data_2mwx_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 2mwx _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.1 tmm_? . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.838 0.352 . . . . 74.51 110.869 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.533 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 8.4 t -49.73 121.71 5.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 65.02 110.879 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -77.29 1.44 18.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.472 . . . . 74.22 110.937 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.411 ' HG3' ' N ' ' A' ' 60' ' ' CYS . 0.0 OUTLIER -118.8 -23.6 6.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 74.12 110.909 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.533 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 9.6 m -106.04 -24.46 12.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 72.01 110.911 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 63.25 35.99 12.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 74.33 110.89 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -141.44 179.62 6.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 64.33 111.141 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -64.91 131.3 46.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 74.53 110.9 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.54 110.47 22.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 74.24 111.087 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 38.7 mtmt -63.17 -53.0 60.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 72.22 110.912 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.6 m -136.66 69.97 59.33 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.658 0.742 . . . . 71.52 110.897 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 153.68 68.78 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.692 2.261 . . . . 74.22 112.317 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 26.3 mmtt -138.98 156.56 47.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 73.44 110.924 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 32.5 mt -90.42 97.22 11.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 73.34 110.902 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.408 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 20.2 mt -47.87 161.38 0.36 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.602 0.715 . . . . 71.54 110.936 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.408 ' HD2' ' HB3' ' A' ' 70' ' ' LEU . 52.7 Cg_endo -69.83 -6.96 19.88 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.689 2.259 . . . . 73.5 112.298 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.19 15.85 28.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 71.12 110.885 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.9 mt 67.63 43.72 1.8 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 73.21 110.936 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -120.49 163.99 17.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 75.22 110.886 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.7 m -117.02 114.07 23.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 74.21 111.173 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.2 mp -126.75 172.29 10.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 72.44 110.945 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 30.7 p -98.74 162.45 13.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 71.55 110.85 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.45 -56.33 11.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 75.32 110.869 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.25 -28.09 41.62 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.711 -0.757 . . . . 61.54 112.471 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -71.78 -35.11 69.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.865 0.364 . . . . 74.13 110.866 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.1 mp -70.02 -40.31 75.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 74.23 110.905 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -78.54 -47.51 17.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 72.53 110.922 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.26 -54.63 11.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 73.21 111.076 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 87' ' ' GLN . 0.1 OUTLIER -83.58 13.52 4.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 72.32 110.838 -179.744 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 40.02 46.36 3.19 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.738 -0.744 . . . . 74.04 112.504 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 5.2 mtp 63.43 36.18 11.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.709 0.29 . . . . 74.52 110.851 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 84' ' ' SER . 0.5 OUTLIER -61.78 -167.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 74.24 110.895 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -137.58 70.7 52.41 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.648 0.737 . . . . 52.14 110.921 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -40.66 5.07 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.622 2.215 . . . . 72.2 112.352 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 18.9 mm . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 73.03 111.14 179.935 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.9 tmm_? . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.934 0.397 . . . . 74.51 110.903 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.506 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 9.2 t -50.44 120.32 4.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 65.02 110.834 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -76.76 0.99 18.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 74.22 110.878 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.88 -20.93 8.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 74.12 110.841 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.506 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 14.9 m -110.65 -17.74 13.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 72.01 110.826 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 55.85 37.12 28.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 74.33 110.902 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -141.76 178.96 7.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 64.33 111.13 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -66.88 129.55 40.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 74.53 110.867 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -106.08 112.04 24.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 74.24 111.052 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.6 mtmm -64.24 -63.9 1.02 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 72.22 110.873 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.5 m -120.23 71.21 16.76 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.59 0.709 . . . . 71.52 110.856 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 150.67 68.63 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.695 2.263 . . . . 74.22 112.376 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt -126.17 156.36 40.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 73.44 110.931 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.5 mt -97.29 94.64 7.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 73.34 110.96 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.445 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 19.9 mt -49.13 162.44 0.39 Allowed Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.599 0.714 . . . . 71.54 110.89 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.445 ' HD2' ' HB3' ' A' ' 70' ' ' LEU . 53.6 Cg_endo -69.79 -6.91 19.73 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.671 2.247 . . . . 73.5 112.307 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 69.6 m -103.73 14.62 30.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 71.12 110.86 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.1 mt 68.42 34.23 3.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 73.21 110.942 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -102.27 165.05 11.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 75.22 110.929 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 56.4 m -119.74 107.77 13.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.281 -0.418 . . . . 74.21 111.127 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.8 mp -120.35 171.58 8.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 72.44 110.927 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 30.0 p -99.7 162.43 13.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 71.55 110.862 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -51.67 -55.54 18.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 75.32 110.858 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -52.67 -29.16 32.13 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.766 -0.731 . . . . 61.54 112.522 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.1 m -73.82 -33.5 64.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.91 0.386 . . . . 74.13 110.896 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -67.21 -43.44 82.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 74.23 110.896 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -78.49 -49.64 13.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 72.53 110.901 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.47 -54.34 34.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 73.21 111.154 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.523 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.8 OUTLIER -83.88 13.47 4.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 72.32 110.816 -179.806 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 39.1 46.87 2.51 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.762 -0.733 . . . . 74.04 112.534 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.6 mtt 66.31 35.8 5.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.69 0.281 . . . . 74.52 110.849 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.523 ' HB2' ' O ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -62.56 -166.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 74.24 110.916 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.34 71.95 21.73 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.651 0.738 . . . . 52.14 110.936 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -42.29 3.48 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.704 2.269 . . . . 72.2 112.305 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.1 mm . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 73.03 111.175 179.92 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.9 tmm_? . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.877 0.37 . . . . 74.51 110.88 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.514 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 9.6 t -50.81 120.35 4.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 65.02 110.903 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -76.89 1.21 18.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.138 -0.483 . . . . 74.22 110.921 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.74 -20.68 8.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.443 . . . . 74.12 110.938 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.514 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 8.1 m -110.11 -21.49 12.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 72.01 110.853 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 60.04 36.31 21.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 74.33 110.965 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -142.14 178.96 7.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 64.33 111.138 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -65.06 131.28 46.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.316 -0.402 . . . . 74.53 110.882 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -108.44 111.75 23.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 74.24 111.091 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -64.3 -66.32 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 72.22 110.964 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.3 m -117.54 70.47 6.58 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.616 0.722 . . . . 71.52 110.944 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 148.57 65.86 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.691 2.26 . . . . 74.22 112.349 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -122.61 156.09 34.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 73.44 110.838 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 49.0 mt -99.87 92.6 5.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 73.34 110.909 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.431 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 20.1 mt -49.09 161.61 0.43 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.56 0.695 . . . . 71.54 110.916 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.431 ' HD2' ' HB3' ' A' ' 70' ' ' LEU . 53.7 Cg_endo -69.78 -6.81 19.49 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.725 2.283 . . . . 73.5 112.354 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 98.9 m -101.7 13.43 34.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 71.12 110.846 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 69.6 32.28 3.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 73.21 110.939 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -100.84 164.53 11.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.198 -0.455 . . . . 75.22 110.844 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.1 m -122.49 105.46 10.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 74.21 111.185 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.8 mp -116.57 171.67 7.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 72.44 110.913 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 29.5 p -100.69 158.77 15.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 71.55 110.912 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.94 -54.3 16.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 75.32 110.844 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.27 -30.31 39.61 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.766 -0.731 . . . . 61.54 112.467 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.1 m -74.15 -32.9 63.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.897 0.379 . . . . 74.13 110.887 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -67.26 -43.22 82.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 74.23 110.888 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -78.67 -46.45 19.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 72.53 110.939 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.34 -53.88 25.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 73.21 111.067 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.474 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.1 OUTLIER -83.69 13.75 4.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 72.32 110.841 -179.779 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 40.02 46.57 3.23 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.769 -0.729 . . . . 74.04 112.443 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 14.5 mtm 64.9 36.42 7.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.691 0.281 . . . . 74.52 110.875 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.474 ' HB2' ' O ' ' A' ' 84' ' ' SER . 0.9 OUTLIER -63.7 -165.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 74.24 110.897 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -143.71 71.63 17.25 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.61 0.719 . . . . 52.14 110.834 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 -41.39 4.22 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.597 2.198 . . . . 72.2 112.369 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 17.8 mm . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.438 . . . . 73.03 111.099 179.872 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.0 tmm_? . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.912 0.387 . . . . 74.51 110.849 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.535 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 8.8 t -51.51 122.22 7.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 65.02 110.882 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -77.48 1.23 19.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 74.22 110.942 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.76 -21.27 7.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.455 . . . . 74.12 110.915 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.535 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 8.8 m -108.92 -24.1 11.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 72.01 110.917 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 63.19 36.62 11.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 74.33 110.926 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -141.97 178.05 7.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 64.33 111.092 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -64.32 130.58 44.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 74.53 110.958 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.54 108.42 19.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 74.24 111.125 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.4 mtmm -63.82 -60.72 2.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 72.22 110.94 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.6 m -125.46 70.9 64.55 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.57 0.7 . . . . 71.52 110.864 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 151.68 69.48 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.678 2.252 . . . . 74.22 112.334 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt -126.89 156.45 41.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 73.44 110.95 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.5 mp -95.21 93.78 7.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 73.34 110.858 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.414 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 19.8 mt -48.36 161.66 0.38 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.682 0.753 . . . . 71.54 110.888 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.414 ' HD2' ' HB3' ' A' ' 70' ' ' LEU . 53.7 Cg_endo -69.71 -7.47 21.12 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.693 2.262 . . . . 73.5 112.347 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 67.8 m -103.97 15.64 28.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 71.12 110.935 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.9 mt 69.31 26.53 5.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.071 -0.513 . . . . 73.21 110.916 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -96.28 164.79 12.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.265 -0.425 . . . . 75.22 110.871 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 24.0 m -120.6 111.0 17.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 74.21 111.131 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.8 mp -122.38 171.95 8.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 72.44 110.89 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 31.1 p -99.06 160.64 14.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 71.55 110.889 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.59 -54.79 19.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 75.32 110.838 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.09 -29.18 35.32 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.826 -0.702 . . . . 61.54 112.49 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.1 m -74.77 -33.96 62.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.856 0.36 . . . . 74.13 110.835 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -66.68 -42.41 86.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 74.23 110.961 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -79.3 -49.66 12.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 72.53 110.901 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.39 -53.82 42.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 73.21 111.075 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.52 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.8 OUTLIER -83.32 13.2 4.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 72.32 110.815 -179.734 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 39.52 46.17 2.74 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.763 -0.732 . . . . 74.04 112.481 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 5.0 mtp 67.09 36.28 4.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.693 0.282 . . . . 74.52 110.865 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.52 ' HB2' ' O ' ' A' ' 84' ' ' SER . 0.6 OUTLIER -63.46 -166.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 74.24 110.893 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -142.95 71.87 18.79 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.642 0.734 . . . . 52.14 110.906 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 -41.84 3.83 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.639 2.226 . . . . 72.2 112.335 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 18.5 mm . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 73.03 111.159 179.908 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.822 0.344 . . . . 74.51 110.889 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.509 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 10.2 t -50.5 119.11 3.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 65.02 110.839 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -76.33 1.73 15.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 74.22 110.983 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.81 -20.97 8.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 74.12 110.949 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.509 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 8.7 m -109.63 -24.07 11.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 72.01 110.853 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 63.06 37.81 11.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 74.33 110.838 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -144.34 179.27 7.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.292 -0.413 . . . . 64.33 111.091 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -66.84 128.98 38.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 74.53 110.921 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -105.93 112.77 25.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 74.24 111.152 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.86 -66.47 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 72.22 110.939 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.5 m -117.36 71.08 6.38 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.624 0.726 . . . . 71.52 110.893 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 147.8 64.13 Favored 'Trans proline' 0 N--CA 1.465 -0.196 0 C-N-CA 122.742 2.295 . . . . 74.22 112.404 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 21.0 mmtm -123.59 156.25 36.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 73.44 110.876 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -97.51 95.87 7.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 73.34 110.907 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.438 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 19.9 mt -49.09 162.45 0.39 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.648 0.737 . . . . 71.54 110.919 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.438 ' HD2' ' HB3' ' A' ' 70' ' ' LEU . 53.8 Cg_endo -69.73 -6.28 18.2 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.697 2.264 . . . . 73.5 112.329 179.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 86.5 m -104.34 12.68 33.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 71.12 110.851 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.5 mt 70.34 34.52 2.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 73.21 110.869 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -102.55 164.7 11.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 75.22 110.894 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.0 m -118.53 110.16 17.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 74.21 111.159 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.6 mp -122.84 171.19 9.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.256 -0.429 . . . . 72.44 110.901 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 30.0 p -99.95 160.78 14.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 71.55 110.829 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.76 -54.9 19.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 75.32 110.853 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.1 -29.4 35.96 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.756 -0.735 . . . . 61.54 112.506 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -73.71 -34.03 64.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.91 0.386 . . . . 74.13 110.835 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -66.29 -43.69 85.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 74.23 110.916 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -77.68 -48.34 16.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 72.53 110.804 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.51 -54.26 30.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 73.21 111.07 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.513 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.9 OUTLIER -83.06 12.55 4.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 72.32 110.845 -179.775 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 39.62 45.59 2.72 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.762 -0.733 . . . . 74.04 112.536 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.3 mtm 67.94 36.04 3.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.784 0.326 . . . . 74.52 110.877 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.513 ' HB2' ' O ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -63.85 -165.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.268 -0.423 . . . . 74.24 110.928 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -143.11 72.01 18.34 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.657 0.741 . . . . 52.14 110.92 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -42.37 3.42 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.625 2.216 . . . . 72.2 112.342 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 18.5 mm . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 73.03 111.188 179.869 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.869 0.366 . . . . 74.51 110.851 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.527 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 9.2 t -52.86 122.91 10.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 65.02 110.854 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -77.4 1.58 18.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 74.22 110.916 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.58 -22.49 6.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 74.12 110.873 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.527 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 10.3 m -108.06 -24.04 11.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 72.01 110.889 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 63.9 34.91 11.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 74.33 110.919 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -140.95 178.9 7.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 64.33 111.096 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -63.59 131.35 47.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 74.53 110.925 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -107.13 107.2 18.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 74.24 111.074 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.7 mtmt -61.97 -70.99 0.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 72.22 110.915 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.6 m -116.5 71.56 4.92 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.537 0.684 . . . . 71.52 110.869 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.74 163.92 36.45 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.657 2.238 . . . . 74.22 112.408 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -138.41 156.06 47.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.289 -0.414 . . . . 73.44 110.954 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.9 95.62 8.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.275 -0.421 . . . . 73.34 110.922 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.428 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 19.8 mt -50.45 161.86 0.58 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.541 0.686 . . . . 71.54 110.955 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.428 ' HD2' ' HB3' ' A' ' 70' ' ' LEU . 54.3 Cg_endo -69.73 -7.38 20.91 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.647 2.231 . . . . 73.5 112.36 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 68.2 m -102.98 15.26 29.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 71.12 110.899 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.3 mt 71.58 21.36 4.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 73.21 110.911 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -92.9 165.02 13.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 75.22 110.872 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -125.25 112.14 16.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 74.21 111.129 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.0 mp -120.33 171.75 8.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 72.44 110.891 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 30.1 p -96.83 166.64 11.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 71.55 110.847 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 63.5 p -53.9 -56.8 14.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 75.32 110.821 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -52.83 -27.74 29.55 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.688 -0.767 . . . . 61.54 112.517 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.1 m -74.4 -35.49 63.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.844 0.354 . . . . 74.13 110.862 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -66.22 -42.73 88.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 74.23 110.855 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -78.25 -52.17 9.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 72.53 110.882 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.37 -54.37 41.34 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.159 -0.473 . . . . 73.21 111.12 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.524 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.1 OUTLIER -83.98 12.09 6.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 72.32 110.83 -179.792 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 38.86 47.24 2.39 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.724 -0.751 . . . . 74.04 112.531 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.6 mtm 66.54 35.86 5.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.675 0.274 . . . . 74.52 110.902 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.524 ' HB2' ' O ' ' A' ' 84' ' ' SER . 0.6 OUTLIER -63.12 -165.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 74.24 110.847 -179.886 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -141.24 71.93 27.04 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.645 0.736 . . . . 52.14 110.93 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -41.37 4.29 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.673 2.249 . . . . 72.2 112.31 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 16.3 mm . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 73.03 111.107 179.947 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.3 tmm_? . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.82 0.343 . . . . 74.51 110.903 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.527 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 9.1 t -49.67 121.57 5.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 65.02 110.828 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -77.43 0.88 20.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 74.22 110.89 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.61 -21.71 8.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 74.12 110.878 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.527 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 7.3 m -108.39 -24.47 11.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 72.01 110.812 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 63.44 35.15 12.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.226 -0.443 . . . . 74.33 110.843 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -141.24 178.42 7.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 64.33 111.131 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -63.26 133.46 54.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.237 -0.438 . . . . 74.53 110.903 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -107.94 108.88 20.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 74.24 111.149 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt -64.44 -62.88 1.32 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 72.22 110.872 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.3 m -122.29 70.23 32.48 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.586 0.707 . . . . 71.52 110.897 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 151.49 68.77 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.689 2.259 . . . . 74.22 112.28 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.1 mtpp -126.74 156.12 41.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 73.44 110.918 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 28.3 mt -96.62 92.43 6.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 73.34 110.936 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.444 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 19.6 mt -47.73 162.42 0.31 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.605 0.717 . . . . 