 -58.42 7.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.897 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 54.1 mmm -44.32 -50.71 8.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 31.8 ttt180 -56.43 -48.52 76.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -61.82 -38.66 89.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -66.46 -45.52 79.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.937 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 158.33 -17.78 0.3 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.502 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.558 ' CE2' ' HA ' ' A' ' 91' ' ' GLU . 59.3 m-85 -101.58 108.61 20.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.855 0.359 . . . . 0.0 110.877 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -93.1 100.73 13.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -140.23 126.78 20.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.72 161.31 0.9 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.663 0.744 . . . . 0.0 110.879 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -26.63 27.61 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.689 2.259 . . . . 0.0 112.391 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -64.23 -45.05 89.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 2.7 mmt -59.73 -47.97 83.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 47.9 m -64.96 -32.38 74.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.825 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 52.4 m -65.71 -55.56 16.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -65.56 -51.17 61.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 24.3 tptt -50.2 -48.85 54.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . 0.579 ' CE2' HD21 ' A' ' 143' ' ' LEU . 75.0 t-105 -54.45 -58.05 8.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -41.0 -50.05 3.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -57.16 -49.07 77.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 61.5 mt -51.97 -32.08 31.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.579 HD21 ' CE2' ' A' ' 139' ' ' TRP . 38.6 mt -72.07 -41.33 67.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.986 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -65.49 -32.91 74.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . 0.496 ' C ' ' CD ' ' A' ' 145' ' ' GLU . 1.8 pp20? . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.815 0.34 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.3 ptpp? -126.97 153.48 45.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.3 mtt85 -158.34 107.51 2.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -109.18 -12.67 14.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.091 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 48.26 41.61 16.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.474 HG22 ' CD1' ' A' ' 87' ' ' TRP . 56.2 m -118.42 -54.9 2.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.18 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.474 ' CD1' HG22 ' A' ' 86' ' ' THR . 29.8 m95 -109.33 142.39 40.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.928 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.5 HG23 ' H ' ' A' ' 91' ' ' GLU . 5.5 m -98.59 162.08 2.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.12 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -52.09 -43.32 63.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -55.03 -61.37 2.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.844 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.5 ' H ' HG23 ' A' ' 88' ' ' VAL . 49.6 mt-10 -56.98 -54.38 47.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.509 HG22 ' CD1' ' A' ' 96' ' ' ILE . 25.5 m -48.44 -57.31 6.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.8 ttt180 -51.85 -49.56 62.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.8 t -55.98 -50.13 71.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.1 tp -59.11 -60.47 3.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.961 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.509 ' CD1' HG22 ' A' ' 92' ' ' THR . 64.1 mt -42.58 -57.51 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.115 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 48.5 ttm -48.65 -61.08 2.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -49.27 -38.61 27.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.523 ' HG2' ' CD2' ' A' ' 139' ' ' TRP . 10.0 tpt180 -74.89 -28.06 60.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.843 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 84.8 mtt180 -72.25 -41.31 66.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.829 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -76.59 -39.66 29.28 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.454 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.407 ' O ' ' C ' ' A' ' 103' ' ' ASP . 74.0 mtp -78.38 -17.65 56.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.727 0.299 . . . . 0.0 110.89 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 102' ' ' MET . 7.5 t70 -37.72 -50.81 1.23 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.845 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -46.27 -48.95 15.37 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.501 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.561 ' HB3' HD21 ' A' ' 115' ' ' LEU . 52.5 mt -51.08 -33.4 25.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.868 0.366 . . . . 0.0 110.925 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.71 ' CD1' HD13 ' A' ' 115' ' ' LEU . 52.7 m-85 -72.81 -32.64 65.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -77.58 -46.12 23.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.467 HG23 ' N ' ' A' ' 109' ' ' SER . 9.2 t -73.18 -43.49 61.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.148 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.467 ' N ' HG23 ' A' ' 108' ' ' THR . 1.3 t -98.84 125.99 44.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.821 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.32 -58.84 6.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.922 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 57.7 p -60.64 142.86 55.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' ' 115' ' ' LEU . 1.9 p30 -123.52 -28.43 3.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 26.1 mtmt -40.5 -48.18 2.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.516 ' CE1' ' HG ' ' A' ' 115' ' ' LEU . 29.2 p-80 -63.83 -34.23 77.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.884 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.71 HD13 ' CD1' ' A' ' 106' ' ' PHE . 87.0 mt -69.34 -40.01 77.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.961 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.567 ' CH2' ' HA ' ' A' ' 136' ' ' THR . 29.3 m95 -60.72 -51.01 71.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 118' ' ' GLN . 10.4 pt-20 -57.43 -43.23 83.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.438 ' N ' ' HG3' ' A' ' 117' ' ' GLU . 56.4 mt-30 -56.95 -52.9 63.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 96.5 mt -50.9 -51.4 20.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.125 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.412 ' OG ' ' N ' ' A' ' 121' ' ' SER . 51.7 p -51.5 -63.8 1.02 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.412 ' N ' ' OG ' ' A' ' 120' ' ' SER . 2.6 m -41.05 -50.53 3.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.881 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 21.4 mttm -56.14 -47.98 77.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 44.0 mmm -54.47 -54.82 35.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.832 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 47.0 mtm180 -48.99 -43.15 39.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -58.3 -38.9 77.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.19 -32.08 73.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 131.32 2.54 4.53 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.484 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -104.49 111.66 24.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.877 0.37 . . . . 0.0 110.842 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -86.17 96.59 9.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.823 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.473 ' HG3' ' CH2' ' A' ' 87' ' ' TRP . 22.5 mmt180 -138.38 132.48 31.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.8 m -64.63 161.12 47.18 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.661 0.743 . . . . 0.0 110.868 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -38.27 8.02 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.68 2.253 . . . . 0.0 112.341 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -66.14 -35.32 80.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.175 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 32.4 mmm -62.43 -48.23 80.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 88.3 m -61.52 -40.09 93.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.567 ' HA ' ' CH2' ' A' ' 116' ' ' TRP . 23.7 m -58.4 -58.09 10.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.139 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -60.54 -45.27 94.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 43.1 tptt -55.85 -41.24 74.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.789 ' CZ2' HD21 ' A' ' 143' ' ' LEU . 60.7 t-105 -60.29 -61.81 2.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -41.16 -43.71 2.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.83 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -63.96 -42.0 97.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.552 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 32.6 mt -59.32 -31.11 68.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.941 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.789 HD21 ' CZ2' ' A' ' 139' ' ' TRP . 20.3 mt -72.1 -45.36 60.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 8.5 tmtt? -61.59 -39.92 92.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -76.38 -39.7 53.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.552 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 2.7 m-85 -58.31 -41.86 85.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 39.8 mttp -67.94 -57.23 6.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.88 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 12.5 tmtt? -52.69 -41.25 63.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.929 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -49.45 152.31 1.35 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 11.9 ttmt -39.51 160.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.453 ' CD2' ' N ' ' A' ' 151' ' ' HIS . 0.7 OUTLIER -145.04 147.22 32.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.81 179.871 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' A' ' 153' ' ' ASP . 35.7 t-80 -35.49 -69.74 0.1 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 152' ' ' HIS . 34.1 t70 -35.39 139.3 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -77.23 154.31 33.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 127.41 68.1 0.15 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.505 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -79.91 -40.63 27.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.847 0.356 . . . . 0.0 110.899 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 84.97 -172.55 47.94 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.491 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 29.2 p -100.65 95.12 6.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.852 0.358 . . . . 0.0 110.867 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -62.01 -60.31 3.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.108 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 32.4 mtpt -53.91 161.16 1.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' MET . . . . . 0.409 ' HG3' ' N ' ' A' ' 162' ' ' SER . 15.8 tpt -113.46 160.43 18.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . 0.409 ' N ' ' HG3' ' A' ' 161' ' ' MET . 4.1 m -79.91 129.54 34.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.887 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -79.4 121.0 24.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -57.59 119.68 6.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.931 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.99 42.66 7.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.898 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.984 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 47.6 mmtt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.856 0.36 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 26.6 tttm -131.15 111.52 12.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 59.2 ttm-85 -107.79 -11.14 15.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.818 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -172.0 137.85 0.98 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.11 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -84.78 49.36 1.7 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 40.0 p -127.81 -47.4 1.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.154 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 11.2 m95 -118.9 155.36 31.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.708 HG23 ' H ' ' A' ' 91' ' ' GLU . 5.9 m -91.76 143.25 11.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -46.13 -26.49 0.77 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -71.7 -65.06 0.81 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.708 ' H ' HG23 ' A' ' 88' ' ' VAL . 25.6 mt-10 -56.76 -49.91 73.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.878 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 27.4 m -49.8 -54.75 17.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 50.9 ttt180 -55.85 -52.38 64.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.3 t -52.98 -50.96 63.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 21.5 tp -54.57 -62.1 1.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.924 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 70.1 mt -39.13 -59.59 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.12 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.47 -57.22 12.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -46.42 -43.79 16.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.508 ' HG2' ' CD2' ' A' ' 139' ' ' TRP . 43.9 tpt85 -68.8 -42.24 77.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 -58.94 -57.82 11.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -55.54 -39.06 73.18 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.51 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.436 ' O ' ' C ' ' A' ' 103' ' ' ASP . 65.0 mtp -76.93 -18.39 58.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.819 0.342 . . . . 0.0 110.893 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 102' ' ' MET . 7.3 t70 -35.61 -52.7 0.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 103' ' ' ASP . . . -37.03 -54.99 1.48 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.537 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 39.0 mt -54.7 -50.93 67.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.844 0.354 . . . . 0.0 110.93 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.634 ' CD1' HD13 ' A' ' 115' ' ' LEU . 62.7 m-85 -47.61 -54.38 12.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -53.16 -49.0 67.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 15.0 t -84.62 35.11 0.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.149 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.3 m -169.46 114.23 0.54 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.838 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.409 ' HD2' ' C ' ' A' ' 110' ' ' LYS . 0.2 OUTLIER -58.45 -55.93 28.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.875 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 11.1 t -83.07 123.01 29.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -105.14 33.08 3.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 6.5 mptt -71.15 -51.59 24.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.933 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 52.7 p-80 -64.71 -34.02 77.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.634 HD13 ' CD1' ' A' ' 106' ' ' PHE . 83.9 mt -65.27 -49.56 69.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 11.4 m95 -54.82 -59.13 5.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 118' ' ' GLN . 10.6 pt-20 -52.29 -35.91 51.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.906 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.404 ' N ' ' HG3' ' A' ' 117' ' ' GLU . 26.7 mt-30 -61.7 -48.32 81.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 23.7 mt -58.05 -44.33 86.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 28.7 p -60.12 -48.33 82.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.2 m -62.4 -42.87 99.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.849 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 41.1 mttt -61.35 -54.1 48.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 33.3 mmm -48.9 -54.96 13.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 26.4 ttm-85 -48.09 -47.58 34.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -60.36 -42.76 96.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 9.5 mmpt? -63.39 -47.14 83.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 146.73 34.54 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.481 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.568 ' CD1' ' HG2' ' A' ' 91' ' ' GLU . 25.4 m-85 -139.28 106.4 5.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.352 . . . . 0.0 110.908 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -86.47 94.15 9.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -141.05 139.85 34.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 21.2 m -66.1 156.3 84.85 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.634 0.731 . . . . 0.0 110.857 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -45.32 1.65 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.67 2.246 . . . . 0.0 112.391 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 1.2 p -58.37 -29.76 66.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 41.9 mmm -65.18 -40.11 93.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 83.3 m -70.53 -35.35 73.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 98.1 m -62.31 -48.97 77.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.153 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -68.48 -49.99 55.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.44 ' NZ ' HD11 ' A' ' 142' ' ' LEU . 26.0 tptp -53.05 -50.76 63.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.508 ' CD2' ' HG2' ' A' ' 99' ' ' ARG . 74.7 t-105 -53.66 -51.69 62.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 31.1 mtt180 -46.91 -44.92 20.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -63.83 -38.41 91.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.527 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 72.6 mt -60.92 -32.91 72.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.429 HD21 ' CE2' ' A' ' 139' ' ' TRP . 26.7 mt -70.81 -48.45 54.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -58.42 -42.52 87.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . 0.509 ' O ' ' HB2' ' A' ' 149' ' ' ALA . 11.7 pt-20 -73.6 -42.44 61.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.527 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 2.7 m-85 -56.83 -42.35 79.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.859 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.4 ' C ' ' HD3' ' A' ' 147' ' ' LYS . 0.1 OUTLIER -75.02 -47.4 29.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 21.3 mmtp -88.47 27.78 1.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . 0.509 ' HB2' ' O ' ' A' ' 145' ' ' GLU . . . -82.8 37.91 0.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.13 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 35.4 tttt -40.19 161.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.59 ' CD2' ' O ' ' A' ' 151' ' ' HIS . 0.6 OUTLIER -131.11 78.0 1.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.898 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -162.22 167.31 24.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -65.85 -56.41 11.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -139.53 135.54 33.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -71.5 -140.71 0.26 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.509 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -86.42 -39.52 16.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.9 0.381 . . . . 0.0 110.916 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 117.99 -131.13 9.11 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.456 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 29.7 m -154.25 176.05 12.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.839 0.352 . . . . 0.0 110.88 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -93.26 -50.49 5.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.091 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 9.2 ptmm? 39.62 39.19 0.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 43.8 mmm -130.12 156.29 44.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.841 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 27.2 t -114.88 -61.63 1.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -165.68 160.01 16.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . 0.506 ' CD2' ' HG2' ' A' ' 165' ' ' LYS . 8.0 t80 -96.88 163.16 13.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.892 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . 0.506 ' HG2' ' CD2' ' A' ' 164' ' ' TYR . 0.2 OUTLIER -49.68 145.61 5.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.864 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.98 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.845 0.355 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.03 103.78 15.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.45 ' N ' ' HD3' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -134.52 41.22 2.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -149.17 136.54 20.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.089 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -79.68 102.62 9.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.839 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.8 m -153.91 149.4 27.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.124 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 23.1 m95 -66.58 140.43 57.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.483 HG22 ' OE2' ' A' ' 91' ' ' GLU . 29.9 m -97.6 168.18 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.148 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.462 ' HG2' ' N ' ' A' ' 90' ' ' ASP . 5.4 pm0 -56.4 -32.44 64.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.462 ' N ' ' HG2' ' A' ' 89' ' ' GLN . 78.1 m-20 -67.76 -63.11 1.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.562 ' HG3' ' CD1' ' A' ' 128' ' ' PHE . 0.9 OUTLIER -56.03 -57.82 10.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.893 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 91.2 m -42.4 -51.95 4.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -61.33 -52.62 63.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.6 t -44.71 -44.79 9.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.854 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 24.9 tp -66.89 -60.28 2.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 68.3 mt -38.63 -52.53 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 91.7 mtp -55.33 -60.88 2.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.82 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.568 ' CD1' ' HE2' ' A' ' 122' ' ' LYS . 20.1 m-85 -47.69 -43.76 26.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.854 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.554 ' NH1' ' CD2' ' A' ' 106' ' ' PHE . 49.1 tpt85 -65.74 -40.42 92.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 45.5 mtt180 -65.86 -45.64 81.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -67.8 -36.17 86.56 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.475 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.429 ' O ' ' C ' ' A' ' 103' ' ' ASP . 44.7 mtp -82.96 -21.38 34.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.819 0.343 . . . . 0.0 110.91 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 102' ' ' MET . 25.0 t0 -36.27 -49.29 0.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.857 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.435 ' O ' HG22 ' A' ' 108' ' ' THR . . . -38.96 -51.06 2.65 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.514 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.407 ' HA ' HG22 ' A' ' 108' ' ' THR . 21.9 mt -58.2 -59.84 4.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.875 0.369 . . . . 0.0 110.922 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.554 ' CD2' ' NH1' ' A' ' 99' ' ' ARG . 64.2 m-85 -38.96 -40.52 0.66 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -74.83 -51.6 13.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.435 HG22 ' O ' ' A' ' 104' ' ' GLY . 14.1 t -86.21 33.03 0.61 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 28.0 t -164.34 117.19 1.35 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.86 -35.27 77.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.915 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 16.4 m -78.41 136.93 37.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.5 ' HA ' HD12 ' A' ' 115' ' ' LEU . 11.7 p-10 -125.96 -36.93 2.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -39.35 -56.18 1.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.561 ' CE1' ' HG ' ' A' ' 115' ' ' LEU . 35.5 p-80 -59.33 -45.41 91.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.836 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.561 ' HG ' ' CE1' ' A' ' 114' ' ' HIS . 81.4 mt -52.21 -48.8 64.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 36.9 m95 -56.61 -46.51 80.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -51.08 -42.34 60.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -61.36 -50.81 71.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 80.8 mt -51.4 -60.88 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 76.8 p -50.24 -53.39 28.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 47.1 t -49.61 -45.49 48.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.823 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.568 ' HE2' ' CD1' ' A' ' 98' ' ' PHE . 21.7 mtpt -58.53 -44.43 89.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 69.0 mmm -51.87 -59.83 3.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.86 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.466 ' CD ' ' HA ' ' A' ' 129' ' ' ASP . 4.2 mmm180 -48.4 -42.89 33.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.919 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -62.93 -45.89 90.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 7.4 mmpt? -63.22 -44.85 94.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 145.09 33.17 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.515 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.562 ' CD1' ' HG3' ' A' ' 91' ' ' GLU . 24.6 m-85 -138.27 107.32 6.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.855 0.359 . . . . 0.0 110.829 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.466 ' HA ' ' CD ' ' A' ' 124' ' ' ARG . 11.9 p-10 -86.57 95.58 9.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -139.26 142.8 37.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.823 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.8 m -67.29 161.15 66.8 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.626 0.727 . . . . 0.0 110.869 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -45.83 1.45 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.687 2.258 . . . . 0.0 112.349 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 10.2 p -58.51 -44.11 89.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 76.1 mmm -48.55 -44.04 36.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.857 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 72.3 m -67.59 -40.75 84.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.855 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 91.2 m -56.68 -55.02 39.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -63.0 -53.56 52.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -48.65 -54.15 15.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.646 ' CZ2' HD21 ' A' ' 143' ' ' LEU . 70.1 t-105 -48.99 -52.26 25.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 11.0 mtp180 -48.78 -40.41 28.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.934 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -63.44 -46.23 87.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 51.5 mt -56.1 -44.55 79.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.646 HD21 ' CZ2' ' A' ' 139' ' ' TRP . 55.8 mt -56.6 -49.88 73.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 2.7 mmtp -50.74 -47.01 59.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -68.88 -44.76 72.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -50.29 -42.19 52.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -59.74 -45.47 92.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 38.5 tptt -69.36 -56.77 6.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -48.65 168.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . 0.473 ' HD2' ' N ' ' A' ' 151' ' ' HIS . 10.2 tptt -93.25 134.36 35.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.861 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.473 ' N ' ' HD2' ' A' ' 150' ' ' LYS . 2.1 p80 -128.87 -55.3 1.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 153' ' ' ASP . 19.4 t60 -136.81 177.13 8.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 152' ' ' HIS . 94.3 m-20 -35.91 -47.8 0.54 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 39.6 mmt-85 -67.7 119.1 11.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 144.51 173.36 15.8 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.458 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -105.97 -40.06 5.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.877 0.37 . . . . 0.0 110.875 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 68.23 91.64 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 26.8 t -82.54 47.36 1.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.861 0.362 . . . . 0.0 110.875 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -51.81 -50.78 60.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.094 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.437 ' N ' ' HE2' ' A' ' 160' ' ' LYS . 0.2 OUTLIER -44.39 132.14 6.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.99 165.63 11.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.921 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 52.5 p -70.78 166.9 19.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.846 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -139.28 170.07 16.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.936 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . 0.451 ' CG ' ' N ' ' A' ' 165' ' ' LYS . 57.2 t80 -142.59 161.76 37.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.947 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . 0.451 ' N ' ' CG ' ' A' ' 164' ' ' TYR . 1.3 mppt? -50.17 172.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.858 179.984 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 89.0 mttt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.843 0.354 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -149.25 111.18 4.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.57 143.9 5.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.47 174.5 4.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.043 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -87.55 -33.44 18.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 18.6 m -40.72 -44.97 2.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.176 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 8.2 m95 -112.92 153.17 28.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.578 HG23 ' H ' ' A' ' 91' ' ' GLU . 23.0 m -96.95 138.37 22.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.123 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 88' ' ' VAL . 29.1 pt20 -35.79 -45.16 0.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.926 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.411 ' N ' ' HG3' ' A' ' 89' ' ' GLN . 19.6 m-20 -51.6 -64.8 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.578 ' H ' HG23 ' A' ' 88' ' ' VAL . 62.1 mt-10 -57.27 -60.04 4.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 61.1 m -41.97 -57.08 2.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 7.1 ttm180 -56.76 -45.2 82.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.5 t -56.76 -52.23 65.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 96' ' ' ILE . 22.4 tp -56.19 -62.54 1.64 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.915 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.426 ' C ' ' O ' ' A' ' 95' ' ' LEU . 65.5 mt -36.03 -55.0 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.106 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 10.6 mtp -56.51 -52.1 66.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -52.58 -36.68 56.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.59 ' NH2' ' CZ2' ' A' ' 139' ' ' TRP . 3.6 mmm180 -70.66 -56.9 5.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.86 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -46.65 -47.84 20.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -63.78 -40.1 98.11 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.495 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 40.0 mmm -76.16 -21.02 57.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.772 0.32 . . . . 0.0 110.873 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 104' ' ' GLY . 22.5 t70 -38.03 -53.98 1.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 103' ' ' ASP . . . -35.89 -47.52 0.98 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.513 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 19.4 mt -64.09 -48.97 74.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.835 0.35 . . . . 0.0 110.949 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.613 ' CD1' HD13 ' A' ' 115' ' ' LEU . 75.2 m-85 -53.85 -42.06 68.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -55.4 -50.05 70.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.686 HG23 ' O ' ' A' ' 108' ' ' THR . 9.9 t -112.66 84.94 2.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.3 t -174.95 140.33 0.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 20.1 ttpp -73.53 -52.1 14.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 45.4 t -101.34 157.17 16.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.477 ' O ' ' N ' ' A' ' 115' ' ' LEU . 5.4 p30 -127.79 -31.34 2.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.846 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 112' ' ' ASN . 25.2 mmtp -36.91 -44.55 0.51 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.941 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.465 ' CE1' ' HG ' ' A' ' 115' ' ' LEU . 20.7 p-80 -63.78 -42.42 97.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.807 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.613 HD13 ' CD1' ' A' ' 106' ' ' PHE . 72.0 mt -56.34 -44.08 79.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.477 ' CZ3' ' HD3' ' A' ' 99' ' ' ARG . 58.5 m95 -60.77 -48.33 82.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -54.41 -41.61 69.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.939 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -57.63 -55.99 27.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 51.1 mt -51.84 -53.39 17.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.118 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.9 t -49.14 -64.83 0.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 22.8 t -47.07 -41.99 17.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.862 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 123' ' ' MET . 33.1 mtpt -58.72 -66.06 0.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . 0.407 ' C ' ' O ' ' A' ' 122' ' ' LYS . 35.0 mmm -36.45 -58.02 0.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.411 ' HG3' ' CG ' ' A' ' 129' ' ' ASP . 32.0 ttp180 -47.22 -57.14 5.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -54.8 -42.98 72.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 20.6 mmtt -59.37 -41.63 89.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 155.3 -23.84 0.58 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.471 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.5 ' CD1' ' HG2' ' A' ' 91' ' ' GLU . 49.8 m-85 -98.97 103.58 15.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.855 0.36 . . . . 0.0 110.895 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.411 ' CG ' ' HG3' ' A' ' 124' ' ' ARG . 21.9 t0 -84.07 109.26 17.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -139.52 158.75 43.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.8 m -80.3 160.83 66.98 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.667 0.746 . . . . 0.0 110.868 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -36.09 11.38 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.638 2.225 . . . . 0.0 112.378 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 9.3 p -70.73 -43.39 68.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.134 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 97.7 mmm -51.52 -42.79 61.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 73.2 m -70.2 -42.37 72.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 89.2 m -58.09 -49.34 77.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -67.47 -51.39 51.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 25.8 tptt -51.82 -51.19 58.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.59 ' CZ2' ' NH2' ' A' ' 99' ' ' ARG . 72.6 t-105 -52.67 -55.26 23.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 67.5 mtt-85 -44.66 -46.14 10.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 -59.0 -40.96 86.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.454 HD12 ' HA ' ' A' ' 139' ' ' TRP . 74.2 mt -60.3 -43.77 96.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.587 HD21 ' CE2' ' A' ' 139' ' ' TRP . 36.8 mt -60.42 -37.82 82.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.96 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.24 -46.68 85.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -71.37 -29.27 64.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -72.67 -45.94 56.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -55.38 -53.82 51.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.937 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -93.09 27.88 2.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -66.97 110.7 3.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 44.0 pttt -105.79 178.46 4.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -81.37 84.81 6.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -135.99 141.14 44.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -140.68 150.86 44.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 58.1 mtm180 -151.02 135.11 16.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -115.24 102.74 1.15 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -88.56 -41.71 12.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.802 0.334 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 123.26 176.23 14.76 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.504 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 25.9 t -123.21 85.43 2.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.922 0.391 . . . . 0.0 110.894 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -62.8 -52.52 62.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.101 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -60.99 136.18 58.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 56.5 ttp -131.84 142.71 49.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 2.5 t -73.91 -49.71 23.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.83 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -40.89 131.33 2.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.934 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . 0.476 ' CG ' ' N ' ' A' ' 165' ' ' LYS . 26.3 t80 -140.11 159.5 42.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.933 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . 0.476 ' N ' ' CG ' ' A' ' 164' ' ' TYR . 56.8 mttt -35.91 120.8 0.63 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.903 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.879 179.947 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.4 mptt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.864 0.364 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 17.4 mttm -111.01 127.16 55.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -90.59 87.27 6.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -107.97 87.39 2.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.073 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 38.73 44.34 0.8 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 88.4 m -98.1 146.27 25.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.425 ' HH2' ' HG ' ' A' ' 135' ' ' CYS . 30.9 m95 -66.75 155.88 36.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.416 ' O ' ' C ' ' A' ' 89' ' ' GLN . 12.0 m -115.1 143.05 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.15 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 88' ' ' VAL . 11.8 tt0 -37.0 -42.74 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.941 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -52.35 -68.1 0.2 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.871 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.545 ' HG2' ' CD1' ' A' ' 128' ' ' PHE . 48.6 mt-10 -54.75 -59.48 4.66 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.7 m -40.0 -51.42 2.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.141 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 3.8 tmm_? -57.19 -56.78 17.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.4 t -50.45 -49.25 55.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 96' ' ' ILE . 20.7 tp -56.57 -67.37 0.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.432 ' C ' ' O ' ' A' ' 95' ' ' LEU . 85.8 mt -35.61 -53.49 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.149 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 24.6 ttm -59.51 -45.91 90.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 3.0 m-30 -55.25 -47.43 75.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.867 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.523 ' HG2' ' CE2' ' A' ' 139' ' ' TRP . 37.5 tpt85 -65.5 -40.82 93.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -62.1 -45.07 95.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -65.03 -44.25 94.63 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.494 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.422 ' CE ' HE21 ' A' ' 118' ' ' GLN . 64.9 mtp -81.07 -11.02 59.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.725 0.297 . . . . 0.0 110.838 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -39.63 -43.87 1.41 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.927 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -47.16 -45.71 20.78 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.46 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.408 ' HB3' HD21 ' A' ' 115' ' ' LEU . 39.5 mt -63.17 -47.08 84.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.85 0.357 . . . . 0.0 110.905 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.547 ' CE2' ' HB2' ' A' ' 112' ' ' ASN . 49.4 m-85 -47.41 -32.55 5.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -70.19 -53.11 18.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.417 HG23 ' O ' ' A' ' 108' ' ' THR . 9.6 t -83.08 49.95 1.64 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 8.3 t -170.72 109.56 0.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.853 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.75 -21.04 25.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.2 t -134.48 114.69 13.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.822 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.547 ' HB2' ' CE2' ' A' ' 106' ' ' PHE . 1.8 p30 -88.37 30.1 0.91 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.913 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 52.6 mmtt -61.87 -63.52 1.23 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 49.3 p-80 -54.56 -32.14 57.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.474 HD13 ' CD1' ' A' ' 106' ' ' PHE . 96.1 mt -64.85 -44.88 88.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 12.6 m95 -59.1 -51.46 69.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.47 -34.73 74.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.422 HE21 ' CE ' ' A' ' 102' ' ' MET . 13.2 tt0 -68.97 -45.64 70.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.922 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 69.6 mt -59.25 -42.88 88.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 63.6 p -59.27 -61.13 2.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 58.8 p -47.69 -49.26 28.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 28.9 mttm -50.67 -42.21 56.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 91.1 mtp -62.48 -41.15 98.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.864 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 17.0 mtm180 -57.21 -47.21 81.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -56.57 -32.54 65.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.476 ' HE2' ' N ' ' A' ' 126' ' ' LYS . 0.4 OUTLIER -77.73 -27.35 50.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.937 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 131.4 -11.34 5.52 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.488 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.545 ' CD1' ' HG2' ' A' ' 91' ' ' GLU . 24.0 m-85 -91.49 107.81 19.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.887 0.375 . . . . 0.0 110.889 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 5.9 p30 -96.53 92.97 6.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -133.51 133.38 42.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.9 m -53.7 161.23 1.69 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.684 0.754 . . . . 0.0 110.828 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -50.77 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.647 2.231 . . . . 0.0 112.33 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -56.46 -37.77 70.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 86.5 mmm -48.7 -58.4 4.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . 0.425 ' HG ' ' HH2' ' A' ' 87' ' ' TRP . 73.1 m -61.43 -33.47 73.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.896 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 40.0 m -61.38 -52.49 64.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.162 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -70.38 -46.71 63.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 39.8 tptt -59.89 -40.06 87.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.782 ' CZ2' HD21 ' A' ' 143' ' ' LEU . 49.5 t-105 -60.19 -55.0 39.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.942 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 17.0 mtp180 -48.32 -45.5 35.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.896 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 17.2 t30 -61.26 -42.4 98.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.466 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 27.8 mt -55.77 -36.36 67.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.782 HD21 ' CZ2' ' A' ' 139' ' ' TRP . 17.9 mt -69.59 -42.07 74.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.938 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.06 -41.69 99.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' A' ' 146' ' ' PHE . 9.0 pt-20 -74.95 -39.46 61.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.882 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.466 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 3.4 m-85 -59.11 -44.26 91.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -48.37 -42.19 30.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -90.78 28.5 1.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -44.11 154.27 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.79 161.09 23.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.463 ' CD2' ' N ' ' A' ' 151' ' ' HIS . 1.4 p80 -175.0 168.13 3.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 151' ' ' HIS . 30.9 m80 -37.97 108.99 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.97 -44.7 95.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.854 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 52.67 41.61 31.