71.54 110.858 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.444 ' HD2' ' HB3' ' A' ' 70' ' ' LEU . 54.1 Cg_endo -69.65 -6.79 19.39 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.697 2.265 . . . . 73.5 112.354 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 75.9 m -103.77 15.29 29.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 71.12 110.93 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.1 mt 67.9 31.54 5.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 73.21 110.904 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -99.8 164.63 11.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.295 -0.411 . . . . 75.22 110.839 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 41.9 m -120.28 105.74 11.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 74.21 111.14 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.7 mp -117.73 171.44 8.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 72.44 110.898 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 30.3 p -99.92 160.42 14.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 71.55 110.926 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.06 -55.21 15.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 75.32 110.886 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -52.69 -29.67 33.48 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.704 -0.76 . . . . 61.54 112.482 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.1 m -74.53 -33.72 62.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.904 0.383 . . . . 74.13 110.872 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -66.65 -43.15 85.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 74.23 110.911 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -78.38 -50.27 12.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 72.53 110.835 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.39 -53.55 50.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.135 -0.484 . . . . 73.21 111.069 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.544 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.1 OUTLIER -84.87 13.25 6.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 72.32 110.823 -179.719 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 38.52 48.24 2.28 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.744 -0.741 . . . . 74.04 112.517 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 25.2 mtm 65.78 35.97 6.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.794 0.331 . . . . 74.52 110.924 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.544 ' HB2' ' O ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -63.37 -165.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 74.24 110.905 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -143.06 72.65 18.37 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.639 0.733 . . . . 52.14 110.88 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -40.66 5.07 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.687 2.258 . . . . 72.2 112.3 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 15.3 mm . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 73.03 111.19 179.915 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.851 0.358 . . . . 74.51 110.856 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.542 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 9.1 t -60.81 123.91 18.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 65.02 110.845 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 23.4 mm100 -77.5 1.29 19.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 74.22 110.886 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.405 ' HG3' ' N ' ' A' ' 60' ' ' CYS . 0.0 OUTLIER -119.62 -22.86 6.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 74.12 110.914 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.542 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 10.6 m -107.64 -23.72 12.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 72.01 110.918 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 63.68 36.51 10.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 74.33 110.893 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -142.99 177.44 8.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 64.33 111.127 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -62.11 131.46 49.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 74.53 110.844 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -108.35 107.52 18.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.472 . . . . 74.24 111.11 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.7 mtmt -62.64 -71.18 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 72.22 110.875 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.6 m -114.08 71.91 2.15 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.619 0.723 . . . . 71.52 110.866 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.72 163.05 39.68 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.714 2.276 . . . . 74.22 112.325 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -139.5 156.07 47.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.188 -0.46 . . . . 73.44 110.85 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.2 mt -94.69 114.04 25.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 73.34 110.915 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -50.86 161.23 0.69 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.605 0.717 . . . . 71.54 110.946 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -7.9 22.23 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.692 2.261 . . . . 73.5 112.312 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 3.8 m -106.39 -71.38 0.75 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 71.12 110.942 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 175.14 55.25 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 73.21 110.92 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -133.97 165.39 25.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 75.22 110.898 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.0 m -125.03 117.28 23.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 74.21 111.145 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.9 mp -119.86 172.09 7.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 72.44 110.931 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 31.5 p -97.82 160.86 14.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 71.55 110.884 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.07 -53.99 28.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 75.32 110.921 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.71 -28.65 38.97 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.768 -0.729 . . . . 61.54 112.463 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.1 m -74.66 -32.88 62.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.908 0.385 . . . . 74.13 110.922 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.27 -43.34 82.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 74.23 110.941 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -78.15 -44.15 26.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 72.53 110.85 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.93 -52.81 31.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 73.21 111.14 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.566 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.7 OUTLIER -83.16 14.83 3.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 72.32 110.887 -179.849 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 39.8 44.5 2.63 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.722 -0.752 . . . . 74.04 112.438 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 69.15 36.74 2.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.658 0.266 . . . . 74.52 110.833 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.566 ' HB2' ' O ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -68.74 -163.71 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.302 -0.408 . . . . 74.24 110.901 -179.918 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -152.58 72.19 7.43 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.574 0.702 . . . . 52.14 110.858 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 -37.87 8.52 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.718 2.278 . . . . 72.2 112.299 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 21.7 mm . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 73.03 111.154 179.914 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.87 0.367 . . . . 74.51 110.846 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.502 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 10.2 t -49.84 119.35 3.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 65.02 110.913 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 23.7 mm100 -76.5 0.89 18.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 74.22 110.883 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.81 -20.86 9.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 74.12 110.901 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.502 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 7.2 m -109.44 -24.69 10.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 72.01 110.942 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 63.68 37.16 10.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 74.33 110.921 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -142.63 177.9 7.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 64.33 111.07 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.49 132.61 53.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 74.53 110.827 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -110.73 109.51 19.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 74.24 111.09 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.82 -67.78 0.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 72.22 110.826 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -118.6 71.74 10.08 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.632 0.73 . . . . 71.52 110.84 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 141.81 46.45 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.736 2.29 . . . . 74.22 112.32 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -116.11 156.23 26.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 73.44 110.947 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.0 mt -98.7 94.8 6.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.212 -0.449 . . . . 73.34 110.959 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.443 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 19.7 mt -47.65 162.39 0.31 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.657 0.742 . . . . 71.54 110.943 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.443 ' HD2' ' HB3' ' A' ' 70' ' ' LEU . 54.0 Cg_endo -69.75 -6.39 18.49 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.72 2.28 . . . . 73.5 112.371 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 81.5 m -103.82 14.0 31.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 71.12 110.865 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.3 mt 69.08 33.61 3.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 73.21 110.873 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -101.93 164.76 11.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 75.22 110.874 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 94.8 m -119.55 113.61 20.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.296 -0.411 . . . . 74.21 111.161 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.0 mp -126.26 171.75 10.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 72.44 110.898 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 27.8 p -100.46 161.01 13.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 71.55 110.862 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.29 -54.31 22.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 75.32 110.823 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.42 -31.91 44.2 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.753 -0.737 . . . . 61.54 112.49 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.1 m -71.4 -33.47 69.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.837 0.351 . . . . 74.13 110.866 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -66.52 -43.4 85.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 74.23 110.909 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -79.54 -48.97 12.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 72.53 110.873 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.03 -55.44 16.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 73.21 111.11 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 87' ' ' GLN . 0.8 OUTLIER -81.82 13.31 3.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 72.32 110.89 -179.806 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 40.62 46.58 3.74 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 74.04 112.432 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 62.8 35.45 13.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.705 0.288 . . . . 74.52 110.9 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -61.98 -168.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 74.24 110.906 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -137.9 70.01 50.36 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.639 0.733 . . . . 52.14 110.844 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.84 -42.38 3.37 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.678 2.252 . . . . 72.2 112.269 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 30.2 mm . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 73.03 111.177 179.91 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.0 tmm_? . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.868 0.366 . . . . 74.51 110.822 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.518 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 8.9 t -51.74 121.77 7.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 65.02 110.895 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -76.73 -1.03 25.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 74.22 110.937 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.7 -20.55 9.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 74.12 110.854 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.518 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 14.9 m -111.43 -14.27 13.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 72.01 110.863 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 52.09 38.84 25.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 74.33 110.944 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -141.9 179.47 6.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 64.33 111.039 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -62.96 134.61 56.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.135 -0.484 . . . . 74.53 110.87 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -113.51 108.06 16.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 74.24 111.12 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 42.3 mtmt -63.9 -68.73 0.33 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 72.22 110.956 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.3 m -115.8 70.97 3.69 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.662 0.744 . . . . 71.52 110.868 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 152.59 69.43 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.722 2.281 . . . . 74.22 112.355 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -125.6 156.07 39.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 73.44 110.901 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 66.5 mt -101.98 91.46 4.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 73.34 110.895 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.465 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 19.9 mt -48.75 162.55 0.36 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.68 0.753 . . . . 71.54 110.904 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.465 ' HD2' ' HB3' ' A' ' 70' ' ' LEU . 54.1 Cg_endo -69.69 -7.0 19.92 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.692 2.261 . . . . 73.5 112.357 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 84.1 m -101.52 13.04 36.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 71.12 110.947 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.3 mt 69.79 33.72 2.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.494 . . . . 73.21 110.881 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -100.83 164.88 11.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 75.22 110.894 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 89.1 m -125.36 104.5 8.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 74.21 111.205 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.5 mp -115.34 172.52 7.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 72.44 110.895 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 26.8 p -100.43 167.94 10.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 71.55 110.89 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 97.3 p -54.55 -57.21 12.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 75.32 110.874 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -51.57 -31.99 30.62 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.675 -0.774 . . . . 61.54 112.456 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.2 m -70.92 -33.37 70.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.849 0.356 . . . . 74.13 110.88 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -67.52 -43.63 80.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 74.23 110.891 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -79.25 -51.7 9.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 72.53 110.818 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.15 -55.42 21.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 73.21 111.075 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.466 ' O ' ' N ' ' A' ' 87' ' ' GLN . 0.9 OUTLIER -84.31 14.74 4.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 72.32 110.823 -179.713 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 38.33 49.14 2.25 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.688 -0.768 . . . . 74.04 112.542 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.2 mtm 60.44 36.33 20.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.707 0.289 . . . . 74.52 110.872 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -60.08 -168.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.248 -0.433 . . . . 74.24 110.975 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -137.95 70.41 49.82 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.623 0.725 . . . . 52.14 110.885 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -42.34 3.46 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.606 2.204 . . . . 72.2 112.357 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.6 mm . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 73.03 111.164 179.891 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.1 tmm_? . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.85 0.357 . . . . 74.51 110.914 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.51 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 10.2 t -50.94 120.35 4.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 65.02 110.933 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.2 mm100 -76.86 -0.58 24.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 74.22 110.838 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.44 -20.53 10.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.311 -0.404 . . . . 74.12 110.91 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.51 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 14.4 m -110.66 -21.75 11.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 72.01 110.952 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 60.14 37.22 20.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 74.33 110.887 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -142.45 177.6 8.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 64.33 111.12 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -65.57 130.45 43.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 74.53 110.849 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -106.06 110.76 23.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 74.24 111.083 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 39.4 mtmt -60.38 -62.55 1.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 72.22 110.898 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -126.62 74.75 74.86 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.717 0.77 . . . . 71.52 110.856 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 155.46 65.71 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.707 2.271 . . . . 74.22 112.34 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.3 mtmt -134.32 156.14 48.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 73.44 110.917 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 55.1 mt -92.8 104.6 16.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 73.34 110.939 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.451 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 19.3 mt -48.19 161.9 0.36 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.652 0.739 . . . . 71.54 110.902 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.451 ' HD2' ' HB3' ' A' ' 70' ' ' LEU . 53.8 Cg_endo -69.67 -7.15 20.29 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.744 2.296 . . . . 73.5 112.359 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 1.3 m -96.32 -79.7 0.44 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.431 . . . . 71.12 110.891 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.6 pp 175.38 41.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 73.21 110.906 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -128.24 164.69 22.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.274 -0.421 . . . . 75.22 110.901 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 60.7 m -115.5 123.69 49.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.242 -0.435 . . . . 74.21 111.125 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.9 mp -124.93 171.44 10.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.308 -0.406 . . . . 72.44 110.97 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 29.9 p -95.83 159.41 14.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 71.55 110.842 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -49.03 -53.42 20.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 75.32 110.825 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -55.18 -29.35 52.2 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.728 -0.748 . . . . 61.54 112.465 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -73.67 -37.25 65.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.856 0.36 . . . . 74.13 110.835 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -63.94 -41.84 97.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 74.23 110.987 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -79.33 -52.38 8.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 72.53 110.892 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.16 -54.6 38.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 73.21 111.102 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.475 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.1 OUTLIER -82.12 12.37 4.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 72.32 110.926 -179.836 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 39.52 46.74 2.84 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.724 -0.751 . . . . 74.04 112.508 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 10.2 mtp 66.07 36.86 5.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.749 0.309 . . . . 74.52 110.886 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.475 ' HB2' ' O ' ' A' ' 84' ' ' SER . 0.1 OUTLIER -62.07 -164.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 74.24 110.9 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -147.12 71.14 12.12 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.631 0.729 . . . . 52.14 110.9 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -45.48 1.56 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.708 2.272 . . . . 72.2 112.282 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 20.4 mm . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.279 -0.419 . . . . 73.03 111.171 179.907 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.0 tmm_? . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.863 0.363 . . . . 74.51 110.898 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.486 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 10.9 t -49.35 118.41 2.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 65.02 110.929 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.3 mm100 -76.06 1.04 16.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 74.22 110.903 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.39 -20.91 9.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 74.12 110.9 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.486 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 8.1 m -109.77 -24.89 10.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 72.01 110.844 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 63.88 38.6 8.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 74.33 110.935 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -145.56 179.69 7.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 64.33 111.114 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -66.21 131.19 45.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 74.53 110.833 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -111.34 113.94 26.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.08 -0.509 . . . . 74.24 111.147 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -68.84 0.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 72.22 110.809 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.8 t -114.08 71.87 2.14 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.644 0.735 . . . . 71.52 110.821 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 146.02 58.45 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.648 2.232 . . . . 74.22 112.342 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -123.01 157.12 33.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 73.44 110.889 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.5 mt -103.01 97.9 7.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 73.34 110.908 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.49 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 4.4 mm? -48.83 163.98 0.31 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.621 0.724 . . . . 71.54 110.922 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.49 ' HD2' ' HB3' ' A' ' 70' ' ' LEU . 53.9 Cg_endo -69.69 -4.56 14.23 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.752 2.302 . . . . 73.5 112.318 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 81.7 m -104.73 10.58 34.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 71.12 110.892 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.4 mt 71.89 37.25 1.06 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.193 -0.458 . . . . 73.21 110.924 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -104.44 165.36 11.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 75.22 110.845 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.7 m -118.35 118.26 31.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 74.21 111.175 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.6 mp -130.4 172.32 12.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 72.44 110.923 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 26.6 p -101.85 176.49 5.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 71.55 110.882 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 96.6 p -63.75 -55.95 19.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 75.32 110.852 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -51.8 -29.65 26.85 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.792 -0.718 . . . . 61.54 112.518 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.3 m -74.08 -32.61 63.34 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.883 0.373 . . . . 74.13 110.909 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -68.33 -43.52 77.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 74.23 110.921 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -77.47 -47.89 18.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 72.53 110.876 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.82 -52.96 46.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 73.21 111.115 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.578 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.8 OUTLIER -86.2 14.62 6.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 72.32 110.882 -179.817 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 84' ' ' SER . . . 37.84 48.97 1.95 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.79 -0.719 . . . . 74.04 112.475 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 10.1 mtm 65.59 37.51 5.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.814 0.34 . . . . 74.52 110.923 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.578 ' HB2' ' O ' ' A' ' 84' ' ' SER . 0.1 OUTLIER -67.92 -164.39 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 74.24 110.882 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -144.1 74.23 16.06 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.594 0.711 . . . . 52.14 110.933 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -39.89 6.02 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.649 2.233 . . . . 72.2 112.347 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 22.2 mm . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 73.03 111.145 179.932 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.862 0.363 . . . . 74.51 110.815 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.517 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 9.3 t -49.7 119.78 3.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 65.02 110.85 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -76.83 1.63 16.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.171 -0.468 . . . . 74.22 110.857 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.17 -20.39 8.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 74.12 110.87 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.517 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 7.4 m -110.18 -24.27 10.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 72.01 110.84 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 63.4 37.68 10.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.173 -0.467 . . . . 74.33 110.842 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -143.49 178.73 7.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 64.33 111.098 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -64.42 132.04 48.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 74.53 110.829 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -107.26 108.51 19.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 74.24 111.136 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.8 mtmm -64.77 -65.62 0.65 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 72.22 110.884 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.4 m -118.08 70.51 7.94 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.567 0.699 . . . . 71.52 110.853 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.68 159.49 53.26 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.651 2.234 . . . . 74.22 112.432 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.2 mtpt -133.4 154.22 50.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 73.44 110.925 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 29.0 mt -99.08 91.42 5.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 73.34 110.95 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.439 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 20.1 mt -48.72 161.82 0.39 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.589 0.709 . . . . 71.54 110.91 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.439 ' HD2' ' HB3' ' A' ' 70' ' ' LEU . 52.7 Cg_endo -69.87 -6.57 18.97 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.669 2.246 . . . . 73.5 112.285 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 89.8 m -102.17 12.74 36.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 71.12 110.872 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.2 mt 70.17 34.48 2.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 73.21 110.915 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -102.98 164.73 11.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 75.22 110.853 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.5 m -123.9 105.58 9.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 74.21 111.153 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.9 mp -117.31 171.76 7.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 72.44 110.927 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 30.5 p -99.53 160.76 14.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 71.55 110.849 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.32 -54.87 18.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 75.32 110.852 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.13 -29.35 36.11 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.742 -0.742 . . . . 61.54 112.47 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.1 m -74.8 -33.32 62.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.846 0.355 . . . . 74.13 110.865 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -66.63 -43.31 85.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 74.23 110.865 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -78.49 -47.26 17.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 72.53 110.853 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.05 -53.65 35.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 73.21 111.048 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.514 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.1 OUTLIER -84.19 13.03 5.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 72.32 110.84 -179.762 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 39.74 46.73 3.03 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.762 -0.733 . . . . 74.04 112.432 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 15.4 mtm 66.78 36.82 4.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.745 0.307 . . . . 