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -163.52 -117.22 0.4 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.506 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 33.0 t-20 -89.43 -41.66 11.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.832 0.349 . . . . 0.0 110.901 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 52.61 -168.83 0.77 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.481 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 86.3 p -119.54 97.35 5.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.881 0.372 . . . . 0.0 110.816 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.423 ' O ' ' C ' ' A' ' 160' ' ' LYS . . . -98.76 -52.58 3.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.181 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 159' ' ' ALA . 26.5 mtmt -36.53 101.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.933 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 3.7 ttm -174.67 121.49 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 68.4 p -169.49 117.44 0.62 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.833 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -65.69 168.77 7.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . 0.424 ' CZ ' ' O ' ' A' ' 165' ' ' LYS . 17.8 t80 -117.52 150.24 39.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.97 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . 0.424 ' O ' ' CZ ' ' A' ' 164' ' ' TYR . 0.0 OUTLIER -107.98 154.27 21.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.884 179.961 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.3 ptmm? . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.852 0.358 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.4 ptmm? -73.59 103.27 4.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -92.9 35.38 1.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.821 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -78.46 -13.32 59.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.093 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -131.64 -33.34 1.43 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 87.6 m -56.25 139.88 46.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.591 ' CD2' ' NH1' ' A' ' 130' ' ' ARG . 15.6 m95 -98.3 153.72 18.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.446 HG23 ' H ' ' A' ' 91' ' ' GLU . 34.9 m -108.03 149.53 11.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 88' ' ' VAL . 13.2 tt0 -36.07 -55.25 0.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.97 -64.21 0.8 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.454 ' N ' ' OE1' ' A' ' 91' ' ' GLU . 1.4 mp0 -54.33 -61.64 2.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.931 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.615 HG22 ' CD1' ' A' ' 96' ' ' ILE . 89.6 m -39.81 -56.46 1.76 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.142 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -52.56 -44.58 65.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.436 ' O ' ' CD2' ' A' ' 98' ' ' PHE . 2.2 t -61.18 -52.6 64.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.865 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 12.9 tp -58.09 -46.58 85.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.615 ' CD1' HG22 ' A' ' 92' ' ' THR . 64.2 mt -56.63 -73.13 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.174 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 11.7 tpp -41.29 -49.98 3.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.436 ' CD2' ' O ' ' A' ' 94' ' ' SER . 3.4 m-85 -48.33 -52.99 19.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.864 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.443 ' NH1' ' OD1' ' A' ' 103' ' ' ASP . 0.1 OUTLIER -55.29 -58.04 9.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.87 -179.907 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.448 ' O ' ' CB ' ' A' ' 103' ' ' ASP . 13.7 mtm180 -44.84 -58.91 2.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.823 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -47.28 -43.38 19.13 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.529 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 77.9 mtp -79.87 -14.03 58.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.84 0.352 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.448 ' CB ' ' O ' ' A' ' 100' ' ' ARG . 22.3 t0 -41.07 -27.48 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -59.46 -43.92 97.1 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.475 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 18.0 mt -68.1 -42.68 79.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.854 0.359 . . . . 0.0 110.928 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.737 ' CD1' HD13 ' A' ' 115' ' ' LEU . 56.8 m-85 -58.46 -37.31 75.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -60.03 -51.3 70.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -113.68 81.11 1.46 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.134 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 43.1 t -157.99 157.98 34.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.18 -7.12 27.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.857 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 73.5 p -149.71 157.28 43.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.426 ' O ' ' C ' ' A' ' 113' ' ' LYS . 2.0 p30 -124.61 -36.29 2.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.915 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 112' ' ' ASN . 39.2 mmtm -34.97 -50.11 0.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.469 ' CG ' ' N ' ' A' ' 115' ' ' LEU . 36.7 p-80 -64.01 -46.29 85.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.853 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.737 HD13 ' CD1' ' A' ' 106' ' ' PHE . 41.7 mt -50.64 -41.22 54.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 48.4 m95 -64.59 -55.65 19.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -47.39 -37.07 10.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -64.06 -53.88 42.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 82.0 mt -48.39 -44.42 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 28.4 t -57.75 -57.23 13.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.808 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 59.7 p -45.82 -50.88 13.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 55.9 mttt -50.88 -55.08 18.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.901 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 34.8 mmm -46.15 -56.28 5.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 54.9 mtt180 -49.57 -38.25 30.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -65.03 -43.08 93.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.476 ' HE3' ' N ' ' A' ' 126' ' ' LYS . 0.1 OUTLIER -69.34 -52.74 24.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.911 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.52 ' O ' ' CD1' ' A' ' 128' ' ' PHE . . . 154.89 34.27 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.498 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.52 ' CD1' ' O ' ' A' ' 127' ' ' GLY . 24.7 m-85 -142.83 105.87 4.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.92 0.391 . . . . 0.0 110.865 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.86 99.99 12.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.591 ' NH1' ' CD2' ' A' ' 87' ' ' TRP . 20.6 mmt85 -140.43 130.62 24.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.5 m -55.5 159.35 4.82 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.648 0.737 . . . . 0.0 110.882 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -45.14 1.66 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.697 2.265 . . . . 0.0 112.308 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -55.43 -42.06 73.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.182 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 61.7 mmm -58.5 -39.44 80.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 77.5 m -68.17 -37.34 80.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.845 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 15.7 m -60.65 -59.97 4.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.199 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -58.36 -45.99 87.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 21.7 tptt -49.02 -46.74 44.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.792 ' NE1' HD21 ' A' ' 143' ' ' LEU . 62.1 t-105 -59.4 -54.93 41.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.976 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.28 -44.51 2.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -63.13 -48.1 79.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 28.4 mt -50.82 -42.66 58.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.792 HD21 ' NE1' ' A' ' 139' ' ' TRP . 18.3 mt -61.59 -49.73 75.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.72 -38.78 61.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.928 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -78.56 -37.74 41.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.856 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -58.71 -43.46 90.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.867 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 66.3 mttt -59.15 -46.68 87.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.872 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 24.9 tptt -97.66 26.03 5.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -55.05 94.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.112 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . 0.457 ' HG3' ' N ' ' A' ' 151' ' ' HIS . 8.4 ttpt -99.93 148.44 24.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.879 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.457 ' N ' ' HG3' ' A' ' 150' ' ' LYS . 1.4 p80 -145.86 171.62 14.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.898 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 20.7 t-80 47.1 46.44 16.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 25.2 p-10 -104.67 151.95 23.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 9.1 ptt180 -77.06 154.1 33.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 140.25 131.83 2.8 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.452 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -96.83 -38.45 9.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.876 0.369 . . . . 0.0 110.879 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 85.12 58.63 2.06 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.515 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 24.0 p -159.7 122.62 3.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.887 0.375 . . . . 0.0 110.832 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -71.58 -58.85 3.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.105 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.39 -62.02 1.36 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' MET . . . . . 0.4 ' O ' ' C ' ' A' ' 162' ' ' SER . 12.2 mmt -140.46 136.3 32.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.837 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 161' ' ' MET . 78.6 p -38.44 125.25 1.34 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -89.73 64.69 6.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -78.46 -6.03 54.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.906 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 19.6 mmmt -101.96 57.9 0.82 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.966 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 40.0 mmtt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.871 0.367 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -85.89 139.7 31.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.879 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 37.8 mtm180 -103.81 110.33 22.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -168.44 -175.44 2.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.1 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -85.89 50.52 1.99 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 4.0 m -98.36 135.37 40.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.144 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 25.3 m95 -64.82 157.58 27.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.545 HG22 ' CD ' ' A' ' 91' ' ' GLU . 35.7 m -110.51 176.85 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.464 ' HG2' ' N ' ' A' ' 90' ' ' ASP . 0.3 OUTLIER -64.31 -34.29 77.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.464 ' N ' ' HG2' ' A' ' 89' ' ' GLN . 74.3 m-20 -66.86 -62.76 1.28 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.545 ' CD ' HG22 ' A' ' 88' ' ' VAL . 1.2 mp0 -53.72 -56.65 15.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.55 HG22 ' CD1' ' A' ' 96' ' ' ILE . 96.9 m -46.03 -57.13 4.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.173 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.5 ttm180 -49.16 -58.5 4.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.404 ' O ' ' CD2' ' A' ' 98' ' ' PHE . 1.7 t -45.55 -50.62 12.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 96' ' ' ILE . 15.6 tp -62.16 -65.38 0.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.55 ' CD1' HG22 ' A' ' 92' ' ' THR . 98.1 mt -37.43 -47.98 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.12 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 48.4 mtp -63.82 -54.12 39.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.404 ' CD2' ' O ' ' A' ' 94' ' ' SER . 17.5 m-85 -49.02 -42.76 39.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.858 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.585 ' HG2' ' CH2' ' A' ' 139' ' ' TRP . 6.8 tpt180 -66.26 -42.14 88.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 62.8 mtp85 -59.0 -57.55 12.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -53.7 -44.71 69.5 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.555 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.435 ' O ' ' C ' ' A' ' 103' ' ' ASP . 66.4 mtp -73.0 -21.95 60.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.741 0.305 . . . . 0.0 110.877 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 102' ' ' MET . 26.3 t0 -35.39 -52.75 0.64 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 103' ' ' ASP . . . -37.65 -45.24 1.43 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.512 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 57.7 mt -64.41 -46.71 82.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.853 0.359 . . . . 0.0 110.9 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.577 ' CD1' HD13 ' A' ' 115' ' ' LEU . 69.9 m-85 -55.72 -46.37 77.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.906 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 58.3 m-80 -52.83 -50.56 63.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.855 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.624 HG23 ' O ' ' A' ' 108' ' ' THR . 7.7 t -118.6 87.93 2.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 47.6 t -172.73 143.49 1.28 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 7.2 tptm -80.62 -47.08 14.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.946 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 33.3 t -94.81 143.97 26.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 115' ' ' LEU . 1.0 OUTLIER -121.16 -43.78 2.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.901 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -41.22 -38.44 1.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.511 ' CE1' ' HG ' ' A' ' 115' ' ' LEU . 9.3 p-80 -63.89 -38.51 91.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.886 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.577 HD13 ' CD1' ' A' ' 106' ' ' PHE . 96.1 mt -62.97 -40.05 96.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 27.2 m95 -61.31 -58.75 7.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -52.34 -31.6 34.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -66.68 -48.02 70.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 96.2 mt -55.28 -50.42 64.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 60.3 p -54.79 -46.63 74.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 57.8 m -59.04 -49.29 78.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 28.2 mttm -54.91 -50.97 67.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 35.1 mmm -49.33 -53.84 20.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 3.5 mtp-105 -52.52 -38.53 59.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -62.88 -40.5 97.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.47 ' HE2' ' N ' ' A' ' 126' ' ' LYS . 0.6 OUTLIER -72.48 -40.84 66.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.911 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 142.11 38.84 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.474 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -143.17 110.07 5.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.833 0.349 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -96.15 94.23 7.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 17.2 mmt180 -135.16 132.69 38.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.1 m -52.91 160.43 1.49 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.673 0.749 . . . . 0.0 110.829 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -49.73 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.638 2.226 . . . . 0.0 112.325 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -57.43 -38.14 73.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.173 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 92.4 mmm -50.72 -50.41 55.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 97.5 m -67.9 -31.27 70.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 19.0 m -64.12 -48.95 74.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -71.71 -47.81 51.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 25.2 tptt -59.72 -40.55 88.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.783 ' CZ2' HD21 ' A' ' 143' ' ' LEU . 45.8 t-105 -60.16 -54.91 40.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.929 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -48.87 -43.01 38.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -63.58 -42.2 98.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.495 HD13 HG12 ' A' ' 96' ' ' ILE . 29.8 mt -55.72 -35.39 66.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.783 HD21 ' CZ2' ' A' ' 139' ' ' TRP . 27.8 mt -69.3 -50.34 47.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.85 -41.18 73.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 146' ' ' PHE . 13.1 pt-20 -74.27 -44.13 54.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.495 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 3.8 m-85 -53.48 -44.43 68.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -49.09 -29.37 5.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -54.7 -40.1 68.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -57.79 178.46 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.069 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.01 -37.2 11.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.445 ' O ' ' CD2' ' A' ' 151' ' ' HIS . 0.1 OUTLIER -162.85 150.54 13.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 179.874 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -173.77 107.55 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -170.4 106.63 0.31 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.94 -59.14 4.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -166.03 173.94 41.61 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.472 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -66.24 -41.85 89.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.862 0.363 . . . . 0.0 110.88 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 101.42 -62.52 0.55 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 4.7 t 52.32 42.23 30.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.813 0.34 . . . . 0.0 110.853 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -46.73 -54.17 10.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.098 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 18.4 tptt 66.17 41.82 3.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 34.2 tpp -76.1 142.78 41.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 14.9 t -128.78 119.28 24.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -169.46 122.81 0.77 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.97 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . 0.489 ' CG ' ' N ' ' A' ' 165' ' ' LYS . 64.0 t80 -152.22 162.98 40.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . 0.489 ' N ' ' CG ' ' A' ' 164' ' ' TYR . 39.9 tttp -42.3 150.92 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.919 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . 0.428 ' N ' ' HG2' ' A' ' 165' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.413 ' HD2' ' C ' ' A' ' 81' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.842 0.353 . . . . 0.0 110.89 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.417 ' HE3' ' HB2' ' A' ' 84' ' ' ALA . 0.0 OUTLIER -76.21 -176.17 3.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.837 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 -94.23 50.14 1.36 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.417 ' HB2' ' HE3' ' A' ' 82' ' ' LYS . . . -56.26 155.86 6.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.063 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -104.6 -31.62 9.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 17.6 m -69.87 -50.04 46.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.145 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 18.8 m95 -113.96 144.07 43.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.417 ' O ' ' C ' ' A' ' 89' ' ' GLN . 21.4 m -104.2 155.7 5.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.139 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.446 ' NE2' ' HA ' ' A' ' 90' ' ' ASP . 1.6 tm0? -37.04 -53.92 0.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.9 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.446 ' HA ' ' NE2' ' A' ' 89' ' ' GLN . 8.0 m-20 -52.81 -69.94 0.1 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.845 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -41.98 -48.97 4.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 98.7 m -61.18 -37.57 83.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.151 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 -69.13 -45.98 68.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.845 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 t -59.97 -48.11 83.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 16.4 tp -55.5 -67.83 0.25 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 98.6 mt -37.71 -53.39 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 30.8 tpp -48.98 -60.37 2.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.513 ' CE1' ' HE2' ' A' ' 122' ' ' LYS . 39.2 m-85 -51.52 -40.93 60.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.858 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.561 ' HG2' ' CZ3' ' A' ' 139' ' ' TRP . 37.3 tpt85 -61.3 -36.2 79.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 27.4 mtt180 -72.67 -48.37 39.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -63.68 -20.94 64.53 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.519 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 45.1 mtp -102.69 -11.62 18.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.8 0.333 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 104' ' ' GLY . 0.4 OUTLIER -40.62 -43.26 1.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.813 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.421 ' N ' ' OD1' ' A' ' 103' ' ' ASP . . . -44.47 -42.43 7.24 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.461 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.472 ' HB3' HD21 ' A' ' 115' ' ' LEU . 38.5 mt -72.81 -35.63 67.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.786 0.327 . . . . 0.0 110.875 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.57 ' CE2' ' HB3' ' A' ' 112' ' ' ASN . 72.5 m-85 -70.13 -28.25 65.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -54.99 -53.64 53.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.664 HG23 ' O ' ' A' ' 108' ' ' THR . 9.5 t -121.34 99.51 6.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.17 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.1 t -170.24 123.8 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.47 -13.67 9.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.898 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 20.8 p -168.98 122.05 0.8 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.573 ' HB3' HD12 ' A' ' 115' ' ' LEU . 1.1 m120 -88.56 34.84 0.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.37 -65.43 0.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.938 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.53 ' CE1' ' HG ' ' A' ' 115' ' ' LEU . 22.9 p-80 -51.29 -26.84 8.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.839 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.573 HD12 ' HB3' ' A' ' 112' ' ' ASN . 72.9 mt -71.25 -50.58 31.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 9.7 m95 -54.95 -52.3 63.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -61.67 -32.69 72.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -66.57 -46.38 76.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 83.2 mt -58.76 -46.65 90.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.109 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 26.4 p -54.82 -59.52 4.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.798 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 43.5 m -45.18 -51.84 10.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.852 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.513 ' HE2' ' CE1' ' A' ' 98' ' ' PHE . 30.5 mtpt -49.76 -67.29 0.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . 0.431 ' C ' ' O ' ' A' ' 122' ' ' LYS . 32.9 mmm -34.51 -54.48 0.53 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 14.7 ttt180 -50.39 -50.85 50.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -54.99 -39.96 69.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.96 -37.52 75.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 146.86 -10.49 1.4 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -99.3 103.52 15.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.83 0.348 . . . . 0.0 110.898 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' A' ' 129' ' ' ASP . 1.9 p30 -90.2 102.31 15.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 43.0 mmt-85 -141.33 145.98 36.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.4 m -69.9 160.39 80.4 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.671 0.748 . . . . 0.0 110.87 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 -41.17 4.56 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.672 2.248 . . . . 0.0 112.404 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.13 -37.38 74.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . 0.404 ' CE ' ' HA ' ' A' ' 134' ' ' MET . 1.7 mmt -58.63 -46.97 85.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 70.9 m -62.69 -38.42 90.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 78.5 m -62.45 -59.58 4.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.161 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -61.82 -46.34 89.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 35.5 tptt -56.47 -47.46 79.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.594 ' HA ' HD12 ' A' ' 142' ' ' LEU . 71.3 t-105 -54.04 -49.5 68.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.941 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -51.52 -48.32 63.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -56.94 -43.51 81.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.594 HD12 ' HA ' ' A' ' 139' ' ' TRP . 45.8 mt -56.33 -42.27 77.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 34.1 mt -60.99 -44.66 97.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.34 -47.79 69.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -71.9 -45.07 62.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.833 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -49.96 -34.41 20.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 17.0 tttt -76.95 -40.13 48.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 38.8 mmtt -64.76 -39.86 94.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -83.38 -175.1 5.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.089 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.29 172.32 6.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.457 ' CD2' ' H ' ' A' ' 151' ' ' HIS . 0.2 OUTLIER -74.77 167.45 21.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.829 179.912 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 20.8 m80 -148.06 115.97 6.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 22.2 p-10 -95.92 91.54 6.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 55.3 ttm-85 -138.06 154.47 49.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -174.49 108.3 0.26 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.485 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 38.2 t-20 -89.69 -41.39 11.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.88 0.371 . . . . 0.0 110.852 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 59.99 -169.05 7.68 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.482 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 4.1 m -115.76 87.44 2.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.889 0.376 . . . . 0.0 110.859 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 160' ' ' LYS . . . -94.18 -41.96 9.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.106 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 159' ' ' ALA . 75.3 mttt -35.73 -62.29 0.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -171.07 176.09 4.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 41.1 t -120.63 -55.08 2.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -85.21 136.21 33.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . 0.42 ' C ' ' HD3' ' A' ' 165' ' ' LYS . 0.1 OUTLIER -92.8 -10.51 36.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.924 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . 0.42 ' HD3' ' C ' ' A' ' 164' ' ' TYR . 0.0 OUTLIER -143.44 172.04 13.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.87 179.914 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.919 179.961 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.826 0.346 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 26.6 mtmm -72.4 155.83 39.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 51.3 mmt-85 -59.55 100.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.53 102.15 14.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -73.81 100.42 3.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.892 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 22.3 m -133.64 -40.26 0.88 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 14.5 m95 -103.04 143.68 32.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.8 m -97.15 165.99 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.17 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.405 ' HG3' ' N ' ' A' ' 90' ' ' ASP . 26.9 pt20 -54.46 -45.04 73.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.931 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.405 ' N ' ' HG3' ' A' ' 89' ' ' GLN . 68.2 m-20 -51.49 -65.68 0.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.471 ' HG2' ' CD1' ' A' ' 128' ' ' PHE . 73.5 mt-10 -59.18 -62.74 1.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 91' ' ' GLU . 85.3 m -36.88 -50.89 0.88 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.164 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 14.8 ttt85 -59.21 -51.28 70.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.3 t -54.23 -54.38 40.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.843 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 18.5 tp -51.6 -64.73 0.72 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 66.8 mt -42.69 -44.05 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 9.5 mmt -61.02 -59.16 5.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.876 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -46.76 -39.58 11.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.544 ' CB ' ' CZ3' ' A' ' 139' ' ' TRP . 4.0 mmm180 -68.13 -40.51 82.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 28.2 mtp85 -68.23 -42.21 80.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -66.98 -40.13 93.34 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.503 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 54.0 mtp -88.14 -8.94 54.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.772 0.32 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.27 -45.48 2.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -38.75 -45.8 2.1 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.476 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.439 HD13 ' CD2' ' A' ' 115' ' ' LEU . 60.1 mt -66.25 -49.84 65.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.884 0.373 . . . . 0.0 110.942 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.554 ' CE2' ' HB3' ' A' ' 112' ' ' ASN . 81.9 m-85 -52.98 -41.73 64.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.855 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -47.66 -46.1 28.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.92 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.621 HG23 ' O ' ' A' ' 108' ' ' THR . 7.5 t -118.53 83.17 1.97 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.123 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 6.1 t -174.63 126.63 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.42 ' C ' ' HD2' ' A' ' 110' ' ' LYS . 3.3 tmmm? -65.4 -53.73 38.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.419 ' N ' ' HD2' ' A' ' 110' ' ' LYS . 47.2 t -113.94 118.65 34.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.834 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.554 ' HB3' ' CE2' ' A' ' 106' ' ' PHE . 13.3 m-20 -90.37 31.64 1.0 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.919 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 41.6 tttt -67.11 -53.52 29.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 48.3 p-80 -58.19 -38.26 76.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.858 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.51 HD13 ' CD1' ' A' ' 106' ' ' PHE . 55.9 mt -62.58 -42.1 99.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.878 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.426 ' CD1' ' O ' ' A' ' 112' ' ' ASN . 19.0 m95 -59.3 -57.58 12.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -52.21 -34.48 45.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -70.65 -56.47 6.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.959 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 67.6 mt -51.32 -58.26 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.159 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -52.21 -52.83 49.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 6.0 m -51.03 -49.82 59.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 29.8 mtpt -53.35 -46.79 69.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.914 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 36.2 mmm -51.55 -51.33 56.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 13.7 mtt-85 -54.25 -40.51 67.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -63.9 -40.15 95.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.476 ' HE2' ' N ' ' A' ' 126' ' ' LYS . 0.5 OUTLIER -69.49 -28.57 66.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.902 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 135.8 -10.3 4.25 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.474 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.471 ' CD1' ' HG2' ' A' ' 91' ' ' GLU . 22.8 m-85 -97.31 105.91 18.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.88 0.371 . . . . 0.0 110.879 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -95.21 97.66 10.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -135.38 133.76 39.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 6.7 m -51.24 152.48 4.14 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.628 0.728 . . . . 0.0 110.854 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -36.79 10.12 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.65 2.233 . . . . 0.0 112.39 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -63.36 -36.78 84.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 76.3 mmm -59.49 -47.77 84.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 47.7 m -61.65 -38.11 86.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 84.9 m -61.3 -61.14 2.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.171 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -61.53 -44.13 97.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 38.8 tptt -51.9 -47.15 64.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.544 ' CZ3' ' CB ' ' A' ' 99' ' ' ARG . 64.8 t-105 -58.68 -53.28 60.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.922 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.99 -46.98 5.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 33.5 t30 -61.05 -45.65 93.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.546 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 40.2 mt -52.68 -35.93 56.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.446 HD21 ' NE1' ' A' ' 139' ' ' TRP . 33.4 mt -69.52 -44.86 70.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 25.1 tptp -61.14 -43.58 98.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.907 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -73.08 -42.4 63.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.546 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 3.1 m-85 -53.7 -42.7 68.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -66.62 -60.64 2.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.927 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp -84.79 27.61 0.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -61.26 125.23 23.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 151' ' ' HIS . 32.9 tttm -43.04 167.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.445 ' C ' ' O ' ' A' ' 150' ' ' LYS . 0.3 OUTLIER -34.0 140.55 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.884 179.898 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 18.3 m170 -46.55 162.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 63.08 43.41 6.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 19.4 ptt180 -82.64 163.66 21.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -68.39 165.18 47.16 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.505 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -99.47 -41.81 7.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.873 0.368 . . . . 0.0 110.909 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 158.31 -152.19 23.33 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.487 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 1.1 t -85.63 155.0 21.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.904 0.383 . . . . 0.0 110.859 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -98.68 -43.83 6.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.121 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 15.0 ttpt -37.24 145.65 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 6.4 ttt -144.45 132.01 21.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 93.2 p -43.44 116.77 0.99 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.857 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -168.8 135.92 1.91 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -114.68 123.67 49.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.924 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . 0.419 ' H ' ' CD ' ' A' ' 165' ' ' LYS . 0.0 OUTLIER -86.31 138.78 31.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 179.962 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.474 ' HE3' ' N ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.842 0.353 . . . . 0.0 110.907 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -72.51 146.99 46.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -49.8 118.01 2.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -98.75 117.76 33.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.095 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -99.14 99.77 10.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 31.9 p -124.83 -44.0 1.96 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.584 ' CZ2' ' HD3' ' A' ' 130' ' ' ARG . 14.5 m95 -116.38 155.33 28.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.688 HG23 ' H ' ' A' ' 91' ' ' GLU . 34.7 m -104.11 138.04 30.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.164 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.454 ' HG3' ' N ' ' A' ' 90' ' ' ASP . 11.7 pt20 -34.07 -40.84 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.454 ' N ' ' HG3' ' A' ' 89' ' ' GLN . 3.4 m-20 -58.94 -62.56 1.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.688 ' H ' HG23 ' A' ' 88' ' ' VAL . 40.7 mt-10 -61.17 -47.01 88.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 66.6 m -53.77 -48.85 69.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 16.5 ttm-85 -67.44 -43.57 80.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.438 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 88.3 p -57.33 -35.29 69.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 23.1 tp -73.69 -60.82 2.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.947 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.428 HG22 ' HD2' ' A' ' 100' ' ' ARG . 62.0 mt -38.34 -47.5 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 86.0 mmm -64.73 -51.11 64.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.438 ' CD1' ' O ' ' A' ' 94' ' ' SER . 3.2 m-85 -49.75 -48.0 50.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.647 ' NH1' ' CZ ' ' A' ' 106' ' ' PHE . 6.0 mmm180 -60.88 -57.9 10.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.843 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.428 ' HD2' HG22 ' A' ' 96' ' ' ILE . 40.8 mtp85 -39.34 -44.13 1.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -71.18 -42.38 58.17 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.531 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.452 ' O ' ' C ' ' A' ' 103' ' ' ASP . 72.8 mmm -69.33 -22.61 63.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.807 0.336 . . . . 0.0 110.9 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 102' ' ' MET . 2.7 t0 -34.04 -46.95 0.25 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.404 ' O ' HG22 ' A' ' 108' ' ' THR . . . -54.97 -56.86 20.96 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.471 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.565 ' HB3' HD21 ' A' ' 115' ' ' LEU . 40.2 mt -49.18 -36.49 19.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.876 0.37 . . . . 0.0 110.927 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.647 ' CZ ' ' NH1' ' A' ' 99' ' ' ARG . 71.7 m-85 -64.82 -34.08 77.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -83.26 -54.6 4.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.404 HG22 ' O ' ' A' ' 104' ' ' GLY . 9.7 t -66.21 -33.51 75.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.15 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 105' ' ' LEU . 1.0 OUTLIER -103.6 124.0 48.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.854 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 15.3 tptm -61.58 -47.0 87.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 37.4 p -70.63 136.73 49.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.449 ' HA ' HD12 ' A' ' 115' ' ' LEU . 5.0 p30 -116.84 -35.15 4.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 43.8 mmtt -44.91 -49.45 11.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.557 ' CE1' ' HG ' ' A' ' 115' ' ' LEU . 16.8 p-80 -58.92 -37.5 76.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.565 HD21 ' HB3' ' A' ' 105' ' ' LEU . 88.1 mt -63.1 -42.69 99.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.909 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.579 ' CH2' ' HA ' ' A' ' 136' ' ' THR . 21.4 m95 -57.52 -58.89 6.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.949 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.456 ' HG3' ' N ' ' A' ' 118' ' ' GLN . 8.1 pt-20 -51.3 -35.47 37.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.456 ' N ' ' HG3' ' A' ' 117' ' ' GLU . 18.2 mt-30 -61.75 -43.59 98.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.883 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 80.9 mt -59.81 -50.96 78.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 13.7 t -55.06 -56.58 18.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.817 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 23.0 t -53.13 -45.43 68.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 44.8 mttm -60.34 -54.34 46.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 37.2 mmm -46.26 -57.16 4.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.842 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 24.0 ttp180 -48.35 -48.41 36.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -56.35 -43.1 78.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.856 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.435 ' HE2' ' N ' ' A' ' 126' ' ' LYS . 0.0 OUTLIER -67.48 -48.91 65.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 150.7 34.33 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.521 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.587 ' CD1' ' HG2' ' A' ' 91' ' ' GLU . 43.3 m-85 -142.15 105.13 4.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.866 0.365 . . . . 0.0 110.869 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -89.87 95.7 10.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.584 ' HD3' ' CZ2' ' A' ' 87' ' ' TRP . 6.9 mmp_? -139.77 130.09 25.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 19.4 m -52.6 152.8 6.18 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.664 0.745 . . . . 0.0 110.824 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -34.69 14.07 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.704 2.269 . . . . 0.0 112.32 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 1.6 p -67.15 -39.3 86.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.179 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 72.5 mmm -57.38 -39.29 75.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 56.8 m -70.34 -40.48 74.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.579 ' HA ' ' CH2' ' A' ' 116' ' ' TRP . 52.7 m -56.29 -52.43 64.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.157 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -67.57 -44.04 79.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 44.9 tptt -56.96 -46.54 82.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 72.5 t-105 -57.69 -50.37 73.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 27.6 mtp180 -51.72 -45.0 63.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -58.63 -43.06 89.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.441 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 87.3 mt -58.18 -41.98 85.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 41.0 mt -60.68 -40.8 93.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.939 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.08 -51.93 65.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -65.68 -36.43 83.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.441 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 5.8 m-85 -57.0 -40.73 77.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -60.67 -63.65 1.22 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 7.2 ptmm? -56.75 -41.62 77.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.914 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -71.58 174.61 6.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -63.09 171.32 2.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -83.44 168.86 16.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.838 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 17.4 t60 -125.11 145.16 50.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -60.01 147.85 37.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.861 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -85.59 178.55 7.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -110.11 154.6 16.5 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.501 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 18.2 p-10 -103.98 17.75 23.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.853 0.358 . . . . 0.0 110.879 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -95.05 145.5 17.75 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.498 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 46.4 t -123.1 124.21 42.58 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.878 0.371 . . . . 0.0 110.89 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -82.71 -53.84 5.