74.52 110.877 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.514 ' HB2' ' O ' ' A' ' 84' ' ' SER . 0.4 OUTLIER -64.27 -166.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 74.24 110.886 -179.922 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.49 70.88 21.22 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.65 0.738 . . . . 52.14 110.833 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -43.09 2.83 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.698 2.265 . . . . 72.2 112.358 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 23.6 mm . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 73.03 111.14 179.916 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.875 0.369 . . . . 74.51 110.876 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.505 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 9.8 t -49.64 119.68 3.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 65.02 110.88 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -76.29 -0.75 23.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 74.22 110.945 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.57 -21.95 10.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 74.12 110.888 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.505 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 11.0 m -108.35 -24.75 11.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 72.01 110.884 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 63.34 37.03 11.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 74.33 110.928 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -142.23 177.61 8.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 64.33 111.125 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -63.86 131.57 48.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 74.53 110.931 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -107.45 110.18 22.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 74.24 111.111 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 15.8 mtmm -63.05 -64.97 0.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 72.22 110.892 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.6 t -121.17 72.27 24.69 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.547 0.689 . . . . 71.52 110.912 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 152.76 69.06 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.594 2.196 . . . . 74.22 112.36 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp -134.22 156.35 48.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 73.44 110.921 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 49.6 mt -89.95 109.57 20.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 73.34 110.932 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.5 mp -50.47 163.96 0.43 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.589 0.709 . . . . 71.54 110.883 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 -9.35 25.87 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.715 2.277 . . . . 73.5 112.276 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 1.4 m -97.33 -82.12 0.42 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 71.12 110.907 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -178.87 34.25 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 73.21 110.937 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.419 ' CG ' ' HB ' ' A' ' 90' ' ' ILE . 1.6 m-70 -120.53 164.87 15.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 75.22 110.867 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 27.1 m -114.78 131.24 56.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 74.21 111.119 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.0 mp -129.8 172.54 11.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 72.44 110.954 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 27.9 p -97.8 170.74 8.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 71.55 110.914 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 92.9 p -57.28 -56.56 20.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 75.32 110.898 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -52.54 -29.37 31.61 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.725 -0.75 . . . . 61.54 112.471 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.2 m -74.34 -34.58 63.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.889 0.376 . . . . 74.13 110.882 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -67.42 -42.34 83.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 74.23 110.937 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -78.34 -51.41 10.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 72.53 110.844 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.29 -53.47 52.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 73.21 111.132 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.549 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.8 OUTLIER -85.64 13.08 7.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 72.32 110.784 -179.74 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 37.72 50.24 1.93 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.698 -0.763 . . . . 74.04 112.55 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 63.35 37.65 10.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.712 0.291 . . . . 74.52 110.808 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.549 ' HB2' ' O ' ' A' ' 84' ' ' SER . 1.0 OUTLIER -64.88 -164.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.312 -0.404 . . . . 74.24 110.906 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -146.86 71.09 12.41 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.674 0.75 . . . . 52.14 110.905 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -44.44 2.13 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.702 2.268 . . . . 72.2 112.337 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.419 ' HB ' ' CG ' ' A' ' 74' ' ' HIS . 25.9 mm . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 73.03 111.087 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.1 tmm_? . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.819 0.342 . . . . 74.51 110.941 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.513 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 9.9 t -52.79 120.77 6.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 65.02 110.866 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -76.51 0.66 19.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 74.22 110.877 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.27 -21.78 8.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 74.12 110.98 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.513 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 13.7 m -109.34 -19.46 13.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 72.01 110.907 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 57.5 38.79 28.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 74.33 110.88 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -144.89 178.87 7.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 64.33 111.056 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -64.54 131.44 47.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 74.53 110.849 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -111.21 113.59 26.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 74.24 111.11 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt -62.68 -70.85 0.18 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.302 -0.408 . . . . 72.22 110.857 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.3 m -115.15 71.08 2.82 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-O 121.627 0.727 . . . . 71.52 110.811 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.84 153.23 68.79 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.645 2.23 . . . . 74.22 112.325 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.1 mmpt? -134.27 155.86 49.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 73.44 110.875 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.9 mt -97.13 110.02 22.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 73.34 110.858 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.428 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 3.1 mm? -50.48 160.6 0.72 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.617 0.722 . . . . 71.54 110.937 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.428 ' HD2' ' HB3' ' A' ' 70' ' ' LEU . 52.8 Cg_endo -69.8 -5.46 16.29 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.656 2.237 . . . . 73.5 112.331 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 23.0 m -95.22 -79.25 0.43 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 71.12 110.892 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.9 pp 177.54 36.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 73.21 110.895 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -126.39 166.38 17.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 75.22 110.864 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 41.7 m -121.0 137.02 54.85 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.211 -0.449 . . . . 74.21 111.187 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.3 mp -134.58 172.84 12.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 72.44 110.804 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 28.5 p -98.41 167.67 10.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 71.55 110.936 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 91.4 p -54.72 -55.95 24.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 75.32 110.869 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.05 -28.9 34.31 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.702 -0.761 . . . . 61.54 112.523 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.2 m -74.21 -33.37 63.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.86 0.362 . . . . 74.13 110.887 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -67.75 -43.37 80.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 74.23 110.902 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -77.56 -49.74 14.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 72.53 110.904 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.8 -53.37 51.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 73.21 111.128 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.542 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.1 OUTLIER -85.35 13.27 6.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 72.32 110.843 -179.781 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 84' ' ' SER . . . 38.49 48.07 2.25 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.736 -0.745 . . . . 74.04 112.461 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 65.98 37.13 5.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.748 0.308 . . . . 74.52 110.86 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.542 ' HB2' ' O ' ' A' ' 84' ' ' SER . 0.2 OUTLIER -65.77 -165.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 74.24 110.906 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -147.98 72.79 11.3 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.638 0.732 . . . . 52.14 110.909 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 -41.58 4.21 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.663 2.242 . . . . 72.2 112.393 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.8 mm . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 73.03 111.076 179.903 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.861 0.362 . . . . 74.51 110.873 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.529 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 8.5 t -49.97 119.92 3.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.499 . . . . 65.02 110.926 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -76.2 1.59 15.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.107 -0.497 . . . . 74.22 110.926 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.407 ' HG3' ' N ' ' A' ' 60' ' ' CYS . 0.0 OUTLIER -118.21 -23.34 7.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 74.12 110.912 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.529 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 10.7 m -106.94 -21.43 13.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 72.01 110.915 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 59.65 37.07 22.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 74.33 110.88 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -142.69 179.73 6.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.281 -0.418 . . . . 64.33 111.088 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -67.9 126.53 29.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 74.53 110.894 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.48 113.15 26.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 74.24 111.118 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.5 mtmp? -63.55 -67.88 0.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 72.22 110.897 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.3 m -115.29 71.78 3.21 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.609 0.719 . . . . 71.52 110.899 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 148.78 65.89 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.586 2.191 . . . . 74.22 112.394 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -128.99 156.96 42.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 73.44 110.869 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.2 mt -91.33 101.77 14.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 73.34 110.914 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -49.36 164.68 0.31 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.631 0.729 . . . . 71.54 110.865 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 -7.88 22.16 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.732 2.288 . . . . 73.5 112.357 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.411 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 68.6 m -108.05 16.64 23.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 71.12 110.86 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.3 mt 71.42 22.0 4.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 73.21 110.95 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.411 ' CE1' ' HB3' ' A' ' 72' ' ' CYS . 3.8 m-70 -92.56 164.77 13.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 75.22 110.935 179.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.3 m -113.14 127.88 56.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.272 -0.422 . . . . 74.21 111.105 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.6 mp -138.7 171.99 13.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 72.44 110.903 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 30.2 p -100.98 160.02 14.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 71.55 110.865 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.2 -54.3 21.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 75.32 110.855 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.15 -30.07 38.06 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.722 -0.751 . . . . 61.54 112.44 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.1 m -74.17 -32.61 63.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.895 0.379 . . . . 74.13 110.871 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -67.8 -43.35 79.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 74.23 110.922 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -78.07 -44.93 24.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 72.53 110.898 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.36 -53.58 23.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 73.21 111.115 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.547 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.7 OUTLIER -83.88 14.5 3.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.23 -0.441 . . . . 72.32 110.826 -179.768 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 39.62 45.62 2.72 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.8 -0.714 . . . . 74.04 112.465 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 4.2 mtt 67.82 37.0 3.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.706 0.289 . . . . 74.52 110.916 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.547 ' HB2' ' O ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -67.42 -165.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 74.24 110.899 -179.852 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -148.62 70.65 10.54 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.635 0.731 . . . . 52.14 110.894 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -40.72 4.96 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.666 2.244 . . . . 72.2 112.323 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 31.4 mm . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 73.03 111.165 179.917 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.866 0.365 . . . . 74.51 110.844 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.509 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 9.1 t -49.15 123.56 7.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 65.02 110.854 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -78.47 -2.74 39.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 74.22 110.928 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.2 -20.12 11.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 74.12 110.958 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.509 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 17.5 m -111.6 -16.11 13.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 72.01 110.803 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 54.2 27.32 7.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 74.33 110.92 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -130.32 172.63 11.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 64.33 111.167 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -59.43 137.3 58.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.28 -0.418 . . . . 74.53 110.898 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -110.07 108.46 18.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 74.24 111.125 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt -64.76 -55.31 20.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 72.22 110.851 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.7 m -130.88 71.04 82.6 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.633 0.73 . . . . 71.52 110.864 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 161.54 45.55 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.711 2.274 . . . . 74.22 112.341 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -136.16 156.02 49.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.425 . . . . 73.44 110.899 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -96.19 93.48 6.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 73.34 110.95 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.443 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 20.0 mt -50.57 162.14 0.57 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.619 0.723 . . . . 71.54 110.914 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.443 ' HD2' ' HB3' ' A' ' 70' ' ' LEU . 53.4 Cg_endo -69.78 -7.04 20.05 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.672 2.248 . . . . 73.5 112.321 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 61.4 m -103.86 16.13 27.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.252 -0.431 . . . . 71.12 110.894 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.6 mt 68.81 25.73 6.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 73.21 110.979 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -95.13 164.4 12.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 75.22 110.831 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.9 m -123.49 106.77 10.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 74.21 111.165 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.4 mp -116.99 171.47 7.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 72.44 110.941 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 28.9 p -98.28 162.67 13.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 71.55 110.941 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.24 -57.63 7.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 75.32 110.9 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -50.71 -32.67 25.55 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.766 -0.731 . . . . 61.54 112.465 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.2 m -71.72 -33.07 68.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.927 0.394 . . . . 74.13 110.918 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -68.09 -42.66 80.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 74.23 110.913 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -80.94 -52.14 7.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 72.53 110.938 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.18 -55.76 19.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.491 . . . . 73.21 111.098 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.501 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.2 OUTLIER -86.4 18.36 3.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 72.32 110.917 -179.783 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.46 ' O ' ' CG ' ' A' ' 86' ' ' MET . . . 33.86 62.7 0.43 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.738 -0.744 . . . . 74.04 112.472 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.46 ' CG ' ' O ' ' A' ' 85' ' ' GLY . 5.4 ptp 46.19 39.39 6.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.772 0.32 . . . . 74.52 110.836 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.501 ' HB2' ' O ' ' A' ' 84' ' ' SER . 1.7 mp0 -60.58 -167.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.247 -0.433 . . . . 74.24 110.888 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -137.62 69.79 52.54 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.624 0.726 . . . . 52.14 110.858 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -40.82 4.96 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.772 2.315 . . . . 72.2 112.328 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 14.5 mm . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 73.03 111.133 179.903 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.828 0.347 . . . . 74.51 110.883 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.527 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 9.8 t -53.48 122.66 10.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 65.02 110.914 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -78.03 1.72 20.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 74.22 110.923 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.11 -22.51 7.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 74.12 110.894 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.527 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 7.0 m -106.87 -25.12 11.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 72.01 110.9 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 64.58 31.65 12.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 74.33 110.919 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -137.18 178.2 7.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 64.33 111.085 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -61.86 133.49 55.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 74.53 110.903 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -108.04 115.48 30.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 74.24 111.105 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 31.3 mtmm -73.0 -73.9 0.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 72.22 110.914 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.3 t -115.28 70.93 2.97 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.612 0.72 . . . . 71.52 110.827 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 165.22 31.76 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.677 2.251 . . . . 74.22 112.342 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.4 mttt -139.61 155.81 47.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 73.44 110.909 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.8 mt -99.31 91.09 4.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.237 -0.438 . . . . 73.34 110.924 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.428 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 13.8 mt -48.56 161.46 0.4 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.64 0.733 . . . . 71.54 110.885 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.428 ' HD2' ' HB3' ' A' ' 70' ' ' LEU . 53.1 Cg_endo -69.86 -4.92 15.06 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.659 2.239 . . . . 73.5 112.339 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -102.44 17.41 23.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 71.12 110.838 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.3 mp 65.72 32.91 8.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 73.21 110.919 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -103.77 164.56 11.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 75.22 110.854 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 90.5 m -128.33 104.15 7.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 74.21 111.195 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.2 mp -116.48 171.57 7.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 72.44 110.904 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 31.5 p -94.21 166.86 11.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 71.55 110.815 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 82.3 p -52.44 -57.85 8.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 75.32 110.831 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.48 -27.09 32.72 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.801 -0.714 . . . . 61.54 112.452 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -74.52 -39.17 62.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.927 0.394 . . . . 74.13 110.877 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -62.91 -41.69 99.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 74.23 110.89 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -78.81 -52.92 7.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 72.53 110.859 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.67 -54.59 37.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 73.21 111.108 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 87' ' ' GLN . 0.9 OUTLIER -81.69 11.45 4.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 72.32 110.849 -179.84 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 39.54 46.23 2.76 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.721 -0.752 . . . . 74.04 112.525 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER 64.45 34.46 10.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.697 0.284 . . . . 74.52 110.884 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -61.99 -166.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 74.24 110.859 -179.908 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -136.49 69.79 60.55 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.637 0.732 . . . . 52.14 110.847 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.69 -41.94 3.92 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.702 2.268 . . . . 72.2 112.347 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 18.2 mm . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 73.03 111.196 179.905 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.1 tmm_? . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.855 0.359 . . . . 74.51 110.911 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.525 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 9.2 t -49.48 123.82 8.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 65.02 110.875 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -78.44 -4.18 47.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 74.22 110.847 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.62 -19.81 11.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 74.12 110.845 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.525 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 20.8 m -111.7 -14.83 13.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 72.01 110.895 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 51.38 30.13 5.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 74.33 110.896 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -131.47 169.6 15.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 64.33 111.097 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -57.95 123.34 15.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 74.53 110.885 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -94.65 108.71 20.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 74.24 111.047 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.48 -60.36 3.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 72.22 110.886 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.8 m -129.04 70.38 81.57 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.612 0.72 . . . . 71.52 110.909 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 153.49 68.77 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.622 2.215 . . . . 74.22 112.337 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt -133.29 155.95 48.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 73.44 110.867 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 71.5 mt -83.2 157.05 22.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 73.34 110.922 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.71 162.7 19.56 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.632 0.729 . . . . 71.54 110.898 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -8.23 23.08 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.687 2.258 . . . . 73.5 112.33 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 64.1 m -102.2 -79.5 0.52 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 71.12 110.908 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.1 pp 175.85 40.66 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 73.21 110.881 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.426 ' CG ' ' HB ' ' A' ' 90' ' ' ILE . 2.6 m-70 -122.32 164.06 18.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.478 . . . . 75.22 110.87 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 97.0 m -128.64 112.26 14.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 74.21 111.128 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.8 mp -109.36 171.64 7.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 72.44 110.885 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 28.9 p -95.94 163.51 13.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 71.55 110.937 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.58 -57.71 5.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 75.32 110.844 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -52.71 -31.1 37.17 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.702 -0.761 . . . . 61.54 112.471 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.2 m -73.94 -33.42 63.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.773 0.321 . . . . 74.13 110.814 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -67.35 -41.73 84.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 74.23 110.908 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -80.92 -51.6 8.38 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.211 -0.45 . . . . 72.53 110.883 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.29 -55.95 17.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 73.21 111.08 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 85' ' ' GLY . 0.9 OUTLIER -85.06 15.02 4.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 72.32 110.808 -179.747 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.447 ' O ' ' CG ' ' A' ' 86' ' ' MET . . . 35.19 64.19 0.49 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.701 -0.762 . . . . 74.04 112.505 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.447 ' CG ' ' O ' ' A' ' 85' ' ' GLY . 14.7 ptp 45.79 38.39 4.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.702 0.287 . . . . 74.52 110.913 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 84' ' ' SER . 1.0 OUTLIER -60.47 -169.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 74.24 110.888 -179.893 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -137.76 67.83 50.79 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.583 0.706 . . . . 52.14 110.842 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -43.78 2.45 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.656 2.238 . . . . 72.2 112.322 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.426 ' HB ' ' CG ' ' A' ' 74' ' ' HIS . 16.9 mm . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.43 . . . . 73.03 111.049 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.879 0.371 . . . . 74.51 110.847 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.509 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 9.6 t -48.96 120.55 3.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 65.02 110.89 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -76.98 0.74 20.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 74.22 110.889 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.5 -20.72 8.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.425 . . . . 74.12 110.913 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.509 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 11.5 m -110.41 -19.61 12.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 72.01 110.927 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 57.65 37.64 27.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.096 -0.502 . . . . 74.33 110.942 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -142.45 -179.99 6.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 64.33 111.059 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -66.62 130.15 42.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.271 -0.422 . . . . 74.53 110.913 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -107.67 111.3 23.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 74.24 111.113 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt -62.81 -67.77 0.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 72.22 110.832 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.3 m -118.03 71.74 8.52 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.637 0.732 . . . . 71.52 110.932 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 149.15 66.24 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.728 2.286 . . . . 