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -40.68 108.12 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.927 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 5.0 ptm -111.61 175.47 5.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 11.7 t -57.41 95.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.829 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -100.71 148.28 25.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . 0.636 ' CD1' ' C ' ' A' ' 164' ' ' TYR . 0.2 OUTLIER -116.56 149.96 38.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.894 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -175.41 138.37 0.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.872 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.963 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.435 ' HE3' ' N ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.85 0.357 . . . . 0.0 110.916 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 17.4 mtmm -158.59 161.01 37.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.3 mtp85 -85.81 79.14 9.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -172.65 -175.92 1.4 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.104 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -69.19 86.85 0.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.429 HG22 ' N ' ' A' ' 87' ' ' TRP . 22.7 m -130.16 156.5 44.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.429 ' N ' HG22 ' A' ' 86' ' ' THR . 42.5 m95 -61.22 150.7 33.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.425 HG23 ' H ' ' A' ' 91' ' ' GLU . 5.8 m -106.31 143.81 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 88' ' ' VAL . 31.2 tt0 -36.77 -52.5 0.91 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.96 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -47.08 -67.84 0.24 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.468 ' HG2' ' CD1' ' A' ' 128' ' ' PHE . 48.0 mt-10 -52.59 -60.44 3.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.906 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 15.4 m -40.73 -49.35 3.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.133 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.6 -52.86 63.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.1 t -54.83 -42.88 72.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 14.2 tp -63.6 -63.29 1.22 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 69.2 mt -42.77 -44.77 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 6.5 tpt -63.32 -60.81 2.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -46.21 -43.68 15.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.635 ' NH1' ' CZ ' ' A' ' 106' ' ' PHE . 10.8 tpt180 -61.69 -42.86 99.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.864 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 28.1 mtt-85 -65.31 -54.17 32.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -56.55 -24.03 45.32 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.486 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 46.9 mtp -97.41 -12.93 22.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.78 0.324 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.412 ' OD1' ' C ' ' A' ' 103' ' ' ASP . 0.1 OUTLIER -40.77 -44.96 2.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.896 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.411 ' N ' ' OD1' ' A' ' 103' ' ' ASP . . . -37.76 -48.58 1.87 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.476 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.455 HD13 ' CD2' ' A' ' 115' ' ' LEU . 23.1 mt -63.82 -56.05 18.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.841 0.353 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.635 ' CZ ' ' NH1' ' A' ' 99' ' ' ARG . 79.5 m-85 -47.45 -47.89 26.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 14.4 m-20 -45.1 -38.25 4.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.2 t -148.05 106.0 3.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.185 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 10.8 t -167.76 142.28 3.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 10.3 tptp -54.71 -49.15 71.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 4.2 t -126.98 177.63 6.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.436 ' O ' ' N ' ' A' ' 115' ' ' LEU . 1.0 OUTLIER -129.47 -39.01 1.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -38.34 -46.53 1.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.571 ' CE1' ' HG ' ' A' ' 115' ' ' LEU . 27.5 p-80 -60.45 -42.63 96.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.571 ' HG ' ' CE1' ' A' ' 114' ' ' HIS . 90.3 mt -56.48 -46.52 80.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.947 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.602 ' CZ2' ' NH1' ' A' ' 99' ' ' ARG . 77.6 m95 -57.41 -46.57 83.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.932 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -53.51 -41.38 66.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -61.5 -48.74 79.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.935 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 88.0 mt -57.37 -55.3 21.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 76.8 p -48.51 -53.41 18.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.824 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 31.2 t -51.99 -57.93 8.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 16.2 mttm -45.62 -63.74 0.89 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 34.4 mmm -39.71 -57.05 1.6 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 30.3 mtm180 -44.95 -42.59 8.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -69.01 -48.24 63.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.859 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.459 ' HD2' ' N ' ' A' ' 126' ' ' LYS . 7.6 mmmt -52.33 -39.34 60.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 136.02 30.01 0.33 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.508 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.468 ' CD1' ' HG2' ' A' ' 91' ' ' GLU . 27.8 m-85 -140.44 106.57 5.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.846 0.355 . . . . 0.0 110.909 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -87.83 103.67 15.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 10.2 mmp_? -142.07 130.6 22.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . 0.404 ' HB2' ' CG ' ' A' ' 134' ' ' MET . 6.4 m -50.65 156.49 1.56 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.635 0.731 . . . . 0.0 110.847 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -50.77 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.651 2.234 . . . . 0.0 112.333 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -56.52 -34.93 67.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.161 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . 0.404 ' CG ' ' HB2' ' A' ' 131' ' ' SER . 79.6 mmm -54.14 -54.93 32.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 99.6 m -60.29 -36.53 78.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.848 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 5.4 m -59.26 -54.71 43.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -66.21 -50.14 64.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 24.4 tptt -51.87 -43.89 63.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.571 ' CH2' ' HG2' ' A' ' 99' ' ' ARG . 73.0 t-105 -58.5 -54.0 52.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 18.7 mtp85 -46.43 -44.07 16.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -63.58 -39.43 94.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.591 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 32.1 mt -60.59 -31.53 70.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.498 HD21 ' CE2' ' A' ' 139' ' ' TRP . 26.6 mt -74.73 -38.89 62.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 18.3 tptp -69.54 -28.05 65.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.896 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . 0.536 ' OE2' ' CG ' ' A' ' 146' ' ' PHE . 2.0 pp20? -91.75 -34.56 14.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.591 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 2.6 m-85 -59.11 -46.26 88.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 8.6 ptmm? -68.08 -56.82 7.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.42 28.99 0.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.946 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -51.64 -175.0 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 9.3 ptmt -71.48 66.96 0.5 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.895 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.45 ' O ' ' C ' ' A' ' 152' ' ' HIS . 9.3 m170 -133.87 178.23 7.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . 0.45 ' C ' ' O ' ' A' ' 151' ' ' HIS . 0.2 OUTLIER -34.45 102.82 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.813 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 6.4 p30 -173.93 176.27 2.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 32.1 ttp180 -113.61 128.83 56.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 172.92 111.9 0.27 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.435 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -99.19 -41.19 7.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.876 0.37 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 98.28 -138.11 13.68 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.544 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 31.4 p -161.97 160.63 27.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.872 0.368 . . . . 0.0 110.831 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -95.92 -60.88 1.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.083 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -45.79 130.59 9.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 30.7 mtm -114.12 -61.46 1.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . 0.455 ' O ' ' CG ' ' A' ' 163' ' ' TYR . 4.4 t -170.86 169.95 6.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' TYR . . . . . 0.455 ' CG ' ' O ' ' A' ' 162' ' ' SER . 21.4 m-85 -164.51 108.23 0.92 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -109.45 -10.1 14.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.939 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 18.2 tttm -96.83 151.96 19.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.88 179.936 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.854 0.359 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 21.8 mmmt -106.62 92.96 4.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 4.8 tpp85 -62.07 124.43 20.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -114.04 129.53 56.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.09 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -101.85 -33.94 9.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.9 m -48.82 -53.44 19.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.103 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 20.2 m95 -109.5 121.75 45.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.551 HG23 ' H ' ' A' ' 91' ' ' GLU . 32.6 m -73.34 157.57 6.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -50.62 -50.8 53.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.18 -66.44 0.39 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.551 ' H ' HG23 ' A' ' 88' ' ' VAL . 48.9 mt-10 -51.24 -59.39 4.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 59.8 m -42.35 -55.16 3.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.149 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -61.12 -44.59 97.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.821 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.52 ' O ' ' CD2' ' A' ' 98' ' ' PHE . 47.7 m -55.25 -45.29 76.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 96' ' ' ILE . 24.2 tp -63.21 -65.0 0.75 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.869 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.416 ' C ' ' O ' ' A' ' 95' ' ' LEU . 60.8 mt -36.68 -59.44 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 8.5 tpt -51.29 -57.21 9.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.52 ' CD2' ' O ' ' A' ' 94' ' ' SER . 13.0 m-85 -45.95 -41.59 11.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.547 ' HG2' ' CH2' ' A' ' 139' ' ' TRP . 36.7 tpt85 -66.88 -40.33 87.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.875 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 -57.24 -43.35 82.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -70.8 -42.24 61.58 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.513 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 72.6 mmm -70.14 -21.8 63.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.825 0.345 . . . . 0.0 110.926 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -40.96 -55.6 2.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.826 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -40.3 -47.82 3.62 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.492 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.476 ' HB3' HD21 ' A' ' 115' ' ' LEU . 54.0 mt -57.25 -54.68 44.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.883 0.373 . . . . 0.0 110.899 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.655 ' CD1' HD13 ' A' ' 115' ' ' LEU . 75.5 m-85 -44.59 -38.64 4.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -75.12 -49.54 19.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.485 HG23 ' O ' ' A' ' 108' ' ' THR . 7.3 t -91.29 34.52 0.94 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 7.5 p -151.18 134.21 15.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.873 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 26.5 tptt -72.56 -43.43 63.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.1 t -95.51 142.48 27.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.497 ' O ' ' N ' ' A' ' 115' ' ' LEU . 13.2 p-10 -115.46 -38.22 3.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 112' ' ' ASN . 14.1 mmtm -37.17 -44.99 0.59 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.536 ' CE1' ' HG ' ' A' ' 115' ' ' LEU . 8.0 p-80 -61.36 -41.26 96.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.871 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.655 HD13 ' CD1' ' A' ' 106' ' ' PHE . 89.7 mt -59.77 -36.73 77.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.942 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 13.4 m95 -64.14 -57.27 10.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.935 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.418 ' CG ' ' O ' ' A' ' 114' ' ' HIS . 8.6 pt-20 -52.75 -29.39 26.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.855 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -70.13 -45.91 65.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.96 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 65.3 mt -57.68 -46.02 86.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 59.8 p -57.48 -54.04 51.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 64.8 m -49.42 -50.45 40.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 33.9 mttm -50.35 -60.72 2.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 39.6 mmm -42.22 -63.28 0.77 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.872 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.497 ' HD3' ' CB ' ' A' ' 129' ' ' ASP . 2.7 mmm180 -39.13 -45.57 1.32 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.813 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -65.37 -51.79 58.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.44 -46.41 73.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.445 ' O ' ' CD1' ' A' ' 128' ' ' PHE . . . 144.11 32.58 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.498 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.527 ' CD1' ' HG2' ' A' ' 91' ' ' GLU . 31.1 m-85 -143.53 105.58 4.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.824 0.345 . . . . 0.0 110.855 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.497 ' CB ' ' HD3' ' A' ' 124' ' ' ARG . 15.0 p-10 -85.02 98.59 10.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.454 ' HA ' ' NE ' ' A' ' 130' ' ' ARG . 4.8 mmp_? -136.1 125.62 25.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.3 m -54.95 160.03 3.31 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.69 0.757 . . . . 0.0 110.866 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -50.88 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.669 2.246 . . . . 0.0 112.339 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 1.2 p -51.44 -45.57 62.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.183 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 98.1 mmm -50.97 -46.19 61.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 96.7 m -64.72 -39.63 93.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 86.4 m -59.32 -56.68 18.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.171 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -62.93 -56.04 20.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 25.5 tptt -47.83 -49.79 28.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.547 ' CH2' ' HG2' ' A' ' 99' ' ' ARG . 68.9 t-105 -52.34 -55.13 23.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.927 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . 0.431 ' NH1' ' HB3' ' A' ' 140' ' ' ARG . 6.3 mtp-105 -47.2 -44.21 22.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.861 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -60.62 -41.85 95.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.589 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 51.0 mt -58.36 -33.9 70.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.94 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.465 HD21 ' CE2' ' A' ' 139' ' ' TRP . 23.5 mt -69.28 -44.52 71.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.86 -42.86 94.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . 0.482 ' OE2' ' CG ' ' A' ' 146' ' ' PHE . 3.1 pp20? -73.26 -34.42 65.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.589 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 2.4 m-85 -62.58 -40.55 97.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -58.25 -52.6 64.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 23.0 mttm -41.43 -52.41 3.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 150' ' ' LYS . . . -44.91 170.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.086 179.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 149' ' ' ALA . 17.4 pttp -34.69 -42.83 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.419 ' C ' ' O ' ' A' ' 150' ' ' LYS . 13.8 m-70 -36.92 109.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.888 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -97.25 149.37 22.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.863 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -160.43 122.57 3.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 7.2 mmm180 -95.6 166.19 11.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -133.41 175.23 20.3 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.47 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 26.1 m120 -106.48 -41.56 5.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.849 0.357 . . . . 0.0 110.917 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 66.04 -176.03 17.71 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.473 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 48.9 m -139.78 115.27 9.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.866 0.365 . . . . 0.0 110.927 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -100.43 -44.19 5.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.126 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 5.2 ttpm? -39.3 143.24 0.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.868 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 44.3 mtt -123.28 162.53 22.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . 0.429 ' O ' ' CG ' ' A' ' 163' ' ' TYR . 24.4 p -113.59 165.9 12.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.849 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' TYR . . . . . 0.429 ' CG ' ' O ' ' A' ' 162' ' ' SER . 7.9 m-85 -170.16 154.71 5.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . 0.648 ' CD1' ' C ' ' A' ' 164' ' ' TYR . 0.0 OUTLIER -172.42 154.41 3.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.984 -179.923 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . 0.51 ' N ' ' CD1' ' A' ' 164' ' ' TYR . 5.8 tptp -173.14 132.9 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.986 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 35.7 mtpt . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.867 0.365 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.4 mtpp -81.98 87.27 6.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.471 ' CZ ' ' HB2' ' A' ' 83' ' ' ARG . 23.0 mtm105 -109.15 155.36 21.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.829 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -117.11 36.42 4.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.108 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -75.61 86.94 2.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -128.01 -38.97 1.79 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.159 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 14.8 m95 -101.88 157.5 16.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.44 HG23 ' H ' ' A' ' 91' ' ' GLU . 13.9 m -108.78 150.45 11.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.099 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -37.12 -53.56 1.01 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -48.92 -60.28 2.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.44 ' H ' HG23 ' A' ' 88' ' ' VAL . 53.6 mt-10 -63.37 -62.14 1.88 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.587 HG22 ' CD1' ' A' ' 96' ' ' ILE . 19.5 m -40.33 -56.1 2.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.137 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.87 -47.47 71.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.8 t -54.14 -49.72 68.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.8 tp -63.05 -62.35 1.77 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.587 ' CD1' HG22 ' A' ' 92' ' ' THR . 63.4 mt -39.71 -63.88 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.181 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 11.7 tpt -44.68 -59.18 2.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -47.22 -44.36 22.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.527 ' HG2' ' CE2' ' A' ' 139' ' ' TRP . 29.8 tpt85 -63.78 -51.23 65.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.847 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 57.1 mtp85 -47.46 -35.06 8.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -75.59 -48.63 10.17 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.491 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 69.4 mmm -69.45 -10.78 59.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.78 0.324 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 104' ' ' GLY . 5.0 t0 -43.82 -59.82 2.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 103' ' ' ASP . . . -35.86 -36.94 0.14 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.479 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.483 HD13 ' CD2' ' A' ' 115' ' ' LEU . 18.8 mt -72.77 -59.03 2.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.813 0.339 . . . . 0.0 110.912 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.459 ' CE2' ' HB2' ' A' ' 112' ' ' ASN . 71.3 m-85 -40.49 -45.04 2.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -48.23 -53.86 15.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.569 HG23 ' O ' ' A' ' 108' ' ' THR . 6.1 t -109.09 80.67 1.34 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.119 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.8 t -174.56 120.13 0.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.86 -67.29 0.28 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.931 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 14.7 m -113.45 132.32 55.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.459 ' HB2' ' CE2' ' A' ' 106' ' ' PHE . 3.6 p30 -86.45 22.29 1.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.63 -68.54 0.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.425 ' CE1' ' HG ' ' A' ' 115' ' ' LEU . 42.4 p-80 -51.41 -40.11 58.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.483 ' CD2' HD13 ' A' ' 105' ' ' LEU . 97.6 mt -56.05 -53.79 52.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.575 ' CZ2' ' HA ' ' A' ' 136' ' ' THR . 37.3 m95 -52.33 -47.47 66.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -50.62 -47.26 58.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.83 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -58.58 -58.25 9.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 79.3 mt -52.95 -62.63 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -46.12 -54.1 9.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 47.6 t -50.01 -57.01 8.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.804 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.403 ' O ' ' N ' ' A' ' 125' ' ' GLU . 35.6 mttt -47.64 -58.74 3.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.89 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 23.5 mmm -40.39 -56.48 2.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -53.63 -34.14 57.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.822 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 122' ' ' LYS . 33.2 mt-10 -71.45 -42.66 67.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.46 ' HD2' ' N ' ' A' ' 126' ' ' LYS . 6.8 mmmm -57.45 -52.94 63.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.423 ' O ' ' CD1' ' A' ' 128' ' ' PHE . . . 153.37 33.69 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.423 ' CD1' ' O ' ' A' ' 127' ' ' GLY . 34.0 m-85 -143.69 106.5 4.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.909 0.385 . . . . 0.0 110.831 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -82.22 105.29 13.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.837 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 19.6 mmt180 -142.37 140.02 31.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 4.3 m -63.32 158.38 57.4 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.664 0.745 . . . . 0.0 110.872 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -50.65 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.64 2.227 . . . . 0.0 112.32 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 15.6 p -50.63 -42.75 56.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.177 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 80.9 mmm -50.28 -45.23 54.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 78.6 m -67.12 -36.41 81.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.575 ' HA ' ' CZ2' ' A' ' 116' ' ' TRP . 83.0 m -63.96 -53.68 46.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.103 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -70.51 -48.84 53.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.867 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 27.8 tptt -52.8 -43.43 65.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.561 ' CE2' HD21 ' A' ' 143' ' ' LEU . 69.4 t-105 -61.37 -56.01 25.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 16.2 mtp180 -44.27 -42.48 6.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -61.59 -50.45 72.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 42.9 mt -47.19 -46.37 23.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.561 HD21 ' CE2' ' A' ' 139' ' ' TRP . 18.7 mt -58.79 -52.14 67.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 42.3 tttt -45.38 -45.45 12.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 -74.15 -48.8 26.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -45.04 -36.84 3.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 8.9 tptm -70.74 -54.54 11.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 23.4 mtmm -87.95 28.07 1.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -58.37 87.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.061 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 14.6 tptm -97.76 134.18 41.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -123.14 137.19 54.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 15.3 m170 -89.5 126.84 35.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 13.9 p30 -54.5 150.06 9.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -48.89 107.03 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 177.49 -168.83 40.69 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.477 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -101.21 -40.52 7.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.854 0.359 . . . . 0.0 110.861 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 66.95 -164.82 42.92 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.479 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 73.6 m -118.4 41.35 2.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.855 0.36 . . . . 0.0 110.873 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -75.14 -60.79 2.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.115 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.414 ' C ' ' HD3' ' A' ' 160' ' ' LYS . 5.5 tmtm? -67.48 -46.99 71.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 3.6 tpp -44.07 117.57 1.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 86.5 p -163.61 163.51 24.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.831 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 34.3 p90 -57.77 123.9 17.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.907 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -100.95 160.41 14.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.961 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . 0.444 ' CD ' ' H ' ' A' ' 165' ' ' LYS . 0.0 OUTLIER -75.72 135.73 40.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 179.988 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 10.0 mptt . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.854 0.359 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -55.6 -46.77 77.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.921 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.4 tpp180 70.79 40.42 0.97 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -170.25 140.19 1.86 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -114.1 -34.65 5.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.855 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 92.0 m -96.05 -38.49 10.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 14.1 m95 -98.46 160.2 14.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.55 HG23 ' H ' ' A' ' 91' ' ' GLU . 34.5 m -113.12 154.65 14.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -42.86 -50.19 5.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.27 -63.93 0.98 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.55 ' H ' HG23 ' A' ' 88' ' ' VAL . 40.6 mt-10 -54.65 -62.16 1.84 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.484 HG22 HD11 ' A' ' 96' ' ' ILE . 62.3 m -39.51 -60.32 0.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.16 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.646 ' HA ' HD12 ' A' ' 96' ' ' ILE . 4.7 tpp85 -51.97 -52.55 49.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 15.7 t -45.37 -44.91 12.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.824 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 27.0 tp -69.13 -47.14 65.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.646 HD12 ' HA ' ' A' ' 93' ' ' ARG . 67.1 mt -49.94 -59.37 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.156 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.75 -60.76 2.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -46.33 -37.34 7.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.871 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.638 ' NH1' ' CE2' ' A' ' 106' ' ' PHE . 6.5 tpt180 -68.3 -52.92 28.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 76.7 mtp180 -44.69 -49.62 10.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -63.63 -41.36 99.1 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.472 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.419 ' O ' ' C ' ' A' ' 103' ' ' ASP . 65.9 mmm -70.03 -22.38 63.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.783 0.325 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 102' ' ' MET . 34.2 t70 -36.98 -61.35 0.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 103' ' ' ASP . . . -37.33 -44.16 1.12 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.502 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.496 ' HA ' HG22 ' A' ' 108' ' ' THR . 16.2 mt -62.92 -56.29 18.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.798 0.332 . . . . 0.0 110.893 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.638 ' CE2' ' NH1' ' A' ' 99' ' ' ARG . 67.7 m-85 -41.23 -44.89 2.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -61.36 -49.72 75.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.497 HG23 ' O ' ' A' ' 108' ' ' THR . 12.3 t -81.65 39.6 0.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.151 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 39.9 t -170.74 129.24 0.8 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.836 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -60.68 3.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 49.3 p -95.63 151.08 19.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.85 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.459 ' HB2' ' CE2' ' A' ' 106' ' ' PHE . 6.2 p30 -115.28 34.51 4.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.853 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 14.9 mtpt -65.12 -56.0 15.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.405 ' O ' ' CG ' ' A' ' 117' ' ' GLU . 52.7 p-80 -62.7 -40.52 97.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 61.9 mt -59.19 -48.86 80.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.943 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.58 ' CH2' ' HA ' ' A' ' 136' ' ' THR . 8.8 m95 -54.92 -59.45 4.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.405 ' CG ' ' O ' ' A' ' 114' ' ' HIS . 12.0 pt-20 -51.92 -39.31 58.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -59.51 -55.93 28.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.927 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 74.0 mt -46.31 -50.06 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.099 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 13.5 t -52.25 -48.97 64.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.834 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 54.3 m -53.55 -45.59 69.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.842 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 14.7 mtmt -60.26 -33.05 71.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 68.2 mtp -69.79 -42.28 73.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.22 -48.73 77.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.835 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' A' ' 126' ' ' LYS . 6.8 pt-20 -61.31 -35.0 76.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.456 ' HA ' ' CE ' ' A' ' 126' ' ' LYS . 2.4 mmpt? -72.19 -41.28 67.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.929 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 137.72 36.26 0.17 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.469 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.421 ' CD1' ' HG2' ' A' ' 91' ' ' GLU . 34.9 m-85 -142.36 105.16 4.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.854 0.359 . . . . 0.0 110.868 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 15.2 p-10 -85.1 98.38 10.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -138.68 150.49 46.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 41.6 m -76.27 155.41 84.11 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.667 0.746 . . . . 0.0 110.864 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -38.93 7.2 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.634 2.223 . . . . 0.0 112.37 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -64.92 -32.29 73.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . 0.475 ' HA ' ' CE ' ' A' ' 134' ' ' MET . 1.2 mmt -64.14 -46.05 85.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 62.9 m -63.66 -39.6 94.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.865 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.58 ' HA ' ' CH2' ' A' ' 116' ' ' TRP . 74.1 m -57.68 -58.21 9.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.097 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -62.92 -47.89 81.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -52.17 -47.56 65.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.579 ' CH2' ' HG2' ' A' ' 99' ' ' ARG . 72.4 t-105 -55.4 -52.72 62.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.947 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 67.8 mtt180 -48.3 -40.32 24.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 19.9 t30 -63.21 -47.11 83.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 139' ' ' TRP . 40.5 mt -52.77 -45.16 67.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.46 HD21 ' CE2' ' A' ' 139' ' ' TRP . 24.7 mt -57.93 -50.69 72.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 5.9 tppt? -48.42 -43.89 34.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -73.36 -44.62 58.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -50.57 -32.96 20.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp -75.17 -39.15 60.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 31.5 mtpt -93.39 27.97 2.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -70.02 -178.91 1.72 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.107 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 151' ' ' HIS . 12.4 pttm -37.51 -45.39 0.73 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.923 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.44 ' C ' ' O ' ' A' ' 150' ' ' LYS . 5.3 m170 -35.27 140.47 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -48.83 -68.59 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -166.78 131.0 2.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.864 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.12 41.33 2.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 175.84 -140.88 5.36 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.515 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -79.16 -41.43 28.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.885 0.374 . . . . 0.0 110.899 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 66.34 -112.59 5.03 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.464 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 55.0 m 58.49 43.56 19.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.832 0.349 . . . . 0.0 110.822 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -82.02 -48.9 10.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.096 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -41.49 126.44 2.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.844 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 17.6 ttp -127.07 150.98 49.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 65.1 m -97.84 168.27 10.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 14.3 p90 -131.9 168.12 18.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -99.81 167.95 10.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.887 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -85.6 177.08 7.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.911 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.931 179.959 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 8.2 mptt . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.864 0.364 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 21.3 mtpt -101.82 79.68 1.94 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 18.6 ttm180 -155.88 120.83 4.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.834 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -83.03 100.91 10.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.076 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -89.46 85.76 6.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 55.6 m -107.82 141.54 39.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.151 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 22.6 m95 -83.95 145.55 28.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.578 HG22 ' OE1' ' A' ' 91' ' ' GLU . 25.0 m -102.24 151.57 5.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.075 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 88' ' ' VAL . 40.4 tt0 -37.1 -61.93 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -44.12 -70.02 0.12 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.578 ' OE1' HG22 ' A' ' 88' ' ' VAL . 46.8 mt-10 -42.13 -65.78 0.42 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.9 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 23.1 m -45.06 -37.84 4.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.158 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 43.2 mtt180 -76.49 -30.64 57.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.408 ' O ' ' CD1' ' A' ' 98' ' ' PHE . 5.8 p -66.11 -38.34 87.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 37.9 tp -75.01 -47.81 27.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 53.7 mt -47.27 -52.31 5.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 57.6 mtp -65.13 -46.27 81.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.408 ' CD1' ' O ' ' A' ' 94' ' ' SER . 6.0 m-30 -51.54 -42.38 61.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.895 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.51 ' NH1' ' NE1' ' A' ' 139' ' ' TRP . 9.2 tpt180 -76.82 -39.63 50.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 59.8 mtp180 -61.82 -29.89 70.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -86.61 -32.5 15.53 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.55 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 44.8 mtp -82.61 -15.86 50.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.766 0.317 . . . . 0.0 110.856 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 104' ' ' GLY . 0.7 OUTLIER -38.19 -53.05 1.46 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 103' ' ' ASP . . . -35.97 -43.89 0.69 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.506 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 25.8 mt -65.59 -57.02 9.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.844 0.354 . . . . 0.0 110.912 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.463 ' CD2' HD13 ' A' ' 115' ' ' LEU . 70.3 m-85 -43.72 -39.39 3.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 44.3 m-20 -66.28 -43.18 87.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.646 HG23 ' O ' ' A' ' 108' ' ' THR . 8.4 t -124.19 85.36 2.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.8 m -157.15 141.35 16.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -5.2 5.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.9 m -168.99 -178.05 3.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.416 ' O ' ' N ' ' A' ' 115' ' ' LEU . 0.7 OUTLIER -132.21 -38.69 1.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 -179.934 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -42.05 -42.81 3.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.401 ' NE2' ' HG ' ' A' ' 115' ' ' LEU . 22.8 p-80 -64.03 -37.65 88.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.812 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.463 HD13 ' CD2' ' A' ' 106' ' ' PHE . 80.5 mt -61.17 -47.92 83.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 68.3 m95 -58.02 -42.51 85.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -59.09 -40.03 84.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -59.13 -55.26 37.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 51.6 mt -49.79 -42.75 18.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.116 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.9 t -54.41 -61.51 2.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.6 t -47.71 -44.03 27.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 123' ' ' MET . 60.3 mttm -60.19 -64.47 0.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . 0.405 ' C ' ' O ' ' A' ' 122' ' ' LYS . 82.9 mmm -37.21 -38.27 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 70.5 mtt180 -64.77 -52.55 56.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.471 ' CG ' ' HE2' ' A' ' 126' ' ' LYS . 3.6 pt-20 -62.4 -25.81 68.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.471 ' HE2' ' CG ' ' A' ' 125' ' ' GLU . 15.4 mmtt -81.18 17.55 1.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 76.11 14.32 82.38 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.502 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -122.71 103.79 8.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.854 0.359 . . . . 0.0 110.835 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -87.67 102.3 14.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -142.28 144.09 33.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.0 m -68.64 160.57 76.27 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.648 0.737 . . . . 0.0 110.863 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -43.1 2.83 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.632 2.221 . . . . 0.0 112.336 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -61.37 -35.65 78.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.122 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 99.2 mmm -58.21 -51.58 69.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 69.6 m -58.39 -41.06 84.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 85.7 m -58.5 -62.19 2.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -60.61 -42.19 96.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 21.0 tptt -56.27 -46.63 79.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.547 ' NE1' HD11 ' A' ' 143' ' ' LEU . 45.2 t-105 -56.99 -49.92 74.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.949 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -52.06 -44.3 64.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.823 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -62.23 -38.35 88.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.558 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 32.5 mt -60.8 -35.51 76.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.547 HD11 ' NE1' ' A' ' 139' ' ' TRP . 15.8 mt -70.81 -38.23 73.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 20.1 mmtt -70.14 -39.47 75.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.952 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -77.61 -27.2 51.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.558 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 2.5 m-85 -71.32 -42.04 69.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 18.1 tptp -54.35 -49.36 69.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.953 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 46.1 mmtt -40.39 -53.01 2.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -53.06 173.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.088 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.24 178.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -81.96 132.77 35.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 48.4 m-70 -122.91 162.94 21.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -44.16 100.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 12.5 ptt-85 -111.5 164.64 12.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -98.94 139.38 14.42 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.508 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -81.47 -41.84 21.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.909 0.385 . . . . 0.0 110.904 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 86.19 154.14 23.84 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.453 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 14.1 m -149.16 168.01 24.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.87 0.367 . . . . 0.0 110.827 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -96.88 -56.91 2.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.061 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 8.5 tppt? 63.39 43.42 6.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 15.0 mtt 42.1 42.53 2.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.836 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 3.1 t -77.63 122.61 25.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.831 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -132.91 146.55 51.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.918 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . 0.549 ' C ' ' CD1' ' A' ' 164' ' ' TYR . 0.4 OUTLIER -91.06 157.06 17.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.937 -179.891 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . 0.426 ' HD3' ' N ' ' A' ' 166' ' ' GLU . 3.7 tmtp? -173.92 116.1 0.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.934 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . 0.426 ' N ' ' HD3' ' A' ' 165' ' ' LYS . 