74.22 112.342 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 25.4 mmtm -123.97 156.59 36.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 73.44 110.822 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.6 mt -98.87 93.02 5.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 73.34 110.94 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.481 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 19.4 mt -47.58 163.45 0.27 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.643 0.735 . . . . 71.54 110.904 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.481 ' HD2' ' HB3' ' A' ' 70' ' ' LEU . 54.1 Cg_endo -69.75 -5.65 16.7 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.74 2.293 . . . . 73.5 112.337 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 76.6 m -104.63 14.82 29.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 71.12 110.944 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.4 mt 68.22 32.87 4.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 73.21 110.892 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -99.72 165.49 11.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 75.22 110.861 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 51.1 m -122.57 104.82 9.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 74.21 111.177 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.7 mp -117.8 171.74 7.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 72.44 110.853 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 28.9 p -98.92 164.61 12.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 71.55 110.899 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 78.5 p -52.3 -56.85 12.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 75.32 110.862 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -52.09 -30.28 30.56 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.73 -0.748 . . . . 61.54 112.55 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.1 m -72.6 -33.54 66.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.87 0.366 . . . . 74.13 110.872 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -68.39 -42.76 78.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.1 -0.5 . . . . 74.23 110.894 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -78.67 -49.44 13.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 72.53 110.853 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.32 -54.33 30.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 73.21 111.138 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.536 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.8 OUTLIER -83.81 14.99 3.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 72.32 110.869 -179.861 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 37.97 47.64 1.9 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.731 -0.747 . . . . 74.04 112.523 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 17.5 mtt 65.34 35.35 7.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.742 0.306 . . . . 74.52 110.917 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.536 ' HB2' ' O ' ' A' ' 84' ' ' SER . 0.5 OUTLIER -61.12 -166.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 74.24 110.928 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -141.93 71.31 23.94 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.658 0.742 . . . . 52.14 110.865 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -42.53 3.27 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.685 2.256 . . . . 72.2 112.347 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 22.6 mm . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 73.03 111.169 179.873 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.791 0.329 . . . . 74.54 110.949 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -117.26 159.87 22.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 73.31 110.927 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -60.11 -24.09 64.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 71.44 110.888 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 21.4 p90 -124.74 138.95 54.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 64.25 110.863 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -107.08 66.51 0.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 75.34 110.939 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -139.57 163.96 31.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 75.21 110.892 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 46.5 mt -93.28 -178.69 4.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.16 -0.473 . . . . 74.24 110.957 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.1 tmm_? -153.1 116.17 4.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 74.51 110.869 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.533 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 8.4 t -49.73 121.71 5.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 65.02 110.879 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -77.29 1.44 18.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.472 . . . . 74.22 110.937 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.411 ' HG3' ' N ' ' A' ' 60' ' ' CYS . 0.0 OUTLIER -118.8 -23.6 6.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 74.12 110.909 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.533 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 9.6 m -106.04 -24.46 12.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 72.01 110.911 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 63.25 35.99 12.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 74.33 110.89 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -141.44 179.62 6.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 64.33 111.141 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -64.91 131.3 46.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 74.53 110.9 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.54 110.47 22.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 74.24 111.087 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 38.7 mtmt -63.17 -53.0 60.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 72.22 110.912 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.6 m -136.66 69.97 59.33 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.658 0.742 . . . . 71.52 110.897 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 153.68 68.78 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.692 2.261 . . . . 74.22 112.317 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 26.3 mmtt -138.98 156.56 47.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 73.44 110.924 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 32.5 mt -90.42 97.22 11.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 73.34 110.902 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.408 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 20.2 mt -47.87 161.38 0.36 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.602 0.715 . . . . 71.54 110.936 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.408 ' HD2' ' HB3' ' A' ' 70' ' ' LEU . 52.7 Cg_endo -69.83 -6.96 19.88 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.689 2.259 . . . . 73.5 112.298 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.19 15.85 28.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 71.12 110.885 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.9 mt 67.63 43.72 1.8 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 73.21 110.936 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -120.49 163.99 17.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 75.22 110.886 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.7 m -117.02 114.07 23.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 74.21 111.173 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.2 mp -126.75 172.29 10.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 72.44 110.945 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 30.7 p -98.74 162.45 13.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 71.55 110.85 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.45 -56.33 11.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 75.32 110.869 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.25 -28.09 41.62 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.711 -0.757 . . . . 61.54 112.471 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -71.78 -35.11 69.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.865 0.364 . . . . 74.13 110.866 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.1 mp -70.02 -40.31 75.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 74.23 110.905 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -78.54 -47.51 17.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 72.53 110.922 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.26 -54.63 11.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 73.21 111.076 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 87' ' ' GLN . 0.1 OUTLIER -83.58 13.52 4.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 72.32 110.838 -179.744 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 40.02 46.36 3.19 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.738 -0.744 . . . . 74.04 112.504 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 5.2 mtp 63.43 36.18 11.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.709 0.29 . . . . 74.52 110.851 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 84' ' ' SER . 0.5 OUTLIER -61.78 -167.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 74.24 110.895 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -137.58 70.7 52.41 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.648 0.737 . . . . 52.14 110.921 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -40.66 5.07 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.622 2.215 . . . . 72.2 112.352 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 18.9 mm -63.33 -15.36 15.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 73.03 111.14 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . 0.836 ' SG ' 'ZN ' ' A' ' 202' ' ' ' ZN' . 0.1 OUTLIER -73.56 -5.46 40.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 75.11 110.865 179.93 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -57.35 -33.61 67.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 75.44 110.903 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -138.94 146.8 51.36 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.581 0.705 . . . . 72.13 111.104 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 70.55 1.59 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.711 2.274 . . . . 65.42 112.319 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 1.8 p-90 -71.43 155.43 92.74 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.515 0.674 . . . . 75.44 110.941 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 115.89 4.3 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.711 2.274 . . . . 74.21 112.339 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.8 mp -83.8 -173.15 4.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 75.41 110.92 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 108.58 -23.28 24.7 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 70.54 112.488 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -121.28 102.51 8.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.738 0.304 . . . . 70.3 111.1 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -156.5 101.9 2.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 73.42 110.825 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.1 157.32 67.13 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.524 0.678 . . . . 71.21 111.176 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -178.44 2.35 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.697 2.265 . . . . 64.12 112.375 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -90.18 151.93 21.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 73.33 111.119 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.1 mp . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 74.42 110.931 -179.965 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . 0.836 'ZN ' ' SG ' ' A' ' 91' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.894 0.378 . . . . 74.54 110.798 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -108.34 161.19 15.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 73.31 110.896 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -151.25 133.0 14.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 71.44 110.883 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 31.6 p90 -80.13 150.96 30.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 64.25 110.911 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.0 pm0 -105.55 67.98 0.78 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 75.34 110.923 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -142.64 155.76 44.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 75.21 110.9 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.2 mt -110.2 -169.36 1.45 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 74.24 110.957 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.9 tmm_? -150.29 117.53 6.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 74.51 110.903 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.506 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 9.2 t -50.44 120.32 4.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 65.02 110.834 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -76.76 0.99 18.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 74.22 110.878 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.88 -20.93 8.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 74.12 110.841 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.506 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 14.9 m -110.65 -17.74 13.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 72.01 110.826 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 55.85 37.12 28.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 74.33 110.902 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -141.76 178.96 7.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 64.33 111.13 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -66.88 129.55 40.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 74.53 110.867 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -106.08 112.04 24.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 74.24 111.052 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.6 mtmm -64.24 -63.9 1.02 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 72.22 110.873 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.5 m -120.23 71.21 16.76 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.59 0.709 . . . . 71.52 110.856 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 150.67 68.63 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.695 2.263 . . . . 74.22 112.376 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt -126.17 156.36 40.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 73.44 110.931 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.5 mt -97.29 94.64 7.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 73.34 110.96 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.445 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 19.9 mt -49.13 162.44 0.39 Allowed Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.599 0.714 . . . . 71.54 110.89 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.445 ' HD2' ' HB3' ' A' ' 70' ' ' LEU . 53.6 Cg_endo -69.79 -6.91 19.73 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.671 2.247 . . . . 73.5 112.307 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 69.6 m -103.73 14.62 30.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 71.12 110.86 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.1 mt 68.42 34.23 3.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 73.21 110.942 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -102.27 165.05 11.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 75.22 110.929 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 56.4 m -119.74 107.77 13.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.281 -0.418 . . . . 74.21 111.127 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.8 mp -120.35 171.58 8.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 72.44 110.927 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 30.0 p -99.7 162.43 13.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 71.55 110.862 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -51.67 -55.54 18.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 75.32 110.858 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -52.67 -29.16 32.13 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.766 -0.731 . . . . 61.54 112.522 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.1 m -73.82 -33.5 64.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.91 0.386 . . . . 74.13 110.896 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -67.21 -43.44 82.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 74.23 110.896 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -78.49 -49.64 13.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 72.53 110.901 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.47 -54.34 34.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 73.21 111.154 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.523 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.8 OUTLIER -83.88 13.47 4.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 72.32 110.816 -179.806 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 39.1 46.87 2.51 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.762 -0.733 . . . . 74.04 112.534 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.6 mtt 66.31 35.8 5.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.69 0.281 . . . . 74.52 110.849 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.523 ' HB2' ' O ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -62.56 -166.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 74.24 110.916 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.34 71.95 21.73 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.651 0.738 . . . . 52.14 110.936 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -42.29 3.48 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.704 2.269 . . . . 72.2 112.305 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.1 mm -63.61 -16.14 17.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 73.03 111.175 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . 0.832 ' SG ' 'ZN ' ' A' ' 202' ' ' ' ZN' . 0.1 OUTLIER -71.92 -8.02 51.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 75.11 110.85 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -65.1 -39.64 93.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 75.44 110.918 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -128.7 140.07 37.43 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.587 0.708 . . . . 72.13 111.07 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 62.32 1.75 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.717 2.278 . . . . 65.42 112.338 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 1.3 p-90 -60.52 157.41 36.62 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.514 0.673 . . . . 75.44 110.885 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.75 113.95 3.54 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.734 2.289 . . . . 74.21 112.325 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.7 mp -63.46 140.64 58.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 75.41 110.898 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -127.12 -22.37 1.56 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.71 -0.757 . . . . 70.54 112.484 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 65.28 37.27 6.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.826 0.346 . . . . 70.3 111.129 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -77.26 115.55 17.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 73.42 110.882 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -56.87 159.68 6.96 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.548 0.689 . . . . 71.21 111.141 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 168.61 21.02 Favored 'Trans proline' 0 C--O 1.23 0.124 0 C-N-CA 122.75 2.3 . . . . 64.12 112.35 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -81.2 151.9 27.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 73.33 111.075 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 74.42 110.984 179.959 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . 0.832 'ZN ' ' SG ' ' A' ' 91' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.82 0.343 . . . . 74.54 110.892 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -74.11 104.65 5.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 73.31 110.837 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -61.14 -172.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 71.44 110.91 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -120.24 139.71 52.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 64.25 110.891 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -88.72 127.1 35.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.124 -0.489 . . . . 75.34 110.888 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -162.99 171.19 16.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 75.21 110.868 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.6 mt -80.43 -178.01 6.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 74.24 110.924 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.9 tmm_? -143.85 117.82 9.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 74.51 110.88 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.514 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 9.6 t -50.81 120.35 4.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 65.02 110.903 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -76.89 1.21 18.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.138 -0.483 . . . . 74.22 110.921 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.74 -20.68 8.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.443 . . . . 74.12 110.938 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.514 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 8.1 m -110.11 -21.49 12.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 72.01 110.853 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 60.04 36.31 21.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 74.33 110.965 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -142.14 178.96 7.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 64.33 111.138 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -65.06 131.28 46.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.316 -0.402 . . . . 74.53 110.882 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -108.44 111.75 23.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 74.24 111.091 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -64.3 -66.32 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 72.22 110.964 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.3 m -117.54 70.47 6.58 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.616 0.722 . . . . 71.52 110.944 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 148.57 65.86 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.691 2.26 . . . . 74.22 112.349 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -122.61 156.09 34.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 73.44 110.838 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 49.0 mt -99.87 92.6 5.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 73.34 110.909 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.431 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 20.1 mt -49.09 161.61 0.43 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.56 0.695 . . . . 71.54 110.916 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.431 ' HD2' ' HB3' ' A' ' 70' ' ' LEU . 53.7 Cg_endo -69.78 -6.81 19.49 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.725 2.283 . . . . 73.5 112.354 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 98.9 m -101.7 13.43 34.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 71.12 110.846 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 69.6 32.28 3.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 73.21 110.939 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -100.84 164.53 11.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.198 -0.455 . . . . 75.22 110.844 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.1 m -122.49 105.46 10.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 74.21 111.185 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.8 mp -116.57 171.67 7.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 72.44 110.913 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 29.5 p -100.69 158.77 15.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 71.55 110.912 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.94 -54.3 16.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 75.32 110.844 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.27 -30.31 39.61 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.766 -0.731 . . . . 61.54 112.467 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.1 m -74.15 -32.9 63.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.897 0.379 . . . . 74.13 110.887 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -67.26 -43.22 82.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 74.23 110.888 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -78.67 -46.45 19.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 72.53 110.939 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.34 -53.88 25.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 73.21 111.067 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.474 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.1 OUTLIER -83.69 13.75 4.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 72.32 110.841 -179.779 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 40.02 46.57 3.23 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.769 -0.729 . . . . 74.04 112.443 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 14.5 mtm 64.9 36.42 7.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.691 0.281 . . . . 74.52 110.875 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.474 ' HB2' ' O ' ' A' ' 84' ' ' SER . 0.9 OUTLIER -63.7 -165.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 74.24 110.897 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -143.71 71.63 17.25 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.61 0.719 . . . . 52.14 110.834 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 -41.39 4.22 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.597 2.198 . . . . 72.2 112.369 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 17.8 mm -66.46 -20.09 26.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.438 . . . . 73.03 111.099 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.29 -22.96 13.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 75.11 110.89 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 82.6 mm-40 -82.58 -32.08 28.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 75.44 110.85 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.411 ' HA ' ' HD2' ' A' ' 94' ' ' PRO . . . -102.77 101.61 21.81 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.555 0.693 . . . . 72.13 111.082 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 93' ' ' ALA . 53.7 Cg_endo -69.77 73.28 1.39 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.603 2.202 . . . . 65.42 112.381 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.404 ' HB2' ' HD2' ' A' ' 96' ' ' PRO . 0.2 OUTLIER -89.16 157.45 47.99 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.58 0.705 . . . . 75.44 110.903 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.404 ' HD2' ' HB2' ' A' ' 95' ' ' TRP . 53.8 Cg_endo -69.79 115.34 4.05 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.665 2.243 . . . . 74.21 112.348 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -92.45 43.38 1.13 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 75.41 110.906 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -50.25 -73.8 0.34 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.779 -0.724 . . . . 70.54 112.46 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -103.65 99.49 9.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.707 0.289 . . . . 70.3 111.19 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -111.02 100.86 9.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.265 -0.425 . . . . 73.42 110.893 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.27 158.26 61.48 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.565 0.697 . . . . 71.21 111.172 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -174.43 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.692 2.261 . . . . 64.12 112.281 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -89.05 151.78 22.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 73.33 111.087 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 8.2 mp . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 74.42 110.9 -179.944 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.9 mp0 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.831 0.348 . . . . 74.54 110.885 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -133.63 124.57 27.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 73.31 110.892 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -148.84 -175.02 4.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.488 . . . . 71.44 110.91 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -107.11 118.94 38.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 64.25 110.924 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -53.23 109.01 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 75.34 110.925 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -151.58 166.61 30.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 75.21 110.882 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.1 mt -123.44 -168.17 1.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 74.24 110.905 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.0 tmm_? -145.03 117.85 8.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 74.51 110.849 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.535 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 8.8 t -51.51 122.22 7.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 65.02 110.882 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -77.48 1.23 19.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 74.22 110.942 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.76 -21.27 7.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.455 . . . . 74.12 110.915 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.535 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 8.8 m -108.92 -24.1 11.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 72.01 110.917 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 63.19 36.62 11.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 74.33 110.926 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -141.97 178.05 7.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 64.33 111.092 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -64.32 130.58 44.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 74.53 110.958 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.54 108.42 19.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 74.24 111.125 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.4 mtmm -63.82 -60.72 2.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 72.22 110.94 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.6 m -125.46 70.9 64.55 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.57 0.7 . . . . 71.52 110.864 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 151.68 69.48 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.678 2.252 . . . . 74.22 112.334 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt -126.89 156.45 41.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 73.44 110.95 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.5 mp -95.21 93.78 7.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 73.34 110.858 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.414 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 19.8 mt -48.36 161.66 0.38 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.682 0.753 . . . . 71.54 110.888 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.414 ' HD2' ' HB3' ' A' ' 70' ' ' LEU . 53.7 Cg_endo -69.71 -7.47 21.12 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.693 2.262 . . . . 73.5 112.347 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 67.8 m -103.97 15.64 28.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 71.12 110.935 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.9 mt 69.31 26.53 5.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.071 -0.513 . . . . 73.21 110.916 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -96.28 164.79 12.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.265 -0.425 . . . . 75.22 110.871 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 24.0 m -120.6 111.0 17.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 74.21 111.131 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.8 mp -122.38 171.95 8.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 72.44 110.89 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 31.1 p -99.06 160.64 14.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 71.55 110.889 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.59 -54.79 19.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 75.32 110.838 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.09 -29.18 35.32 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.826 -0.702 . . . . 61.54 112.49 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.1 m -74.77 -33.96 62.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.856 0.36 . . . . 74.13 110.835 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -66.68 -42.41 86.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 74.23 110.961 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -79.3 -49.66 12.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 72.53 110.901 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.39 -53.82 42.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 73.21 111.075 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.52 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.8 OUTLIER -83.32 13.2 4.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 72.32 110.815 -179.734 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 39.52 46.17 2.74 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.763 -0.732 . . . . 74.04 112.481 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 5.0 mtp 67.09 36.28 4.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.693 0.282 . . . . 74.52 110.865 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.52 ' HB2' ' O ' ' A' ' 84' ' ' SER . 0.6 OUTLIER -63.46 -166.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 74.24 110.893 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -142.95 71.87 18.79 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.642 0.734 . . . . 52.14 110.906 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 -41.84 3.83 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.639 2.226 . . . . 72.2 112.335 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 18.5 mm -64.54 -14.9 16.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 73.03 111.159 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . 0.814 ' SG ' 'ZN ' ' A' ' 202' ' ' ' ZN' . 0.0 OUTLIER -71.99 -6.97 45.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.473 . . . . 75.11 110.847 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -57.05 -36.19 70.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 75.44 110.96 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -138.6 143.65 38.96 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.596 0.712 . . . . 72.13 111.125 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 72.31 1.44 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.732 2.288 . . . . 65.42 112.363 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 1.6 p-90 -74.42 157.61 86.16 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.506 0.669 . . . . 75.44 110.944 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 115.39 4.06 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.702 2.268 . . . . 74.21 112.346 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.4 pp -96.94 -173.23 2.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.26 -0.427 . . . . 75.41 110.98 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 104.94 16.84 15.67 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 70.54 112.525 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -121.22 45.85 2.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.808 0.337 . . . . 70.3 111.147 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -62.07 94.21 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 73.42 110.85 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.1 72.3 18.33 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.487 0.66 . . . . 71.21 111.097 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 155.32 66.27 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.687 2.258 . . . . 64.12 112.366 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -75.67 151.77 37.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.312 -0.404 . . . . 73.33 111.097 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 6.3 mp . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 74.42 110.942 -179.943 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . 0.814 'ZN ' ' SG ' ' A' ' 91' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.818 0.342 . . . . 74.54 110.893 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -105.49 174.15 6.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 73.31 110.924 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -151.71 178.95 8.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 71.44 110.92 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.5 p90 -117.72 169.6 9.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 64.25 110.908 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 -100.89 66.9 1.19 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 75.34 110.882 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -148.02 162.91 38.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 75.21 110.83 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.9 mt -112.86 -169.05 1.41 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.086 -0.506 . . . . 74.24 110.928 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -151.55 117.66 5.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 74.51 110.889 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.509 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 10.2 t -50.5 119.11 3.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 65.02 110.839 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -76.33 1.73 15.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 74.22 110.983 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.81 -20.97 8.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 74.12 110.949 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.509 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 8.7 m -109.63 -24.07 11.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 72.01 110.853 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 63.06 37.81 11.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 74.33 110.838 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -144.34 179.27 7.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.292 -0.413 . . . . 64.33 111.091 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -66.84 128.98 38.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 74.53 110.921 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -105.93 112.77 25.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 74.24 111.152 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.86 -66.47 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 72.22 110.939 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.5 m -117.36 71.08 6.38 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.624 0.726 . . . . 71.52 110.893 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 147.8 64.13 Favored 'Trans proline' 0 N--CA 1.465 -0.196 0 C-N-CA 122.742 2.295 . . . . 74.22 112.404 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 21.0 mmtm -123.59 156.25 36.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 73.44 110.876 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -97.51 95.87 7.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 73.34 110.907 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.438 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 19.9 mt -49.09 162.45 0.39 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.648 0.737 . . . . 71.54 110.919 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.438 ' HD2' ' HB3' ' A' ' 70' ' ' LEU . 53.8 Cg_endo -69.73 -6.28 18.2 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.697 2.264 . . . . 73.5 112.329 179.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 86.5 m -104.34 12.68 33.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 71.12 110.851 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.5 mt 70.34 34.52 2.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 73.21 110.869 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -102.55 164.7 11.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 75.22 110.894 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.0 m -118.53 110.16 17.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 74.21 111.159 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.6 mp -122.84 171.19 9.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.256 -0.429 . . . . 72.44 110.901 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 30.0 p -99.95 160.78 14.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 71.55 110.829 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.76 -54.9 19.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 75.32 110.853 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.1 -29.4 35.96 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.756 -0.735 . . . . 61.54 112.506 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -73.71 -34.03 64.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.91 0.386 . . . . 74.13 110.835 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -66.29 -43.69 85.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 74.23 110.916 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -77.68 -48.34 16.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 72.53 110.804 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.51 -54.26 30.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 73.21 111.07 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.513 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.9 OUTLIER -83.06 12.55 4.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 72.32 110.845 -179.775 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 39.62 45.59 2.72 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.762 -0.733 . . . . 74.04 112.536 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.3 mtm 67.94 36.04 3.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.784 0.326 . . . . 74.52 110.877 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.513 ' HB2' ' O ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -63.85 -165.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.268 -0.423 . . . . 74.24 110.928 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -143.11 72.01 18.34 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.657 0.741 . . . . 52.14 110.92 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -42.37 3.42 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.625 2.216 . . . . 72.2 112.342 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 18.5 mm -64.06 -15.54 17.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 73.03 111.188 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . 0.811 ' SG ' 'ZN ' ' A' ' 202' ' ' ' ZN' . 0.0 OUTLIER -70.36 -9.23 55.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 75.11 110.87 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 38.1 mm-40 -57.59 -37.49 73.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 75.44 110.921 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -139.36 145.02 42.47 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.54 0.686 . . . . 72.13 111.126 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 64.28 1.77 Allowed 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.743 2.295 . . . . 65.42 112.329 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -65.38 157.25 78.81 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-O 121.538 0.685 . . . . 75.44 110.894 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 117.43 5.08 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.663 2.242 . . . . 74.21 112.351 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.47 -176.03 2.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 75.41 110.884 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -177.84 27.57 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.72 -0.752 . . . . 70.54 112.458 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 54.08 36.3 24.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.833 0.349 . . . . 70.3 111.094 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -62.53 113.4 2.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 73.42 110.853 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -60.1 159.7 20.13 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.586 0.708 . . . . 71.21 111.145 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -170.67 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.632 2.222 . . . . 64.12 112.289 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -91.98 151.82 20.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 73.33 111.086 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 8.2 mp . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.223 -0.444 . . . . 74.42 110.877 -179.936 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . 0.811 'ZN ' ' SG ' ' A' ' 91' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.77 0.319 . . . . 74.54 110.869 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -114.93 172.82 6.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 73.31 110.907 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -94.0 -175.8 3.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 71.44 110.93 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -126.1 105.29 8.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 64.25 110.872 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.5 pm0 -108.08 66.47 0.65 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.176 -0.466 . . . . 75.34 110.9 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -147.88 137.66 22.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 75.21 110.947 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.0 pp -129.18 171.0 12.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.466 . . . . 74.24 110.935 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -107.88 120.64 42.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 74.51 110.851 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.527 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 9.2 t -52.86 122.91 10.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 65.02 110.854 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -77.4 1.58 18.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 74.22 110.916 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.58 -22.49 6.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 74.12 110.873 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.527 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 10.3 m -108.06 -24.04 11.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 72.01 110.889 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 63.9 34.91 11.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 74.33 110.919 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -140.95 178.9 7.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 64.33 111.096 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -63.59 131.35 47.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 74.53 110.925 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -107.13 107.2 18.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 74.24 111.074 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.7 mtmt -61.97 -70.99 0.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 72.22 110.915 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.6 m -116.5 71.56 4.92 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.537 0.684 . . . . 71.52 110.869 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.74 163.92 36.45 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.657 2.238 . . . . 74.22 112.408 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -138.41 156.06 47.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.289 -0.414 . . . . 73.44 110.954 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.9 95.62 8.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.275 -0.421 . . . . 73.34 110.922 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.428 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 19.8 mt -50.45 161.86 0.58 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.541 0.686 . . . . 71.54 110.955 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.428 ' HD2' ' HB3' ' A' ' 70' ' ' LEU . 54.3 Cg_endo -69.73 -7.38 20.91 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.647 2.231 . . . . 73.5 112.36 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 68.2 m -102.98 15.26 29.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 71.12 110.899 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.3 mt 71.58 21.36 4.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 73.21 110.911 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -92.9 165.02 13.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 75.22 110.872 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -125.25 112.14 16.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 74.21 111.129 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.0 mp -120.33 171.75 8.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 72.44 110.891 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.629 ' SG ' 'ZN ' ' A' ' 201' ' ' ' ZN' . 30.1 p -96.83 166.64 11.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 71.55 110.847 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 63.5 p -53.9 -56.8 14.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 75.32 110.821 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -52.83 -27.74 29.55 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.688 -0.767 . . . . 61.54 112.517 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.1 m -74.4 -35.49 63.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.844 0.354 . . . . 74.13 110.862 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -66.22 -42.73 88.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 74.23 110.855 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -78.25 -52.17 9.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 72.53 110.882 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.37 -54.37 41.34 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.159 -0.473 . . . . 73.21 111.12 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.524 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.1 OUTLIER -83.98 12.09 6.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 72.32 110.83 -179.792 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 38.86 47.24 2.39 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.724 -0.751 . . . . 74.04 112.531 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.6 mtm 66.54 35.86 5.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.675 0.274 . . . . 74.52 110.902 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.524 ' HB2' ' O ' ' A' ' 84' ' ' SER . 0.6 OUTLIER -63.12 -165.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 74.24 110.847 -179.886 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -141.24 71.93 27.04 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.645 0.736 . . . . 52.14 110.93 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -41.37 4.29 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.673 2.249 . . . . 72.2 112.31 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 16.3 mm -65.02 -15.0 17.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 73.03 111.107 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . 0.756 ' SG ' 'ZN ' ' A' ' 202' ' ' ' ZN' . 0.1 OUTLIER -74.67 -5.25 42.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 75.11 110.84 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -57.49 -33.59 68.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 75.44 110.939 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -138.76 149.0 60.52 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.633 0.73 . . . . 72.13 111.117 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 64.96 1.78 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.699 2.266 . . . . 65.42 112.369 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -68.18 158.35 84.52 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.544 0.688 . . . . 75.44 110.879 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 134.5 28.02 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.679 2.253 . . . . 74.21 112.342 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -121.69 -173.61 2.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 75.41 110.97 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 108.74 5.57 31.26 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.746 -0.74 . . . . 70.54 112.448 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -155.03 92.43 1.44 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.814 0.34 . . . . 70.3 111.138 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -121.21 100.03 6.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 73.42 110.812 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -110.61 83.03 3.14 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.566 0.698 . . . . 71.21 111.133 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 159.03 54.97 Favored 'Trans proline' 0 N--CA 1.466 -0.127 0 C-N-CA 122.721 2.281 . . . . 64.12 112.393 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -91.36 152.0 20.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.227 -0.442 . . . . 73.33 111.078 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 74.42 110.904 -179.975 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . 0.629 'ZN ' ' SG ' ' A' ' 77' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . 0.756 'ZN ' ' SG ' ' A' ' 91' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 . . . . . 0 CA--C 1.526 0.048 0 CA-C-O 120.825 0.345 . . . . 74.54 110.866 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -107.46 156.93 18.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 73.31 110.882 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -115.2 124.75 52.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 71.44 110.883 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -58.74 138.7 56.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 64.25 110.942 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -116.86 68.09 0.74 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 75.34 110.938 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -139.97 137.5 34.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 75.21 110.853 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.1 mt -97.36 -168.62 1.72 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 74.24 110.834 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.3 tmm_? -153.18 117.28 4.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 74.51 110.903 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.527 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 9.1 t -49.67 121.57 5.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 65.02 110.828 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -77.43 0.88 20.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 74.22 110.89 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.61 -21.71 8.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 74.12 110.878 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.527 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 7.3 m -108.39 -24.47 11.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 72.01 110.812 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 63.44 35.15 12.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.226 -0.443 . . . . 74.33 110.843 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -141.24 178.42 7.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 64.33 111.131 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -63.26 133.46 54.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.237 -0.438 . . . . 74.53 110.903 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -107.94 108.88 20.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 74.24 111.149 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt -64.44 -62.88 1.32 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 72.22 110.872 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.3 m -122.29 70.23 32.48 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.586 0.707 . . . . 71.52 110.897 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 151.49 68.77 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.689 2.259 . . . . 74.22 112.28 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.1 mtpp -126.74 156.12 41.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 73.44 110.918 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 28.3 mt -96.62 92.43 6.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 73.34 110.936 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.444 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 19.6 mt -47.73 162.42 0.31 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.605 0.717 . . . . 71.54 110.858 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.444 ' HD2' ' HB3' ' A' ' 70' ' ' LEU . 54.1 Cg_endo -69.65 -6.79 19.39 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.697 2.265 . . . . 73.5 112.354 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 75.9 m -103.77 15.29 29.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 71.12 110.93 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.1 mt 67.9 31.54 5.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 73.21 110.904 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -99.8 164.63 11.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.295 -0.411 . . . . 75.22 110.839 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 41.9 m -120.28 105.74 11.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 74.21 111.14 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.7 mp -117.73 171.44 8.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 72.44 110.898 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 30.3 p -99.92 160.42 14.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 71.55 110.926 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.06 -55.21 15.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 75.32 110.886 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -52.69 -29.67 33.48 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.704 -0.76 . . . . 61.54 112.482 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.1 m -74.53 -33.72 62.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.904 0.383 . . . . 74.13 110.872 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -66.65 -43.15 85.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 74.23 110.911 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -78.38 -50.27 12.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 72.53 110.835 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.39 -53.55 50.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.135 -0.484 . . . . 73.21 111.069 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.544 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.1 OUTLIER -84.87 13.25 6.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 72.32 110.823 -179.719 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 38.52 48.24 2.28 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.744 -0.741 . . . . 74.04 112.517 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 25.2 mtm 65.78 35.97 6.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.794 0.331 . . . . 74.52 110.924 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.544 ' HB2' ' O ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -63.37 -165.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 74.24 110.905 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -143.06 72.65 18.37 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.639 0.733 . . . . 52.14 110.88 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -40.66 5.07 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.687 2.258 . . . . 72.2 112.3 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 15.3 mm -65.44 -14.42 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 73.03 111.19 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . 0.748 ' SG ' 'ZN ' ' A' ' 202' ' ' ' ZN' . 0.1 OUTLIER -78.78 -1.38 34.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 75.11 110.874 179.885 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -58.15 -29.59 65.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 75.44 110.965 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -137.74 152.94 73.51 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.608 0.718 . . . . 72.13 111.114 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 66.56 1.74 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.686 2.257 . . . . 65.42 112.445 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -76.88 160.36 76.73 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.575 0.702 . . . . 75.44 110.932 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 114.98 3.87 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.727 2.285 . . . . 74.21 112.381 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.1 mp -71.9 174.9 6.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 75.41 110.891 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.0 99.19 0.83 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.743 -0.741 . . . . 70.54 112.457 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 179.75 35.72 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.914 0.388 . . . . 70.3 111.155 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -66.52 91.78 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 73.42 110.856 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -143.25 74.24 17.53 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 121.551 0.691 . . . . 71.21 111.136 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 151.04 68.9 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.743 2.295 . . . . 64.12 112.323 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.39 153.92 42.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 73.33 111.12 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.456 . . . . 74.42 110.863 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . 0.748 'ZN ' ' SG ' ' A' ' 91' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.737 0.303 . . . . 74.54 110.849 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -97.53 178.59 5.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 73.31 110.875 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -73.33 -29.06 62.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 71.44 110.855 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -162.22 165.41 26.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 64.25 110.892 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.4 pm0 -110.73 66.48 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 75.34 110.907 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -150.06 135.53 18.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 75.21 110.877 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.5 pp -127.9 174.68 8.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 74.24 110.894 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -110.91 129.1 55.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.205 -0.452 . . . . 74.51 110.856 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.542 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 9.1 t -60.81 123.91 18.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 65.02 110.845 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 23.4 mm100 -77.5 1.29 19.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 74.22 110.886 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.405 ' HG3' ' N ' ' A' ' 60' ' ' CYS . 0.0 OUTLIER -119.62 -22.86 6.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 74.12 110.914 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.542 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 10.6 m -107.64 -23.72 12.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 72.01 110.918 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 63.68 36.51 10.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 74.33 110.893 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -142.99 177.44 8.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 64.33 111.127 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -62.11 131.46 49.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 74.53 110.844 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -108.35 107.52 18.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.472 . . . . 74.24 111.11 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.7 mtmt -62.64 -71.18 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 72.22 110.875 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.6 m -114.08 71.91 2.15 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.619 0.723 . . . . 71.52 110.866 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.72 163.05 39.68 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.714 2.276 . . . . 74.22 112.325 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -139.5 156.07 47.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.188 -0.46 . . . . 73.44 110.85 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.2 mt -94.69 114.04 25.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 73.34 110.915 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -50.86 161.23 0.69 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.605 0.717 . . . . 71.54 110.946 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -7.9 22.23 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.692 2.261 . . . . 73.5 112.312 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 3.8 m -106.39 -71.38 0.75 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 71.12 110.942 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 175.14 55.25 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 73.21 110.92 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -133.97 165.39 25.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 75.22 110.898 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.0 m -125.03 117.28 23.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 74.21 111.145 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.9 mp -119.86 172.09 7.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 72.44 110.931 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 31.5 p -97.82 160.86 14.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 71.55 110.884 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.07 -53.99 28.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 75.32 110.921 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.71 -28.65 38.97 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.768 -0.729 . . . . 61.54 112.463 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.1 m -74.66 -32.88 62.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.908 0.385 . . . . 74.13 110.922 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.27 -43.34 82.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 74.23 110.941 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -78.15 -44.15 26.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 72.53 110.85 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.93 -52.81 31.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 73.21 111.14 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.566 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.7 OUTLIER -83.16 14.83 3.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 72.32 110.887 -179.849 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 39.8 44.5 2.63 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.722 -0.752 . . . . 74.04 112.438 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 69.15 36.74 2.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.658 0.266 . . . . 74.52 110.833 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.566 ' HB2' ' O ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -68.74 -163.71 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.302 -0.408 . . . . 74.24 110.901 -179.918 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -152.58 72.19 7.43 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.574 0.702 . . . . 