16.4 tp10 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.875 0.369 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -85.44 146.82 26.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.8 ptt180 -117.92 154.82 31.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -124.63 168.62 12.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.088 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -96.23 -34.31 11.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.921 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 6.7 p -75.6 -29.35 59.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.141 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 19.9 m95 -119.95 130.41 54.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.948 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.584 HG22 ' OE1' ' A' ' 91' ' ' GLU . 34.5 m -90.54 145.54 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.124 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.431 ' HG3' ' N ' ' A' ' 90' ' ' ASP . 17.7 pt20 -37.18 -50.77 0.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.431 ' N ' ' HG3' ' A' ' 89' ' ' GLN . 0.9 OUTLIER -49.92 -51.18 42.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.584 ' OE1' HG22 ' A' ' 88' ' ' VAL . 35.0 mt-10 -66.79 -67.74 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 91' ' ' GLU . 75.1 m -36.91 -53.16 0.95 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.148 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.5 ttt85 -56.83 -57.67 11.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 41.2 t -44.81 -39.39 5.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 16.6 tp -69.24 -62.31 1.43 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.926 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 66.8 mt -41.41 -53.0 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 60.8 mtp -57.36 -53.1 61.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.502 ' HB3' HG23 ' A' ' 119' ' ' ILE . 4.1 m-85 -49.65 -45.1 48.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.528 ' NH2' ' CD1' ' A' ' 106' ' ' PHE . 0.0 OUTLIER -66.9 -43.84 82.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 47.5 mtp180 -56.36 -40.57 74.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -69.63 -40.65 77.16 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.463 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.439 ' O ' ' C ' ' A' ' 103' ' ' ASP . 38.8 mmm -74.59 -14.91 60.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.789 0.328 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 102' ' ' MET . 6.9 t70 -35.45 -53.22 0.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.657 ' O ' HG22 ' A' ' 108' ' ' THR . . . -50.07 -52.7 25.79 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.492 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 28.8 mt -54.89 -51.39 66.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.817 0.341 . . . . 0.0 110.875 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.528 ' CD1' ' NH2' ' A' ' 99' ' ' ARG . 37.6 m-85 -51.75 -42.01 62.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -67.13 -53.91 26.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.657 HG22 ' O ' ' A' ' 104' ' ' GLY . 1.8 t -95.4 72.78 3.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.099 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 37.3 t -166.49 159.77 14.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.862 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.42 -38.73 11.29 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.921 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.5 p -117.19 162.47 17.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.41 ' O ' ' N ' ' A' ' 115' ' ' LEU . 2.8 p30 -125.95 -26.7 3.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.03 -47.41 3.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.898 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 40.9 p-80 -66.27 -35.66 80.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.489 HD13 ' CD1' ' A' ' 106' ' ' PHE . 27.1 mt -64.48 -34.36 78.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.419 ' CH2' ' HA ' ' A' ' 136' ' ' THR . 49.7 m95 -71.78 -60.97 1.96 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -46.03 -36.5 5.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -65.01 -60.11 3.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.502 HG23 ' HB3' ' A' ' 98' ' ' PHE . 88.8 mt -43.32 -46.28 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 77.4 p -59.61 -44.05 93.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 26.3 m -62.94 -42.34 99.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.822 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -58.44 -44.13 89.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.927 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 91.0 mtp -58.53 -58.25 9.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 69.8 mtt180 -45.56 -44.91 13.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -51.47 -41.56 60.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.896 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.404 ' HE2' ' N ' ' A' ' 126' ' ' LYS . 0.1 OUTLIER -72.55 -42.11 65.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.925 179.93 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 143.01 43.31 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.471 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -140.45 106.66 5.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.893 0.378 . . . . 0.0 110.864 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -90.81 95.3 10.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 31.6 mmt-85 -141.24 124.48 16.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.0 m -50.24 160.88 0.64 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.699 0.762 . . . . 0.0 110.828 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -40.28 5.47 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.679 2.253 . . . . 0.0 112.321 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -55.83 -40.91 73.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.089 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 76.3 mmm -55.36 -55.79 27.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 95.4 m -55.52 -31.68 62.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.419 ' HA ' ' CH2' ' A' ' 116' ' ' TRP . 97.9 m -67.04 -61.51 1.9 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.167 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -61.18 -49.28 77.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 15.6 tptm -52.34 -53.61 42.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.559 ' CZ2' HD21 ' A' ' 143' ' ' LEU . 65.6 t-105 -47.99 -56.96 6.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.926 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -46.96 -46.75 21.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.836 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -62.3 -41.36 98.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.589 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 30.9 mt -56.79 -34.98 68.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.559 HD21 ' CZ2' ' A' ' 139' ' ' TRP . 33.6 mt -69.84 -46.87 64.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.458 ' HE3' ' N ' ' A' ' 144' ' ' LYS . 0.5 OUTLIER -63.93 -39.97 95.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 179.829 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . 0.477 ' CG ' ' HA ' ' A' ' 142' ' ' LEU . 1.3 pp20? -75.95 -35.36 59.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.589 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 2.1 m-85 -60.37 -45.26 94.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.925 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 61.0 mttt -56.1 -43.02 77.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 2.6 tppt? -43.11 -49.26 6.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -45.29 118.54 1.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.116 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . 0.523 ' HE3' ' CD2' ' A' ' 151' ' ' HIS . 0.0 OUTLIER -45.74 -42.56 12.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.902 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.523 ' CD2' ' HE3' ' A' ' 150' ' ' LYS . 62.6 m-70 -79.96 98.71 7.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.827 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . 0.451 ' CD2' ' HB3' ' A' ' 154' ' ' ARG . 2.3 t60 -169.43 110.85 0.47 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.817 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -74.61 -48.36 26.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . 0.451 ' HB3' ' CD2' ' A' ' 152' ' ' HIS . 4.9 tmm_? -44.32 147.12 0.59 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . 0.449 ' N ' ' HD2' ' A' ' 154' ' ' ARG . . . 72.39 50.51 15.83 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.525 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -100.93 -40.97 7.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.861 0.363 . . . . 0.0 110.876 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 161.1 138.28 2.39 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 40.0 t -86.13 132.91 33.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.362 . . . . 0.0 110.892 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -69.62 -50.36 45.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.114 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 12.9 tppt? -65.41 130.24 42.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 26.4 ttp -76.26 158.11 31.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 70.2 m -102.08 165.47 11.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -51.25 -27.15 8.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . 0.402 ' CE1' ' HB3' ' A' ' 166' ' ' GLU . 0.3 OUTLIER -108.99 123.55 49.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 -179.928 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.43 36.8 0.6 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . 0.402 ' HB3' ' CE1' ' A' ' 164' ' ' TYR . 22.0 tt0 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.865 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 36.3 mtpt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.828 0.346 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.2 tppm? -163.57 146.27 9.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.4 tpp85 -120.61 46.07 2.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -115.07 94.55 4.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.096 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -93.39 42.06 1.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.901 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 27.9 p -76.94 -43.61 34.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.135 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.481 ' CE3' ' HB3' ' A' ' 91' ' ' GLU . 11.1 m95 -117.08 154.11 31.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.45 ' O ' ' C ' ' A' ' 89' ' ' GLN . 6.1 m -111.09 143.92 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.193 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 88' ' ' VAL . 9.3 pt20 -34.39 -52.58 0.49 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -46.25 -51.35 14.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.481 ' HB3' ' CE3' ' A' ' 87' ' ' TRP . 6.8 mm-40 -68.14 -63.08 1.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 53.8 m -40.14 -55.77 2.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -51.97 -61.89 1.97 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.875 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.5 t -47.91 -46.52 31.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.416 HD13 ' SG ' ' A' ' 135' ' ' CYS . 16.2 tp -56.18 -64.46 0.85 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.744 HG22 ' NE ' ' A' ' 100' ' ' ARG . 82.3 mt -40.14 -52.31 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.528 ' N ' HH21 ' A' ' 100' ' ' ARG . 9.2 tpt -50.41 -57.73 7.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.433 ' CE1' ' HB3' ' A' ' 122' ' ' LYS . 43.2 m-85 -47.39 -43.88 23.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.832 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.556 ' NH2' ' CZ2' ' A' ' 139' ' ' TRP . 4.4 mmm180 -66.02 -40.3 90.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.839 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.744 ' NE ' HG22 ' A' ' 96' ' ' ILE . 56.1 mtm180 -63.13 -55.52 24.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -59.49 -28.83 65.52 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.519 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.4 ' O ' ' C ' ' A' ' 103' ' ' ASP . 31.6 mtp -91.23 -17.04 26.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.761 0.315 . . . . 0.0 110.832 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.468 ' OD1' ' N ' ' A' ' 104' ' ' GLY . 0.3 OUTLIER -37.58 -44.88 0.71 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.847 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.468 ' N ' ' OD1' ' A' ' 103' ' ' ASP . . . -43.64 -46.01 7.17 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.458 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 23.7 mt -71.99 -35.68 69.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.841 0.353 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.633 ' CD1' HD13 ' A' ' 115' ' ' LEU . 32.5 m-85 -63.58 -44.22 94.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -54.91 -37.08 65.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.898 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.457 HG23 ' O ' ' A' ' 108' ' ' THR . 2.8 t -120.99 83.33 2.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.178 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 80.7 p -173.38 116.31 0.26 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.868 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 34.7 tttp -39.19 -55.08 1.71 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 4.0 m -130.36 145.17 51.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.522 ' O ' ' CD1' ' A' ' 116' ' ' TRP . 0.3 OUTLIER -93.23 33.64 1.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 7.5 tppt? -68.89 -62.44 1.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 40.9 p-80 -56.89 -42.84 80.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.864 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.633 HD13 ' CD1' ' A' ' 106' ' ' PHE . 58.9 mt -57.17 -44.69 83.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.522 ' CD1' ' O ' ' A' ' 112' ' ' ASN . 7.4 m95 -57.09 -61.36 2.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.928 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 118' ' ' GLN . 8.0 pt-20 -51.22 -38.2 51.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.872 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.443 ' N ' ' HG3' ' A' ' 117' ' ' GLU . 16.6 mt-30 -60.48 -51.44 69.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 93.9 mt -51.99 -48.35 40.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 30.2 t -53.62 -49.45 67.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 40.4 t -57.47 -51.73 68.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.842 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.433 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 54.9 mttm -48.64 -54.74 13.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 27.3 mmm -46.86 -60.12 2.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.843 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.417 ' HD2' ' C ' ' A' ' 124' ' ' ARG . 1.3 tmm_? -50.25 -49.91 51.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.894 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -53.02 -39.63 63.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.47 ' HE2' ' N ' ' A' ' 126' ' ' LYS . 0.3 OUTLIER -74.33 -61.27 1.92 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.913 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 168.47 31.23 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.486 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.439 ' CD1' ' OE2' ' A' ' 91' ' ' GLU . 25.3 m-85 -139.63 108.88 6.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.836 0.35 . . . . 0.0 110.899 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -94.19 100.95 12.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -141.85 145.74 35.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.8 m -67.38 161.37 65.29 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.678 0.751 . . . . 0.0 110.878 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -37.68 8.88 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.689 2.259 . . . . 0.0 112.33 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 2.1 p -59.11 -48.29 82.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 7.7 mtp -47.62 -53.92 13.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . 0.416 ' SG ' HD13 ' A' ' 95' ' ' LEU . 96.4 m -57.74 -36.79 72.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.929 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.406 ' HA ' ' CH2' ' A' ' 116' ' ' TRP . 97.0 m -63.06 -55.36 26.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -65.82 -55.4 17.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.824 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 42.2 tptt -47.96 -50.27 27.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.654 ' CZ2' HD21 ' A' ' 143' ' ' LEU . 70.9 t-105 -52.5 -53.75 41.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 18.4 mtp85 -46.31 -45.08 17.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 -59.86 -50.3 74.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.499 HD13 HG12 ' A' ' 96' ' ' ILE . 48.3 mt -49.85 -46.96 51.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.928 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.654 HD21 ' CZ2' ' A' ' 139' ' ' TRP . 28.2 mt -56.82 -45.67 82.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.935 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 24.4 mmtm -53.7 -44.07 69.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -72.98 -45.12 59.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -50.74 -41.82 56.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 4.6 tppt? -44.36 -43.56 7.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.414 ' C ' ' HD2' ' A' ' 148' ' ' LYS . 0.1 OUTLIER -46.95 -52.32 14.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.916 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -77.63 178.75 7.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.113 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . 0.488 ' HG3' ' N ' ' A' ' 151' ' ' HIS . 9.3 ttmt -101.18 156.32 17.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.913 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.488 ' N ' ' HG3' ' A' ' 150' ' ' LYS . 0.3 OUTLIER -148.83 171.61 16.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.884 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -50.24 137.03 18.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -67.4 120.91 14.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.869 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 37.0 ttp85 -101.77 39.7 1.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 67.05 -137.69 33.89 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.477 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -102.53 -41.8 6.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.905 0.383 . . . . 0.0 110.949 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 64.5 -161.69 38.53 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.465 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 58.3 p -56.12 123.69 15.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.844 0.354 . . . . 0.0 110.867 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -98.45 -58.58 1.93 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -76.78 88.47 3.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 3.5 ptp -123.99 129.63 51.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 2.7 t -174.98 160.23 2.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -131.51 -32.16 1.54 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.921 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . 0.558 ' CD2' ' HG2' ' A' ' 165' ' ' LYS . 30.8 t80 -74.64 171.66 13.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.911 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . 0.558 ' HG2' ' CD2' ' A' ' 164' ' ' TYR . 2.4 mmmp? 34.57 44.29 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.888 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 3.2 pp20? . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 179.933 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 15.8 pttm . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.87 0.367 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.54 130.92 56.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.887 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -115.73 102.89 10.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -170.46 145.33 2.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.074 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -79.34 83.22 5.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 61.3 m -161.92 137.77 7.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.128 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 24.5 m95 -76.54 123.56 26.25 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.486 HG22 ' OE2' ' A' ' 91' ' ' GLU . 12.8 m -85.53 151.02 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.146 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -39.38 -55.52 1.73 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -43.54 -68.42 0.2 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.486 ' OE2' HG22 ' A' ' 88' ' ' VAL . 42.4 mt-10 -48.9 -56.89 7.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 41.5 m -43.92 -53.31 6.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.094 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 -62.16 -38.47 89.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.834 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 10.3 p -61.84 -50.46 72.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.835 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 96' ' ' ILE . 18.3 tp -62.03 -64.32 0.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.924 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.415 ' C ' ' O ' ' A' ' 95' ' ' LEU . 71.5 mt -36.57 -59.41 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 59.7 mtp -48.02 -59.09 3.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.885 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -50.44 -44.76 55.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.622 ' NH2' ' CD2' ' A' ' 106' ' ' PHE . 0.0 OUTLIER -59.33 -59.01 6.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 -179.92 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.411 ' O ' ' CB ' ' A' ' 103' ' ' ASP . 77.4 mtp180 -50.82 -53.48 31.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -50.34 -38.09 33.22 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.497 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 60.2 mmm -81.29 -12.26 59.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.811 0.339 . . . . 0.0 110.874 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 106' ' ' PHE . 8.9 t70 -39.53 -58.29 1.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 103' ' ' ASP . . . -36.29 -37.82 0.22 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.471 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.454 ' HB3' HD21 ' A' ' 115' ' ' LEU . 47.0 mt -73.97 -42.07 61.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.896 0.379 . . . . 0.0 110.947 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.622 ' CD2' ' NH2' ' A' ' 99' ' ' ARG . 29.3 m-85 -60.8 -11.19 6.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -92.93 -54.04 3.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 8.3 t -67.97 -35.94 79.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.144 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 16.3 m -100.11 115.03 28.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 5.1 ttmt -51.07 -54.62 23.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 74.3 m -82.46 147.29 28.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.532 ' HB3' ' CD2' ' A' ' 106' ' ' PHE . 0.2 OUTLIER -120.92 31.32 6.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.4 -66.47 0.57 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.906 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.514 ' CE1' ' HG ' ' A' ' 115' ' ' LEU . 24.5 p-80 -55.67 -33.33 64.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.592 HD13 ' CD1' ' A' ' 106' ' ' PHE . 78.4 mt -63.7 -52.53 60.