52.14 110.858 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 -37.87 8.52 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.718 2.278 . . . . 72.2 112.299 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 21.7 mm -68.37 -15.8 20.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 73.03 111.154 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.37 -19.59 23.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 75.11 110.883 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -70.56 -10.22 58.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 75.44 110.938 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -117.23 83.04 15.14 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.54 0.686 . . . . 72.13 111.079 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 94.55 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.68 2.254 . . . . 65.42 112.338 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.409 ' HB2' ' HD2' ' A' ' 96' ' ' PRO . 1.3 p-90 -130.14 155.56 80.58 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.555 0.693 . . . . 75.44 110.915 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.409 ' HD2' ' HB2' ' A' ' 95' ' ' TRP . 53.9 Cg_endo -69.75 123.04 9.71 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.66 2.24 . . . . 74.21 112.363 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.58 165.82 14.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 75.41 110.875 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 172.81 -25.84 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 70.54 112.498 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -126.66 87.45 2.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.835 0.35 . . . . 70.3 111.088 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -128.2 112.85 14.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 73.42 110.857 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.33 87.64 36.05 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.547 0.689 . . . . 71.21 111.143 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 159.05 54.9 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.652 2.234 . . . . 64.12 112.401 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -82.74 153.79 25.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 73.33 111.063 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 74.42 110.914 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.8 0.334 . . . . 74.54 110.924 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -110.82 174.39 5.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 73.31 110.973 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -131.03 -174.07 3.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 71.44 110.868 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -106.1 159.93 15.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 64.25 110.888 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -91.38 97.45 11.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 75.34 110.982 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -142.44 149.4 39.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 75.21 110.964 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 53.1 mt -94.12 170.05 9.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 74.24 110.926 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? -139.37 116.59 11.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 74.51 110.846 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.502 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 10.2 t -49.84 119.35 3.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 65.02 110.913 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 23.7 mm100 -76.5 0.89 18.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 74.22 110.883 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.81 -20.86 9.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 74.12 110.901 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.502 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 7.2 m -109.44 -24.69 10.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 72.01 110.942 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 63.68 37.16 10.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 74.33 110.921 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -142.63 177.9 7.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 64.33 111.07 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.49 132.61 53.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 74.53 110.827 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -110.73 109.51 19.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 74.24 111.09 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.82 -67.78 0.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 72.22 110.826 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -118.6 71.74 10.08 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.632 0.73 . . . . 71.52 110.84 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 141.81 46.45 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.736 2.29 . . . . 74.22 112.32 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -116.11 156.23 26.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 73.44 110.947 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.0 mt -98.7 94.8 6.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.212 -0.449 . . . . 73.34 110.959 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.443 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 19.7 mt -47.65 162.39 0.31 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.657 0.742 . . . . 71.54 110.943 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.443 ' HD2' ' HB3' ' A' ' 70' ' ' LEU . 54.0 Cg_endo -69.75 -6.39 18.49 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.72 2.28 . . . . 73.5 112.371 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 81.5 m -103.82 14.0 31.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 71.12 110.865 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.3 mt 69.08 33.61 3.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 73.21 110.873 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -101.93 164.76 11.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 75.22 110.874 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 94.8 m -119.55 113.61 20.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.296 -0.411 . . . . 74.21 111.161 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.0 mp -126.26 171.75 10.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 72.44 110.898 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 27.8 p -100.46 161.01 13.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 71.55 110.862 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.29 -54.31 22.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 75.32 110.823 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.42 -31.91 44.2 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.753 -0.737 . . . . 61.54 112.49 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.1 m -71.4 -33.47 69.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.837 0.351 . . . . 74.13 110.866 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -66.52 -43.4 85.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 74.23 110.909 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -79.54 -48.97 12.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 72.53 110.873 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.03 -55.44 16.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 73.21 111.11 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 87' ' ' GLN . 0.8 OUTLIER -81.82 13.31 3.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 72.32 110.89 -179.806 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 40.62 46.58 3.74 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 74.04 112.432 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 62.8 35.45 13.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.705 0.288 . . . . 74.52 110.9 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -61.98 -168.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 74.24 110.906 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -137.9 70.01 50.36 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.639 0.733 . . . . 52.14 110.844 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.84 -42.38 3.37 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.678 2.252 . . . . 72.2 112.269 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 30.2 mm -63.99 -26.04 39.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 73.03 111.177 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . 0.86 ' SG ' 'ZN ' ' A' ' 202' ' ' ' ZN' . 0.0 OUTLIER -51.24 -24.86 4.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 75.11 110.913 179.883 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -98.7 -26.26 14.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 75.44 110.953 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -72.55 152.49 91.74 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.601 0.715 . . . . 72.13 111.089 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.76 -5.33 15.96 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.645 2.23 . . . . 65.42 112.324 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 9.2 t-105 -52.79 120.25 18.36 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.602 0.715 . . . . 75.44 110.919 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 157.56 59.79 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.621 2.214 . . . . 74.21 112.346 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.47 172.02 7.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 75.41 110.936 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 176.11 -148.07 9.01 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.75 -0.738 . . . . 70.54 112.491 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -113.5 14.82 19.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.745 0.307 . . . . 70.3 111.08 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.1 110.71 0.39 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 73.42 110.887 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.05 160.88 81.48 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.614 0.721 . . . . 71.21 111.126 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -170.82 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.633 2.222 . . . . 64.12 112.369 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -88.72 152.15 21.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 73.33 111.103 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.4 mp . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 74.42 110.924 -179.985 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . 0.86 'ZN ' ' SG ' ' A' ' 91' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.759 0.314 . . . . 74.54 110.92 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -95.19 -178.23 4.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 73.31 110.906 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -53.95 173.05 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 71.44 110.883 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.1 p90 -52.77 162.28 0.62 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 64.25 110.884 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.44 78.53 1.49 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 75.34 110.949 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -140.2 154.71 47.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 75.21 110.919 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 22.4 mt -79.39 174.19 11.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 74.24 110.959 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.0 tmm_? -142.94 115.84 8.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 74.51 110.822 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.518 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 8.9 t -51.74 121.77 7.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 65.02 110.895 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -76.73 -1.03 25.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 74.22 110.937 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.7 -20.55 9.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 74.12 110.854 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.518 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 14.9 m -111.43 -14.27 13.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 72.01 110.863 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 52.09 38.84 25.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 74.33 110.944 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -141.9 179.47 6.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 64.33 111.039 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -62.96 134.61 56.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.135 -0.484 . . . . 74.53 110.87 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -113.51 108.06 16.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 74.24 111.12 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 42.3 mtmt -63.9 -68.73 0.33 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 72.22 110.956 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.3 m -115.8 70.97 3.69 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.662 0.744 . . . . 71.52 110.868 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 152.59 69.43 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.722 2.281 . . . . 74.22 112.355 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -125.6 156.07 39.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 73.44 110.901 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 66.5 mt -101.98 91.46 4.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 73.34 110.895 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.465 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 19.9 mt -48.75 162.55 0.36 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.68 0.753 . . . . 71.54 110.904 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.465 ' HD2' ' HB3' ' A' ' 70' ' ' LEU . 54.1 Cg_endo -69.69 -7.0 19.92 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.692 2.261 . . . . 73.5 112.357 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 84.1 m -101.52 13.04 36.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 71.12 110.947 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.3 mt 69.79 33.72 2.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.494 . . . . 73.21 110.881 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -100.83 164.88 11.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 75.22 110.894 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 89.1 m -125.36 104.5 8.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 74.21 111.205 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.5 mp -115.34 172.52 7.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 72.44 110.895 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 26.8 p -100.43 167.94 10.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 71.55 110.89 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 97.3 p -54.55 -57.21 12.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 75.32 110.874 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -51.57 -31.99 30.62 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.675 -0.774 . . . . 61.54 112.456 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.2 m -70.92 -33.37 70.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.849 0.356 . . . . 74.13 110.88 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -67.52 -43.63 80.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 74.23 110.891 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -79.25 -51.7 9.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 72.53 110.818 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.15 -55.42 21.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 73.21 111.075 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.466 ' O ' ' N ' ' A' ' 87' ' ' GLN . 0.9 OUTLIER -84.31 14.74 4.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 72.32 110.823 -179.713 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 38.33 49.14 2.25 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.688 -0.768 . . . . 74.04 112.542 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.2 mtm 60.44 36.33 20.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.707 0.289 . . . . 74.52 110.872 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -60.08 -168.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.248 -0.433 . . . . 74.24 110.975 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -137.95 70.41 49.82 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.623 0.725 . . . . 52.14 110.885 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -42.34 3.46 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.606 2.204 . . . . 72.2 112.357 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.6 mm -64.06 -15.9 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 73.03 111.164 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . 0.775 ' SG ' 'ZN ' ' A' ' 202' ' ' ' ZN' . 0.0 OUTLIER -69.96 -9.57 55.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 75.11 110.874 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -76.95 -39.37 50.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 75.44 110.961 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -110.61 131.38 22.11 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 121.567 0.699 . . . . 72.13 111.143 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.89 61.04 1.79 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.702 2.268 . . . . 65.42 112.254 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -54.76 158.08 4.79 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.577 0.703 . . . . 75.44 110.96 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.84 118.15 5.51 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.663 2.242 . . . . 74.21 112.297 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -81.07 169.37 17.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 75.41 110.895 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 105.34 -18.89 41.07 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.708 -0.758 . . . . 70.54 112.493 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -126.73 100.56 6.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 70.3 111.122 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -161.88 103.71 1.17 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.441 . . . . 73.42 110.844 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.62 159.26 60.84 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.611 0.72 . . . . 71.21 111.087 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -69.81 -176.12 1.39 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.682 2.255 . . . . 64.12 112.265 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -93.55 152.13 19.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.162 -0.472 . . . . 73.33 111.096 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 74.42 110.94 179.976 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . 0.775 'ZN ' ' SG ' ' A' ' 91' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.865 0.364 . . . . 74.54 110.926 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -142.85 162.92 34.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 73.31 110.905 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -128.57 142.05 51.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 71.44 110.869 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -66.73 138.52 57.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 64.25 110.815 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -107.19 66.94 0.68 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.09 -0.505 . . . . 75.34 110.905 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -141.86 153.43 44.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.458 . . . . 75.21 110.907 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.6 mt -114.58 -169.41 1.53 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.186 -0.461 . . . . 74.24 110.931 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.1 tmm_? -147.17 118.08 7.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 74.51 110.914 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.51 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 10.2 t -50.94 120.35 4.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 65.02 110.933 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.2 mm100 -76.86 -0.58 24.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 74.22 110.838 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.44 -20.53 10.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.311 -0.404 . . . . 74.12 110.91 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.51 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 14.4 m -110.66 -21.75 11.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 72.01 110.952 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 60.14 37.22 20.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 74.33 110.887 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -142.45 177.6 8.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 64.33 111.12 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -65.57 130.45 43.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 74.53 110.849 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -106.06 110.76 23.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 74.24 111.083 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 39.4 mtmt -60.38 -62.55 1.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 72.22 110.898 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -126.62 74.75 74.86 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.717 0.77 . . . . 71.52 110.856 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 155.46 65.71 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.707 2.271 . . . . 74.22 112.34 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.3 mtmt -134.32 156.14 48.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 73.44 110.917 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 55.1 mt -92.8 104.6 16.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 73.34 110.939 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.451 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 19.3 mt -48.19 161.9 0.36 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.652 0.739 . . . . 71.54 110.902 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.451 ' HD2' ' HB3' ' A' ' 70' ' ' LEU . 53.8 Cg_endo -69.67 -7.15 20.29 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.744 2.296 . . . . 73.5 112.359 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 1.3 m -96.32 -79.7 0.44 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.431 . . . . 71.12 110.891 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.6 pp 175.38 41.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 73.21 110.906 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -128.24 164.69 22.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.274 -0.421 . . . . 75.22 110.901 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 60.7 m -115.5 123.69 49.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.242 -0.435 . . . . 74.21 111.125 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.9 mp -124.93 171.44 10.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.308 -0.406 . . . . 72.44 110.97 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.652 ' SG ' 'ZN ' ' A' ' 201' ' ' ' ZN' . 29.9 p -95.83 159.41 14.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 71.55 110.842 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -49.03 -53.42 20.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 75.32 110.825 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -55.18 -29.35 52.2 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.728 -0.748 . . . . 61.54 112.465 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -73.67 -37.25 65.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.856 0.36 . . . . 74.13 110.835 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -63.94 -41.84 97.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 74.23 110.987 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -79.33 -52.38 8.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 72.53 110.892 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.16 -54.6 38.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 73.21 111.102 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.475 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.1 OUTLIER -82.12 12.37 4.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 72.32 110.926 -179.836 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 39.52 46.74 2.84 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.724 -0.751 . . . . 74.04 112.508 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 10.2 mtp 66.07 36.86 5.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.749 0.309 . . . . 74.52 110.886 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.475 ' HB2' ' O ' ' A' ' 84' ' ' SER . 0.1 OUTLIER -62.07 -164.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 74.24 110.9 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -147.12 71.14 12.12 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.631 0.729 . . . . 52.14 110.9 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -45.48 1.56 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.708 2.272 . . . . 72.2 112.282 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 20.4 mm -67.87 -15.07 19.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.279 -0.419 . . . . 73.03 111.171 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -50.41 -28.5 8.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 75.11 110.911 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -58.9 -33.07 70.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 75.44 110.833 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -113.05 91.18 17.63 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.598 0.713 . . . . 72.13 111.065 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 113.18 3.28 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.684 2.256 . . . . 65.42 112.377 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.426 ' HB2' ' HD2' ' A' ' 96' ' ' PRO . 0.1 OUTLIER -129.98 160.81 63.36 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.52 0.676 . . . . 75.44 110.917 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.426 ' HD2' ' HB2' ' A' ' 95' ' ' TRP . 53.0 Cg_endo -69.77 139.16 39.53 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.638 2.225 . . . . 74.21 112.337 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -110.32 158.64 18.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 75.41 110.936 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -130.7 -139.84 4.55 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.722 -0.751 . . . . 70.54 112.467 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -103.31 12.23 35.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.807 0.337 . . . . 70.3 111.154 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -61.26 94.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 73.42 110.892 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -70.58 161.16 78.66 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.584 0.707 . . . . 71.21 111.099 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.82 -171.37 0.47 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.652 2.234 . . . . 64.12 112.338 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -98.55 152.13 19.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 73.33 111.085 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 6.3 mp . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 74.42 110.929 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . 0.652 'ZN ' ' SG ' ' A' ' 77' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.843 0.354 . . . . 74.54 110.891 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -101.13 144.91 29.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 73.31 110.895 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -132.78 -178.4 4.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 71.44 110.883 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 14.3 p90 -126.56 172.37 10.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 64.25 110.844 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -104.31 68.24 0.87 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 75.34 110.897 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -149.85 151.97 34.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 75.21 110.882 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.1 mt -106.89 -169.56 1.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 74.24 110.896 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.0 tmm_? -148.03 117.07 6.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 74.51 110.898 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.486 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 10.9 t -49.35 118.41 2.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 65.02 110.929 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.3 mm100 -76.06 1.04 16.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 74.22 110.903 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.39 -20.91 9.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 74.12 110.9 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.486 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 8.1 m -109.77 -24.89 10.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 72.01 110.844 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 63.88 38.6 8.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 74.33 110.935 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -145.56 179.69 7.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 64.33 111.114 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -66.21 131.19 45.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 74.53 110.833 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -111.34 113.94 26.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.08 -0.509 . . . . 74.24 111.147 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -68.84 0.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 72.22 110.809 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.8 t -114.08 71.87 2.14 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.644 0.735 . . . . 71.52 110.821 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 146.02 58.45 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.648 2.232 . . . . 74.22 112.342 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -123.01 157.12 33.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 73.44 110.889 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.5 mt -103.01 97.9 7.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 73.34 110.908 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.49 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 4.4 mm? -48.83 163.98 0.31 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.621 0.724 . . . . 71.54 110.922 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.49 ' HD2' ' HB3' ' A' ' 70' ' ' LEU . 53.9 Cg_endo -69.69 -4.56 14.23 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.752 2.302 . . . . 73.5 112.318 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 81.7 m -104.73 10.58 34.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 71.12 110.892 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.4 mt 71.89 37.25 1.06 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.193 -0.458 . . . . 73.21 110.924 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -104.44 165.36 11.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 75.22 110.845 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.7 m -118.35 118.26 31.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 74.21 111.175 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.6 mp -130.4 172.32 12.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 72.44 110.923 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 26.6 p -101.85 176.49 5.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 71.55 110.882 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 96.6 p -63.75 -55.95 19.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 75.32 110.852 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -51.8 -29.65 26.85 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.792 -0.718 . . . . 61.54 112.518 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.3 m -74.08 -32.61 63.34 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.883 0.373 . . . . 74.13 110.909 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -68.33 -43.52 77.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 74.23 110.921 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -77.47 -47.89 18.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 72.53 110.876 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.82 -52.96 46.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 73.21 111.115 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.578 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.8 OUTLIER -86.2 14.62 6.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 72.32 110.882 -179.817 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 84' ' ' SER . . . 37.84 48.97 1.95 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.79 -0.719 . . . . 74.04 112.475 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 10.1 mtm 65.59 37.51 5.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.814 0.34 . . . . 74.52 110.923 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.578 ' HB2' ' O ' ' A' ' 84' ' ' SER . 0.1 OUTLIER -67.92 -164.39 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 74.24 110.882 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -144.1 74.23 16.06 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.594 0.711 . . . . 52.14 110.933 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -39.89 6.02 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.649 2.233 . . . . 72.2 112.347 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 22.2 mm -63.29 -15.32 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 73.03 111.145 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . 0.884 ' SG ' 'ZN ' ' A' ' 202' ' ' ' ZN' . 0.0 OUTLIER -72.24 -6.16 41.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 75.11 110.913 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -57.8 -35.7 71.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 75.44 110.868 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -139.03 149.87 62.98 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.643 0.735 . . . . 72.13 111.075 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 61.19 1.72 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.706 2.27 . . . . 65.42 112.341 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -68.45 160.35 76.56 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.574 0.702 . . . . 75.44 110.845 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 121.81 8.49 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.678 2.252 . . . . 74.21 112.356 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.05 -176.78 3.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 75.41 110.932 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -179.76 -150.57 9.22 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.77 -0.729 . . . . 70.54 112.533 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -104.73 18.36 22.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.821 0.343 . . . . 70.3 111.121 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -51.64 103.32 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 73.42 110.869 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.98 159.65 81.88 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.583 0.706 . . . . 71.21 111.106 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.76 -175.02 1.02 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.641 2.228 . . . . 64.12 112.367 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -96.82 151.94 19.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 73.33 111.099 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 9.4 mp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 74.42 110.894 -179.998 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . 0.884 'ZN ' ' SG ' ' A' ' 91' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 . . . . . 0 CA--C 1.527 0.062 0 CA-C-O 120.816 0.341 . . . . 74.54 110.867 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -123.39 110.1 14.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.157 -0.474 . . . . 73.31 110.885 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -77.92 -33.02 51.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 71.44 110.862 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -166.29 111.06 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 64.25 110.885 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -107.19 66.44 0.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 75.34 110.902 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -128.76 123.92 34.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 75.21 110.831 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.1 mt -85.21 -172.42 4.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.066 -0.515 . . . . 74.24 110.937 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -153.24 116.6 4.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 74.51 110.815 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.517 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 9.3 t -49.7 119.78 3.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 65.02 110.85 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -76.83 1.63 16.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.171 -0.468 . . . . 74.22 110.857 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.17 -20.39 8.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 74.12 110.87 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.517 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 7.4 m -110.18 -24.27 10.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 72.01 110.84 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 63.4 37.68 10.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.173 -0.467 . . . . 74.33 110.842 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -143.49 178.73 7.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 64.33 111.098 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -64.42 132.04 48.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 74.53 110.829 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -107.26 108.51 19.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 74.24 111.136 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.8 mtmm -64.77 -65.62 0.65 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 72.22 110.884 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.4 m -118.08 70.51 7.94 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.567 0.699 . . . . 71.52 110.853 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.68 159.49 53.26 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.651 2.234 . . . . 74.22 112.432 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.2 mtpt -133.4 154.22 50.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 73.44 110.925 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 29.0 mt -99.08 91.42 5.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 73.34 110.95 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.439 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 20.1 mt -48.72 161.82 0.39 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.589 0.709 . . . . 71.54 110.91 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.439 ' HD2' ' HB3' ' A' ' 70' ' ' LEU . 52.7 Cg_endo -69.87 -6.57 18.97 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.669 2.246 . . . . 73.5 112.285 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 89.8 m -102.17 12.74 36.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 71.12 110.872 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.2 mt 70.17 34.48 2.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 73.21 110.915 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -102.98 164.73 11.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 75.22 110.853 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.5 m -123.9 105.58 9.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 74.21 111.153 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.9 mp -117.31 171.76 7.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 72.44 110.927 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 30.5 p -99.53 160.76 14.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 71.55 110.849 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.32 -54.87 18.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 75.32 110.852 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.13 -29.35 36.11 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.742 -0.742 . . . . 61.54 112.47 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.1 m -74.8 -33.32 62.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.846 0.355 . . . . 74.13 110.865 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -66.63 -43.31 85.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 74.23 110.865 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -78.49 -47.26 17.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 72.53 110.853 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.05 -53.65 35.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 73.21 111.048 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.514 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.1 OUTLIER -84.19 13.03 5.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 72.32 110.84 -179.762 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 39.74 46.73 3.03 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.762 -0.733 . . . . 74.04 112.432 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 15.4 mtm 66.78 36.82 4.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.745 0.307 . . . . 74.52 110.877 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.514 ' HB2' ' O ' ' A' ' 84' ' ' SER . 0.4 OUTLIER -64.27 -166.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 74.24 110.886 -179.922 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.49 70.88 21.22 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.65 0.738 . . . . 52.14 110.833 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -43.09 2.83 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.698 2.265 . . . . 72.2 112.358 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 23.6 mm -61.83 -26.81 40.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 73.03 111.14 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . 0.847 ' SG ' 'ZN ' ' A' ' 202' ' ' ' ZN' . 0.0 OUTLIER -53.35 -22.78 7.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 75.11 110.916 179.888 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -97.88 -25.01 15.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 75.44 110.938 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -71.42 157.68 89.5 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.594 0.711 . . . . 72.13 111.088 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.68 -6.91 19.7 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.673 2.248 . . . . 65.42 112.409 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 61.1 t-105 -53.26 109.77 1.66 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.549 0.69 . . . . 75.44 110.861 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 137.68 36.05 Favored 'Trans proline' 0 C--O 1.233 0.27 0 C-N-CA 122.669 2.246 . . . . 74.21 112.339 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.6 mp -61.56 169.37 2.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 75.41 110.933 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 108.49 -34.75 5.39 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.767 -0.73 . . . . 70.54 112.498 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -104.32 107.47 18.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.732 0.301 . . . . 70.3 111.196 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -169.91 100.72 0.3 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 73.42 110.872 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.36 157.02 77.47 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.612 0.72 . . . . 71.21 111.152 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -178.06 2.15 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.676 2.25 . . . . 64.12 112.35 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -94.61 107.14 19.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 73.33 111.15 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.423 ' N ' ' CD1' ' A' ' 104' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.259 -0.428 . . . . 74.42 110.978 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . 0.847 'ZN ' ' SG ' ' A' ' 91' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.808 0.337 . . . . 74.54 110.945 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -125.64 -179.21 4.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 73.31 110.862 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -63.95 -32.86 74.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 71.44 110.892 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -172.82 149.52 1.98 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 64.25 110.859 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -97.5 110.02 22.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 75.34 110.948 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -142.37 171.04 14.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 75.21 110.839 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 41.9 mt -100.36 162.25 13.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.078 -0.51 . . . . 74.24 110.942 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -140.09 115.8 10.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 74.51 110.876 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.505 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 9.8 t -49.64 119.68 3.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 65.02 110.88 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -76.29 -0.75 23.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 74.22 110.945 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.57 -21.95 10.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 74.12 110.888 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.505 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 11.0 m -108.35 -24.75 11.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 72.01 110.884 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 63.34 37.03 11.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 74.33 110.928 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -142.23 177.61 8.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 64.33 111.125 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -63.86 131.57 48.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 74.53 110.931 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -107.45 110.18 22.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 74.24 111.111 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 15.8 mtmm -63.05 -64.97 0.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 72.22 110.892 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.6 t -121.17 72.27 24.69 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.547 0.689 . . . . 71.52 110.912 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 152.76 69.06 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.594 2.196 . . . . 74.22 112.36 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp -134.22 156.35 48.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 73.44 110.921 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 49.6 mt -89.95 109.57 20.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 73.34 110.932 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.5 mp -50.47 163.96 0.43 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.589 0.709 . . . . 71.54 110.883 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 -9.35 25.87 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.715 2.277 . . . . 73.5 112.276 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 1.4 m -97.33 -82.12 0.42 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 71.12 110.907 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -178.87 34.25 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 73.21 110.937 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.419 ' CG ' ' HB ' ' A' ' 90' ' ' ILE . 1.6 m-70 -120.53 164.87 15.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 75.22 110.867 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 27.1 m -114.78 131.24 56.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 74.21 111.119 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.0 mp -129.8 172.54 11.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 72.44 110.954 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 27.9 p -97.8 170.74 8.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 71.55 110.914 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 92.9 p -57.28 -56.56 20.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 75.32 110.898 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -52.54 -29.37 31.61 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.725 -0.75 . . . . 61.54 112.471 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.2 m -74.34 -34.58 63.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.889 0.376 . . . . 74.13 110.882 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -67.42 -42.34 83.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 74.23 110.937 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -78.34 -51.41 10.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 72.53 110.844 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.29 -53.47 52.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 73.21 111.132 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.549 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.8 OUTLIER -85.64 13.08 7.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 72.32 110.784 -179.74 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 37.72 50.24 1.93 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.698 -0.763 . . . . 74.04 112.55 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 63.35 37.65 10.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.712 0.291 . . . . 74.52 110.808 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.549 ' HB2' ' O ' ' A' ' 84' ' ' SER . 1.0 OUTLIER -64.88 -164.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.312 -0.404 . . . . 74.24 110.906 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -146.86 71.09 12.41 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.674 0.75 . . . . 52.14 110.905 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -44.44 2.13 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.702 2.268 . . . . 72.2 112.337 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.419 ' HB ' ' CG ' ' A' ' 74' ' ' HIS . 25.9 mm -59.05 -20.9 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 73.03 111.087 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.43 -19.62 24.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 75.11 110.896 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 24.0 mm100 -81.41 -38.05 27.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 75.44 110.884 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.401 ' HA ' ' HD2' ' A' ' 94' ' ' PRO . . . -101.11 107.12 48.67 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.645 0.736 . . . . 72.13 111.072 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 93' ' ' ALA . 54.1 Cg_endo -69.69 66.34 1.73 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.691 2.261 . . . . 65.42 112.384 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 3.2 p-90 -68.93 156.05 92.18 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.511 0.672 . . . . 75.44 110.972 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 116.42 4.55 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.702 2.268 . . . . 74.21 112.358 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.0 mp -80.04 -180.0 7.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 75.41 110.868 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 158.92 -85.8 0.12 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.71 -0.757 . . . . 70.54 112.479 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -103.63 100.16 9.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.87 0.366 . . . . 70.3 111.113 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -116.09 103.87 11.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 73.42 110.915 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.79 157.49 61.45 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.596 0.712 . . . . 71.21 111.175 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 -176.88 1.61 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.736 2.291 . . . . 64.12 112.308 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -98.61 152.18 19.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 73.33 111.167 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.4 mm? . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 74.42 110.904 -179.9 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.796 0.331 . . . . 74.54 110.928 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -130.77 121.77 26.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 73.31 110.9 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -58.86 -176.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 71.44 110.868 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 29.1 p90 -52.35 159.44 0.98 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 64.25 110.825 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.93 66.27 1.04 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 75.34 110.901 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -146.57 138.99 25.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.186 -0.461 . . . . 75.21 110.85 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.1 mt -113.3 -170.46 1.69 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 74.24 110.869 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.1 tmm_? -139.46 119.04 13.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 74.51 110.941 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.513 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 9.9 t -52.79 120.77 6.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 65.02 110.866 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -76.51 0.66 19.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 74.22 110.877 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.27 -21.78 8.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 74.12 110.98 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.513 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 13.7 m -109.34 -19.46 13.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 72.01 110.907 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 57.5 38.79 28.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 74.33 110.88 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -144.89 178.87 7.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 64.33 111.056 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -64.54 131.44 47.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 74.53 110.849 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -111.21 113.59 26.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 74.24 111.11 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt -62.68 -70.85 0.18 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.302 -0.408 . . . . 72.22 110.857 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.3 m -115.15 71.08 2.82 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-O 121.627 0.727 . . . . 71.52 110.811 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.84 153.23 68.79 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.645 2.23 . . . . 74.22 112.325 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.1 mmpt? -134.27 155.86 49.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 73.44 110.875 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.9 mt -97.13 110.02 22.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 73.34 110.858 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.428 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 3.1 mm? -50.48 160.6 0.72 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.617 0.722 . . . . 71.54 110.937 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.428 ' HD2' ' HB3' ' A' ' 70' ' ' LEU . 52.8 Cg_endo -69.8 -5.46 16.29 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.656 2.237 . . . . 73.5 112.331 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 23.0 m -95.22 -79.25 0.43 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 71.12 110.892 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.9 pp 177.54 36.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 73.21 110.895 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -126.39 166.38 17.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 75.22 110.864 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 41.7 m -121.0 137.02 54.85 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.211 -0.449 . . . . 74.21 111.187 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.3 mp -134.58 172.84 12.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 72.44 110.804 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 28.5 p -98.41 167.67 10.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 71.55 110.936 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 91.4 p -54.72 -55.95 24.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 75.32 110.869 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.05 -28.9 34.31 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.702 -0.761 . . . . 61.54 112.523 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.2 m -74.21 -33.37 63.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.86 0.362 . . . . 74.13 110.887 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -67.75 -43.37 80.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 74.23 110.902 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -77.56 -49.74 14.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 72.53 110.904 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.8 -53.37 51.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 73.21 111.128 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.542 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.1 OUTLIER -85.35 13.27 6.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 72.32 110.843 -179.781 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 84' ' ' SER . . . 38.49 48.07 2.25 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.736 -0.745 . . . . 74.04 112.461 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 65.98 37.13 5.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.748 0.308 . . . . 74.52 110.86 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.542 ' HB2' ' O ' ' A' ' 84' ' ' SER . 0.2 OUTLIER -65.77 -165.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 74.24 110.906 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -147.98 72.79 11.3 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.638 0.732 . . . . 52.14 110.909 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 -41.58 4.21 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.663 2.242 . . . . 72.2 112.393 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.8 mm -68.35 -15.04 19.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 73.03 111.076 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.98 -22.32 14.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.43 . . . . 75.11 110.875 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -66.52 -19.86 65.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 75.44 110.865 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.405 ' HA ' ' HD2' ' A' ' 94' ' ' PRO . . . -106.45 102.39 40.75 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.523 0.678 . . . . 72.13 111.09 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 93' ' ' ALA . 54.2 Cg_endo -69.73 86.67 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.73 2.287 . . . . 65.42 112.377 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.417 ' HB2' ' HD2' ' A' ' 96' ' ' PRO . 2.3 p-90 -126.57 156.68 72.8 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.561 0.696 . . . . 75.44 110.959 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.417 ' HD2' ' HB2' ' A' ' 95' ' ' TRP . 53.3 Cg_endo -69.82 158.92 55.24 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.669 2.246 . . . . 74.21 112.285 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.9 mt -56.87 -179.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 75.41 110.919 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -137.57 -167.63 11.11 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.695 -0.764 . . . . 70.54 112.534 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -124.08 -11.34 7.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.805 0.336 . . . . 70.3 111.126 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -64.67 91.75 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 73.42 110.903 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.86 160.75 7.69 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.602 0.715 . . . . 71.21 111.124 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 162.87 40.42 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.637 2.225 . . . . 64.12 112.384 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -88.65 151.83 22.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.293 -0.412 . . . . 73.33 111.038 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 9.4 mp . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 74.42 110.833 -179.968 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.793 0.33 . . . . 74.54 110.965 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -116.61 147.94 41.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 73.31 110.936 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -124.24 -172.78 2.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.115 -0.493 . . . . 71.44 110.846 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -110.25 166.62 10.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.481 . . . . 64.25 110.881 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -96.36 66.06 2.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 75.34 110.968 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -158.9 156.23 29.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.439 . . . . 75.21 110.84 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.92 -168.98 1.54 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 74.24 110.898 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -143.91 116.84 8.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 74.51 110.873 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.529 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 8.5 t -49.97 119.92 3.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.499 . . . . 65.02 110.926 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -76.2 1.59 15.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.107 -0.497 . . . . 74.22 110.926 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.407 ' HG3' ' N ' ' A' ' 60' ' ' CYS . 0.0 OUTLIER -118.21 -23.34 7.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 74.12 110.912 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.529 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 10.7 m -106.94 -21.43 13.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 72.01 110.915 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 59.65 37.07 22.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 74.33 110.88 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -142.69 179.73 6.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.281 -0.418 . . . . 64.33 111.088 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -67.9 126.53 29.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 74.53 110.894 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.48 113.15 26.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 74.24 111.118 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.5 mtmp? -63.55 -67.88 0.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 72.22 110.897 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.3 m -115.29 71.78 3.21 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.609 0.719 . . . . 71.52 110.899 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 148.78 65.89 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.586 2.191 . . . . 74.22 112.394 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -128.99 156.96 42.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 73.44 110.869 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.2 mt -91.33 101.77 14.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 73.34 110.914 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -49.36 164.68 0.31 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.631 0.729 . . . . 71.54 110.865 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 -7.88 22.16 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.732 2.288 . . . . 73.5 112.357 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.411 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 68.6 m -108.05 16.64 23.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 71.12 110.86 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.3 mt 71.42 22.0 4.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 73.21 110.95 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.411 ' CE1' ' HB3' ' A' ' 72' ' ' CYS . 3.8 m-70 -92.56 164.77 13.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 75.22 110.935 179.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.3 m -113.14 127.88 56.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.272 -0.422 . . . . 74.21 111.105 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.6 mp -138.7 171.99 13.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 72.44 110.903 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 30.2 p -100.98 160.02 14.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 71.55 110.865 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.2 -54.3 21.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 75.32 110.855 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.15 -30.07 38.06 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.722 -0.751 . . . . 61.54 112.44 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.1 m -74.17 -32.61 63.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.895 0.379 . . . . 74.13 110.871 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -67.8 -43.35 79.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 74.23 110.922 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -78.07 -44.93 24.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 72.53 110.898 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.36 -53.58 23.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 73.21 111.115 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.547 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.7 OUTLIER -83.88 14.5 3.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.23 -0.441 . . . . 72.32 110.826 -179.768 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 39.62 45.62 2.72 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.8 -0.714 . . . . 74.04 112.465 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 4.2 mtt 67.82 37.0 3.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.706 0.289 . . . . 74.52 110.916 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.547 ' HB2' ' O ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -67.42 -165.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 74.24 110.899 -179.852 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -148.62 70.65 10.54 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.635 0.731 . . . . 52.14 110.894 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -40.72 4.96 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.666 2.244 . . . . 72.2 112.323 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 31.4 mm -51.03 -27.23 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 73.03 111.165 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . 1.063 ' SG ' 'ZN ' ' A' ' 202' ' ' ' ZN' . 7.6 m -51.06 -25.04 4.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 75.11 110.891 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.79 -39.05 93.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 75.44 110.918 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -117.13 117.06 37.22 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.587 0.708 . . . . 72.13 111.042 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 65.41 1.79 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.738 2.292 . . . . 65.42 112.306 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.413 ' HB2' ' HD2' ' A' ' 96' ' ' PRO . 1.5 p-90 -63.88 157.14 69.87 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.55 0.69 . . . . 