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.937 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.456 ' CD1' ' O ' ' A' ' 112' ' ' ASN . 16.2 m95 -55.26 -42.17 73.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -63.28 -34.09 76.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -68.59 -55.71 10.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 49.9 mt -48.44 -45.89 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.126 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 69.8 p -60.94 -59.37 5.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.2 t -46.13 -42.02 13.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.829 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -58.0 -56.3 23.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 81.6 mtp -44.79 -57.92 3.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 10.6 ttt85 -49.78 -39.63 38.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -66.12 -40.84 90.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.25 -24.26 63.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 130.82 0.69 5.19 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.478 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -114.97 105.92 13.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.823 0.344 . . . . 0.0 110.851 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -90.88 105.57 17.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 50.5 mmt-85 -141.91 126.75 18.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.4 p -50.02 155.28 1.63 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.697 0.76 . . . . 0.0 110.87 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -35.4 12.64 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.704 2.269 . . . . 0.0 112.369 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -61.59 -48.08 82.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.094 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 56.1 mmm -51.96 -43.51 63.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 41.6 m -63.63 -38.29 90.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 20.6 m -61.54 -55.27 32.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -64.37 -48.75 74.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.829 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 24.4 tptt -56.08 -39.22 71.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.572 ' CE3' ' HG3' ' A' ' 99' ' ' ARG . 66.6 t-105 -60.7 -51.73 68.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -51.54 -44.33 62.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.866 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -58.66 -41.51 86.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.463 HD12 ' HA ' ' A' ' 139' ' ' TRP . 65.4 mt -57.79 -43.3 85.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 20.5 mt -60.94 -41.19 95.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.968 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 2.5 mmmm -57.84 -51.71 68.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -65.66 -48.8 70.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -45.77 -37.26 5.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 9.0 ttmt -86.22 -33.74 20.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 33.5 mttp -93.41 23.62 4.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -81.97 -179.88 7.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.092 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -66.84 -43.06 84.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 55.8 m170 -42.03 -52.81 4.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 7.1 m80 -91.33 164.59 13.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.801 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -42.75 105.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.67 164.23 0.25 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -95.23 -179.35 36.97 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -107.83 16.3 23.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.877 0.37 . . . . 0.0 110.891 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . -83.37 53.4 4.86 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.495 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 2.9 t -69.89 74.11 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.892 0.377 . . . . 0.0 110.891 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -95.72 -45.76 6.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.097 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.32 134.69 8.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 6.2 ptm -166.99 146.43 5.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.866 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 72.8 m -151.05 144.67 25.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -109.55 134.35 52.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.943 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . 0.439 ' O ' ' CG ' ' A' ' 164' ' ' TYR . 0.4 OUTLIER -76.08 -9.66 58.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.922 -179.911 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . 0.431 ' NZ ' ' HA ' ' A' ' 165' ' ' LYS . 0.0 OUTLIER -79.64 169.43 18.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 179.92 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.878 0.371 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.5 tppt? -133.02 -52.9 0.91 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 26.7 ttt180 -119.35 42.79 2.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.889 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -162.55 149.92 13.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.133 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -85.34 104.62 15.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 80.9 m -143.55 150.12 38.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.168 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.521 ' CZ3' HD22 ' A' ' 95' ' ' LEU . 22.7 m95 -61.24 129.8 43.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 22.3 m -89.63 158.51 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.112 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.466 ' HG3' ' N ' ' A' ' 90' ' ' ASP . 21.1 pt20 -45.3 -48.47 13.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.466 ' N ' ' HG3' ' A' ' 89' ' ' GLN . 2.4 m-20 -50.24 -68.0 0.21 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.479 ' HG2' ' CD1' ' A' ' 128' ' ' PHE . 47.4 mt-10 -54.88 -59.59 4.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 99.4 m -40.61 -54.73 2.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.114 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 4.9 tpp180 -53.81 -49.45 68.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.405 ' O ' ' CD2' ' A' ' 98' ' ' PHE . 1.5 m -57.69 -38.02 74.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.521 HD22 ' CZ3' ' A' ' 87' ' ' TRP . 38.8 tp -65.37 -45.64 83.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 77.5 mt -64.5 -44.93 96.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.165 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 7.0 tpt -57.29 -59.11 5.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.405 ' CD2' ' O ' ' A' ' 94' ' ' SER . 28.3 m-85 -49.24 -44.59 43.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.916 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.528 ' NH2' ' CZ2' ' A' ' 139' ' ' TRP . 4.1 mmm180 -60.61 -46.87 88.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 47.7 mtp180 -59.32 -42.66 91.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -70.59 -37.55 68.18 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.471 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 39.2 mtp -83.94 -11.72 56.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.815 0.34 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -39.45 -52.58 2.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -38.66 -53.35 2.39 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.503 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 40.7 mt -61.23 -43.86 98.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.868 0.366 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.535 ' CE2' ' HB2' ' A' ' 112' ' ' ASN . 36.5 m-85 -55.68 -39.0 70.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -66.77 -51.27 57.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.89 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 11.5 t -83.36 34.64 0.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.165 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 42.6 m -157.88 133.8 9.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 15.5 tptm -76.56 -59.96 2.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.9 t -91.84 111.05 22.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.564 ' O ' ' CD1' ' A' ' 116' ' ' TRP . 10.7 p30 -83.38 39.07 0.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 28.8 mmtm -67.88 -64.6 0.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 43.7 p-80 -58.0 -33.81 69.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.877 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.521 HD13 ' CD1' ' A' ' 106' ' ' PHE . 74.2 mt -64.59 -41.16 96.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.564 ' CD1' ' O ' ' A' ' 112' ' ' ASN . 10.8 m95 -61.57 -59.8 4.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 118' ' ' GLN . 12.6 pt-20 -51.74 -40.51 60.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.457 ' N ' ' HG3' ' A' ' 117' ' ' GLU . 25.7 mt-30 -57.17 -57.9 10.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 66.8 mt -47.62 -56.49 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 26.8 t -42.53 -52.79 4.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 12.6 t -55.23 -56.01 24.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.822 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 26.6 mtmt -44.54 -52.17 8.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.953 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 91.6 mtp -50.58 -63.85 0.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.432 ' HG2' ' CG ' ' A' ' 129' ' ' ASP . 1.8 tmm_? -41.85 -52.46 4.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -44.96 -41.79 7.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.93 -55.75 6.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 159.76 35.14 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.464 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.479 ' CD1' ' HG2' ' A' ' 91' ' ' GLU . 25.3 m-85 -139.04 105.17 5.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.868 0.366 . . . . 0.0 110.842 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.432 ' CG ' ' HG2' ' A' ' 124' ' ' ARG . 0.9 OUTLIER -91.45 89.88 7.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 11.6 mmt180 -127.51 133.66 49.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.8 m -55.5 159.51 4.67 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.658 0.742 . . . . 0.0 110.843 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -49.58 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.668 2.245 . . . . 0.0 112.352 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -53.29 -39.19 63.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.124 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 66.5 mmm -54.61 -50.09 68.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.854 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 43.1 m -58.13 -41.85 84.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.533 ' HA ' ' CH2' ' A' ' 116' ' ' TRP . 30.8 m -56.19 -64.39 0.88 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -57.76 -49.62 75.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.832 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . 0.516 ' HZ2' HD23 ' A' ' 95' ' ' LEU . 0.4 OUTLIER -49.39 -60.76 2.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.683 ' NE1' HD11 ' A' ' 143' ' ' LEU . 72.3 t-105 -43.38 -54.37 4.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -46.32 -43.55 15.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 28.1 t30 -60.39 -50.59 72.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.496 HD11 ' HZ3' ' A' ' 138' ' ' LYS . 35.5 mt -52.56 -46.98 67.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.683 HD11 ' NE1' ' A' ' 139' ' ' TRP . 46.6 mt -55.34 -45.16 76.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 43.9 tttt -53.9 -45.87 71.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -70.39 -45.97 64.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.904 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -47.96 -44.64 30.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 25.3 tttt -62.5 -41.47 98.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 4.6 tppt? -97.09 29.0 3.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.859 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . 0.427 ' O ' ' C ' ' A' ' 150' ' ' LYS . . . -62.87 179.26 0.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.072 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 149' ' ' ALA . 8.9 ptpp? 36.07 34.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . 0.418 ' N ' ' O ' ' A' ' 149' ' ' ALA . 10.9 m-70 -143.0 136.52 28.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 25.8 m80 -89.6 152.58 21.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.823 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -161.08 124.53 3.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -131.83 178.43 6.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 148.8 -39.96 0.93 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.468 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 13.0 p-10 -64.66 -41.31 96.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.886 0.374 . . . . 0.0 110.867 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 52.9 -125.2 29.75 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.496 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 57.9 m -122.42 75.23 1.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.888 0.375 . . . . 0.0 110.869 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 160' ' ' LYS . . . -101.2 -52.62 3.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.059 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 159' ' ' ALA . 16.2 mmtm -34.47 -62.23 0.35 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -119.41 156.16 30.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 4.6 m -153.91 165.64 35.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 163' ' ' TYR . . . . . 0.498 ' O ' ' N ' ' A' ' 165' ' ' LYS . 6.8 m-85 -85.06 -33.82 22.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.907 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . 0.443 ' CD2' ' O ' ' A' ' 164' ' ' TYR . 26.2 p90 35.46 31.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.926 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 163' ' ' TYR . 27.4 mmtt -144.47 155.55 43.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 179.929 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 31.8 pttt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.847 0.356 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 43.7 mttt -102.74 -60.42 1.55 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 75.6 mtt180 -127.77 135.02 49.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -40.4 137.46 1.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.111 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -60.16 97.23 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 5.7 m -107.15 -36.42 6.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -120.74 154.49 35.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.498 HG23 ' H ' ' A' ' 91' ' ' GLU . 33.5 m -111.12 158.25 11.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.142 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -56.98 -55.65 31.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.493 ' N ' ' OD1' ' A' ' 90' ' ' ASP . 2.4 p-10 -46.04 -69.97 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.558 ' HA ' ' CE2' ' A' ' 128' ' ' PHE . 8.5 pt-20 -52.58 -42.37 64.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.41 ' N ' ' CG ' ' A' ' 91' ' ' GLU . 4.5 m -54.35 -35.15 62.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.145 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 2.1 ttm105 -74.28 -39.3 63.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.451 ' O ' ' CD2' ' A' ' 98' ' ' PHE . 1.4 t -58.44 -42.33 87.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 14.9 tp -68.47 -63.33 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 68.1 mt -38.48 -56.64 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 6.8 ttp -54.52 -52.11 63.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.55 ' CE1' ' HD3' ' A' ' 122' ' ' LYS . 4.7 m-85 -47.52 -50.14 24.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.903 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.479 ' HD3' ' CZ3' ' A' ' 116' ' ' TRP . 3.8 mmm180 -56.57 -53.01 62.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.809 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -54.95 -46.45 75.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -64.2 -24.76 69.15 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.463 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 76.2 mtp -98.57 -6.67 29.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.757 0.313 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.475 ' OD1' ' N ' ' A' ' 104' ' ' GLY . 0.4 OUTLIER -45.42 -46.37 13.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.871 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.475 ' N ' ' OD1' ' A' ' 103' ' ' ASP . . . -45.01 -55.26 6.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.493 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.404 ' O ' ' CB ' ' A' ' 109' ' ' SER . 73.7 mt -49.46 -53.88 20.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.843 0.354 . . . . 0.0 110.894 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.647 ' CD1' HD13 ' A' ' 115' ' ' LEU . 73.2 m-85 -50.16 -25.37 3.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.909 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -88.79 -54.61 4.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.509 HG23 ' O ' ' A' ' 108' ' ' THR . 7.4 t -87.27 36.24 0.73 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.138 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.404 ' CB ' ' O ' ' A' ' 105' ' ' LEU . 7.7 t -149.18 154.86 39.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.05 18.78 21.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.2 t -145.48 148.96 33.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 115' ' ' LEU . 2.9 p30 -127.35 -38.58 1.94 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.848 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -39.85 -48.05 2.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.916 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.567 ' CE1' ' HG ' ' A' ' 115' ' ' LEU . 24.0 p-80 -63.69 -36.37 83.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.837 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.647 HD13 ' CD1' ' A' ' 106' ' ' PHE . 84.5 mt -67.16 -43.77 81.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.948 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.479 ' CZ3' ' HD3' ' A' ' 99' ' ' ARG . 8.5 m95 -58.92 -52.0 67.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.951 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -61.98 -30.06 70.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.12 -46.13 75.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 36.0 mt -61.19 -45.31 98.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 60.2 p -56.51 -47.18 79.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.807 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 23.4 t -59.01 -38.92 80.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.848 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.55 ' HD3' ' CE1' ' A' ' 98' ' ' PHE . 56.4 mttt -62.08 -58.42 7.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.897 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 54.1 mmm -44.32 -50.71 8.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 31.8 ttt180 -56.43 -48.52 76.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -61.82 -38.66 89.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -66.46 -45.52 79.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.937 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 158.33 -17.78 0.3 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.502 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.558 ' CE2' ' HA ' ' A' ' 91' ' ' GLU . 59.3 m-85 -101.58 108.61 20.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.855 0.359 . . . . 0.0 110.877 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -93.1 100.73 13.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -140.23 126.78 20.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.72 161.31 0.9 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.663 0.744 . . . . 0.0 110.879 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -26.63 27.61 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.689 2.259 . . . . 0.0 112.391 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -64.23 -45.05 89.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 2.7 mmt -59.73 -47.97 83.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 47.9 m -64.96 -32.38 74.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.825 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 52.4 m -65.71 -55.56 16.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -65.56 -51.17 61.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 24.3 tptt -50.2 -48.85 54.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.579 ' CE2' HD21 ' A' ' 143' ' ' LEU . 75.0 t-105 -54.45 -58.05 8.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -41.0 -50.05 3.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -57.16 -49.07 77.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.585 ' O ' ' CD2' ' A' ' 146' ' ' PHE . 61.5 mt -51.97 -32.08 31.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.579 HD21 ' CE2' ' A' ' 139' ' ' TRP . 38.6 mt -72.07 -41.33 67.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.986 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -65.49 -32.91 74.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . 0.496 ' C ' ' CD ' ' A' ' 145' ' ' GLU . 1.8 pp20? -87.79 -25.43 23.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . 0.585 ' CD2' ' O ' ' A' ' 142' ' ' LEU . 2.7 m-85 -72.93 -46.52 52.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.63 -60.93 2.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? -39.03 -45.55 1.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -50.04 124.54 10.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt -98.09 -43.92 6.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -75.95 140.34 42.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.818 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -70.16 105.06 2.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -138.26 113.19 9.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 43.5 ptt85 -174.72 124.73 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -63.58 177.86 7.37 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.518 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -96.96 -41.38 8.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.835 0.35 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 88.78 92.05 1.11 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.485 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 27.3 t -105.88 90.95 3.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.918 0.389 . . . . 0.0 110.839 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -65.13 -58.94 4.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.125 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 19.5 tptm 62.5 41.1 10.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' MET . . . . . . . . . . . . . 34.3 mmm -98.27 141.68 30.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' SER . . . . . . . . . . . . . 67.2 m -102.15 151.87 21.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 163' ' ' TYR . . . . . 0.401 ' CD1' ' O ' ' A' ' 165' ' ' LYS . 26.2 p90 -141.87 165.08 28.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . 0.453 ' CD1' ' HG3' ' A' ' 165' ' ' LYS . 1.8 p90 -118.76 -5.79 10.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.889 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . 0.453 ' HG3' ' CD1' ' A' ' 164' ' ' TYR . 0.0 OUTLIER -151.63 -175.05 5.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 179.907 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 179.968 . . . . . . . . 0 0 . 1 stop_ save_