75.44 110.923 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.413 ' HD2' ' HB2' ' A' ' 95' ' ' TRP . 53.1 Cg_endo -69.78 116.11 4.41 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.682 2.254 . . . . 74.21 112.327 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.9 mp -64.29 161.88 15.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 75.41 110.911 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -163.88 176.98 39.85 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.754 -0.736 . . . . 70.54 112.475 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -98.55 19.57 14.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.807 0.337 . . . . 70.3 111.09 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -58.14 97.78 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 73.42 110.903 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.77 160.92 13.01 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.623 0.725 . . . . 71.21 111.106 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 160.6 49.11 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.694 2.263 . . . . 64.12 112.402 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.72 151.74 37.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.285 -0.416 . . . . 73.33 111.076 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 74.42 110.983 -179.96 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . 1.063 'ZN ' ' SG ' ' A' ' 91' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 . . . . . 0 CA--C 1.526 0.054 0 CA-C-O 120.784 0.326 . . . . 74.54 110.867 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -107.92 159.15 16.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 73.31 110.88 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -137.24 134.48 36.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.218 -0.446 . . . . 71.44 110.876 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -176.83 133.2 0.2 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 64.25 110.938 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.3 pm0 -105.03 67.65 0.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 75.34 110.923 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -125.15 153.26 43.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.427 . . . . 75.21 110.914 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.5 mt -112.9 -167.89 1.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 74.24 110.98 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -149.66 116.23 5.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 74.51 110.844 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.509 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 9.1 t -49.15 123.56 7.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 65.02 110.854 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -78.47 -2.74 39.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 74.22 110.928 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.2 -20.12 11.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 74.12 110.958 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.509 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 17.5 m -111.6 -16.11 13.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 72.01 110.803 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 54.2 27.32 7.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 74.33 110.92 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -130.32 172.63 11.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 64.33 111.167 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -59.43 137.3 58.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.28 -0.418 . . . . 74.53 110.898 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -110.07 108.46 18.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 74.24 111.125 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt -64.76 -55.31 20.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 72.22 110.851 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.7 m -130.88 71.04 82.6 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.633 0.73 . . . . 71.52 110.864 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 161.54 45.55 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.711 2.274 . . . . 74.22 112.341 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -136.16 156.02 49.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.425 . . . . 73.44 110.899 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -96.19 93.48 6.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 73.34 110.95 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.443 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 20.0 mt -50.57 162.14 0.57 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.619 0.723 . . . . 71.54 110.914 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.443 ' HD2' ' HB3' ' A' ' 70' ' ' LEU . 53.4 Cg_endo -69.78 -7.04 20.05 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.672 2.248 . . . . 73.5 112.321 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 61.4 m -103.86 16.13 27.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.252 -0.431 . . . . 71.12 110.894 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.6 mt 68.81 25.73 6.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 73.21 110.979 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -95.13 164.4 12.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 75.22 110.831 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.9 m -123.49 106.77 10.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 74.21 111.165 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.4 mp -116.99 171.47 7.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 72.44 110.941 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 28.9 p -98.28 162.67 13.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 71.55 110.941 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.24 -57.63 7.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 75.32 110.9 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -50.71 -32.67 25.55 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.766 -0.731 . . . . 61.54 112.465 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.2 m -71.72 -33.07 68.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.927 0.394 . . . . 74.13 110.918 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -68.09 -42.66 80.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 74.23 110.913 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -80.94 -52.14 7.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 72.53 110.938 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.18 -55.76 19.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.491 . . . . 73.21 111.098 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.501 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.2 OUTLIER -86.4 18.36 3.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 72.32 110.917 -179.783 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.46 ' O ' ' CG ' ' A' ' 86' ' ' MET . . . 33.86 62.7 0.43 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.738 -0.744 . . . . 74.04 112.472 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.46 ' CG ' ' O ' ' A' ' 85' ' ' GLY . 5.4 ptp 46.19 39.39 6.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.772 0.32 . . . . 74.52 110.836 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.501 ' HB2' ' O ' ' A' ' 84' ' ' SER . 1.7 mp0 -60.58 -167.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.247 -0.433 . . . . 74.24 110.888 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -137.62 69.79 52.54 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.624 0.726 . . . . 52.14 110.858 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -40.82 4.96 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.772 2.315 . . . . 72.2 112.328 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 14.5 mm -66.35 -15.04 18.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 73.03 111.133 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . 0.717 ' SG ' 'ZN ' ' A' ' 202' ' ' ' ZN' . 0.1 OUTLIER -75.26 -4.58 39.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 75.11 110.94 179.893 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -58.29 -33.84 69.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.19 -0.459 . . . . 75.44 110.932 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -139.11 155.3 72.71 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.567 0.699 . . . . 72.13 111.139 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.66 63.06 1.73 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.653 2.236 . . . . 65.42 112.36 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -71.83 161.08 80.61 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.589 0.709 . . . . 75.44 110.896 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 120.8 7.52 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.631 2.221 . . . . 74.21 112.305 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -107.05 -175.75 2.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 75.41 110.889 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.84 73.64 1.27 Allowed Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.707 -0.759 . . . . 70.54 112.444 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -173.41 57.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.755 0.312 . . . . 70.3 111.139 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -66.11 92.15 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 73.42 110.889 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.55 70.76 20.88 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.632 0.729 . . . . 71.21 111.149 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 155.63 65.32 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.72 2.28 . . . . 64.12 112.342 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.15 97.81 2.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 73.33 111.106 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 5.4 mp . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 74.42 110.929 -179.955 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . 0.717 'ZN ' ' SG ' ' A' ' 91' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.838 0.351 . . . . 74.54 110.92 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -105.46 174.55 5.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 73.31 110.899 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.42 153.08 5.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.164 -0.471 . . . . 71.44 110.911 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -105.39 117.2 33.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 64.25 110.866 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 44.2 tp60 -81.5 103.72 11.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 75.34 110.9 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -134.5 171.39 14.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 75.21 110.911 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.46 ' CD1' ' HG3' ' A' ' 67' ' ' PRO . 0.3 OUTLIER -103.08 -177.97 3.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.488 . . . . 74.24 110.897 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? -150.67 127.24 10.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.167 -0.469 . . . . 74.51 110.883 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.527 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 9.8 t -53.48 122.66 10.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 65.02 110.914 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -78.03 1.72 20.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 74.22 110.923 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.11 -22.51 7.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 74.12 110.894 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.527 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 7.0 m -106.87 -25.12 11.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 72.01 110.9 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 64.58 31.65 12.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 74.33 110.919 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -137.18 178.2 7.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 64.33 111.085 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -61.86 133.49 55.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 74.53 110.903 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -108.04 115.48 30.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 74.24 111.105 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 31.3 mtmm -73.0 -73.9 0.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 72.22 110.914 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.3 t -115.28 70.93 2.97 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.612 0.72 . . . . 71.52 110.827 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.46 ' HG3' ' CD1' ' A' ' 55' ' ' LEU . 53.2 Cg_endo -69.8 165.22 31.76 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.677 2.251 . . . . 74.22 112.342 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.4 mttt -139.61 155.81 47.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 73.44 110.909 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.8 mt -99.31 91.09 4.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.237 -0.438 . . . . 73.34 110.924 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.428 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 13.8 mt -48.56 161.46 0.4 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.64 0.733 . . . . 71.54 110.885 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.428 ' HD2' ' HB3' ' A' ' 70' ' ' LEU . 53.1 Cg_endo -69.86 -4.92 15.06 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.659 2.239 . . . . 73.5 112.339 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -102.44 17.41 23.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 71.12 110.838 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.3 mp 65.72 32.91 8.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 73.21 110.919 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -103.77 164.56 11.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 75.22 110.854 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 90.5 m -128.33 104.15 7.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 74.21 111.195 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.2 mp -116.48 171.57 7.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 72.44 110.904 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.697 ' SG ' 'ZN ' ' A' ' 201' ' ' ' ZN' . 31.5 p -94.21 166.86 11.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 71.55 110.815 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 82.3 p -52.44 -57.85 8.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 75.32 110.831 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.48 -27.09 32.72 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.801 -0.714 . . . . 61.54 112.452 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -74.52 -39.17 62.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.927 0.394 . . . . 74.13 110.877 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -62.91 -41.69 99.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 74.23 110.89 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -78.81 -52.92 7.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 72.53 110.859 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.67 -54.59 37.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 73.21 111.108 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 87' ' ' GLN . 0.9 OUTLIER -81.69 11.45 4.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 72.32 110.849 -179.84 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 39.54 46.23 2.76 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.721 -0.752 . . . . 74.04 112.525 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER 64.45 34.46 10.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.697 0.284 . . . . 74.52 110.884 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -61.99 -166.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 74.24 110.859 -179.908 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -136.49 69.79 60.55 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.637 0.732 . . . . 52.14 110.847 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.69 -41.94 3.92 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.702 2.268 . . . . 72.2 112.347 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 18.2 mm -62.45 -16.42 16.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 73.03 111.196 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . 0.688 ' SG ' 'ZN ' ' A' ' 202' ' ' ' ZN' . 0.0 OUTLIER -70.65 -8.93 55.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 75.11 110.846 179.924 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -62.63 -39.65 94.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 75.44 110.947 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -119.73 141.22 30.74 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.56 0.695 . . . . 72.13 111.132 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 62.15 1.72 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.672 2.248 . . . . 65.42 112.355 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.48 159.63 22.92 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.525 0.679 . . . . 75.44 110.981 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 118.21 5.55 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.647 2.231 . . . . 74.21 112.353 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.8 mt -71.85 161.5 30.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 75.41 110.931 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 96.72 149.25 25.32 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.694 -0.765 . . . . 70.54 112.507 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 64.48 99.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.872 0.368 . . . . 70.3 111.098 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -160.29 111.69 1.93 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 73.42 110.856 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.42 156.17 63.91 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.544 0.688 . . . . 71.21 111.154 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -169.63 0.34 Allowed 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.619 2.213 . . . . 64.12 112.384 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -87.23 152.4 22.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 73.33 111.112 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.9 mp . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 74.42 110.96 -179.959 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . 0.697 'ZN ' ' SG ' ' A' ' 77' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . 0.688 'ZN ' ' SG ' ' A' ' 91' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.881 0.372 . . . . 74.54 110.879 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -91.22 141.51 28.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 73.31 110.873 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.0 mp0 -72.9 171.51 12.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 71.44 110.838 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 45.7 p90 -102.41 158.64 16.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 64.25 110.873 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 30.7 tp60 -52.48 115.25 1.68 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.485 . . . . 75.34 110.892 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -149.88 136.67 19.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.487 . . . . 75.21 110.871 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 46.0 mt -82.47 -178.98 7.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 74.24 110.936 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.1 tmm_? -144.0 116.57 8.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 74.51 110.911 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.525 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 9.2 t -49.48 123.82 8.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 65.02 110.875 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -78.44 -4.18 47.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 74.22 110.847 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.62 -19.81 11.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 74.12 110.845 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.525 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 20.8 m -111.7 -14.83 13.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 72.01 110.895 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 51.38 30.13 5.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 74.33 110.896 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -131.47 169.6 15.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 64.33 111.097 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -57.95 123.34 15.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 74.53 110.885 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -94.65 108.71 20.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 74.24 111.047 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.48 -60.36 3.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 72.22 110.886 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.8 m -129.04 70.38 81.57 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.612 0.72 . . . . 71.52 110.909 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 153.49 68.77 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.622 2.215 . . . . 74.22 112.337 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt -133.29 155.95 48.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 73.44 110.867 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 71.5 mt -83.2 157.05 22.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 73.34 110.922 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.71 162.7 19.56 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.632 0.729 . . . . 71.54 110.898 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -8.23 23.08 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.687 2.258 . . . . 73.5 112.33 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 64.1 m -102.2 -79.5 0.52 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 71.12 110.908 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.406 ' HB3' HD23 ' A' ' 97' ' ' LEU . 2.1 pp 175.85 40.66 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 73.21 110.881 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.426 ' CG ' ' HB ' ' A' ' 90' ' ' ILE . 2.6 m-70 -122.32 164.06 18.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.478 . . . . 75.22 110.87 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 97.0 m -128.64 112.26 14.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 74.21 111.128 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.8 mp -109.36 171.64 7.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 72.44 110.885 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 28.9 p -95.94 163.51 13.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 71.55 110.937 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.58 -57.71 5.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 75.32 110.844 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -52.71 -31.1 37.17 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.702 -0.761 . . . . 61.54 112.471 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.2 m -73.94 -33.42 63.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.773 0.321 . . . . 74.13 110.814 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -67.35 -41.73 84.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 74.23 110.908 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -80.92 -51.6 8.38 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.211 -0.45 . . . . 72.53 110.883 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.29 -55.95 17.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 73.21 111.08 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 85' ' ' GLY . 0.9 OUTLIER -85.06 15.02 4.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 72.32 110.808 -179.747 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.447 ' O ' ' CG ' ' A' ' 86' ' ' MET . . . 35.19 64.19 0.49 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.701 -0.762 . . . . 74.04 112.505 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.447 ' CG ' ' O ' ' A' ' 85' ' ' GLY . 14.7 ptp 45.79 38.39 4.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.702 0.287 . . . . 74.52 110.913 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 84' ' ' SER . 1.0 OUTLIER -60.47 -169.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 74.24 110.888 -179.893 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -137.76 67.83 50.79 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.583 0.706 . . . . 52.14 110.842 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -43.78 2.45 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.656 2.238 . . . . 72.2 112.322 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.426 ' HB ' ' CG ' ' A' ' 74' ' ' HIS . 16.9 mm -69.09 -15.79 20.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.43 . . . . 73.03 111.049 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -53.96 -22.16 9.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 75.11 110.909 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 37.7 mm-40 -63.95 -15.07 58.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.064 -0.516 . . . . 75.44 110.906 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -114.74 92.03 27.99 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.561 0.696 . . . . 72.13 111.155 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 89.83 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.695 2.264 . . . . 65.42 112.364 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.441 ' HB2' ' HD2' ' A' ' 96' ' ' PRO . 1.7 p-90 -129.85 156.8 78.42 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.489 0.661 . . . . 75.44 110.963 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.441 ' HD2' ' HB2' ' A' ' 95' ' ' TRP . 54.5 Cg_endo -69.71 167.39 24.52 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.629 2.219 . . . . 74.21 112.384 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.406 HD23 ' HB3' ' A' ' 73' ' ' LEU . 1.8 pt? -139.18 175.88 9.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 75.41 110.929 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -154.81 -79.72 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.779 -0.724 . . . . 70.54 112.507 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -98.8 107.46 19.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.853 0.358 . . . . 70.3 111.113 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -118.0 110.47 17.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 73.42 110.881 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.42 153.94 63.09 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.531 0.682 . . . . 71.21 111.159 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -169.79 0.35 Allowed 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.677 2.251 . . . . 64.12 112.374 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -113.53 92.82 4.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 73.33 111.136 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 74.42 110.877 -179.982 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.815 0.34 . . . . 74.54 110.872 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -111.68 162.04 15.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 73.31 110.876 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -59.81 -48.96 79.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 71.44 110.859 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -170.55 127.01 0.77 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 64.25 110.911 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -65.74 105.71 1.32 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 75.34 110.874 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -151.57 153.6 34.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 75.21 110.879 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.1 mt -102.92 -168.83 1.57 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 74.24 110.871 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -146.39 116.07 7.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 74.51 110.847 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.509 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 9.6 t -48.96 120.55 3.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 65.02 110.89 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -76.98 0.74 20.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 74.22 110.889 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.5 -20.72 8.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.425 . . . . 74.12 110.913 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.509 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 11.5 m -110.41 -19.61 12.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 72.01 110.927 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 57.65 37.64 27.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.096 -0.502 . . . . 74.33 110.942 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -142.45 -179.99 6.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 64.33 111.059 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -66.62 130.15 42.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.271 -0.422 . . . . 74.53 110.913 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -107.67 111.3 23.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 74.24 111.113 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt -62.81 -67.77 0.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 72.22 110.832 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.3 m -118.03 71.74 8.52 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.637 0.732 . . . . 71.52 110.932 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 149.15 66.24 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.728 2.286 . . . . 74.22 112.342 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 25.4 mmtm -123.97 156.59 36.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 73.44 110.822 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.6 mt -98.87 93.02 5.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 73.34 110.94 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.481 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 19.4 mt -47.58 163.45 0.27 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.643 0.735 . . . . 71.54 110.904 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.481 ' HD2' ' HB3' ' A' ' 70' ' ' LEU . 54.1 Cg_endo -69.75 -5.65 16.7 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.74 2.293 . . . . 73.5 112.337 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 76.6 m -104.63 14.82 29.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 71.12 110.944 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.4 mt 68.22 32.87 4.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 73.21 110.892 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -99.72 165.49 11.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 75.22 110.861 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 51.1 m -122.57 104.82 9.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 74.21 111.177 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.7 mp -117.8 171.74 7.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 72.44 110.853 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 28.9 p -98.92 164.61 12.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 71.55 110.899 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 78.5 p -52.3 -56.85 12.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 75.32 110.862 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -52.09 -30.28 30.56 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.73 -0.748 . . . . 61.54 112.55 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.1 m -72.6 -33.54 66.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.87 0.366 . . . . 74.13 110.872 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -68.39 -42.76 78.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.1 -0.5 . . . . 74.23 110.894 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -78.67 -49.44 13.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 72.53 110.853 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.32 -54.33 30.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 73.21 111.138 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.536 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.8 OUTLIER -83.81 14.99 3.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 72.32 110.869 -179.861 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 37.97 47.64 1.9 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.731 -0.747 . . . . 74.04 112.523 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 17.5 mtt 65.34 35.35 7.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.742 0.306 . . . . 74.52 110.917 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.536 ' HB2' ' O ' ' A' ' 84' ' ' SER . 0.5 OUTLIER -61.12 -166.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 74.24 110.928 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -141.93 71.31 23.94 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.658 0.742 . . . . 52.14 110.865 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -42.53 3.27 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.685 2.256 . . . . 72.2 112.347 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 22.6 mm -62.31 -16.38 16.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 73.03 111.169 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . 0.758 ' SG ' 'ZN ' ' A' ' 202' ' ' ' ZN' . 0.0 OUTLIER -71.08 -8.03 50.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 75.11 110.908 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 48.4 mm-40 -72.48 -39.74 67.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 75.44 110.887 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -114.94 140.29 25.34 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.567 0.699 . . . . 72.13 111.098 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 57.96 1.54 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.618 2.212 . . . . 65.42 112.391 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -54.28 160.98 2.16 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.555 0.693 . . . . 75.44 110.946 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.68 114.19 3.61 Favored 'Trans proline' 0 C--O 1.233 0.247 0 C-N-CA 122.699 2.266 . . . . 74.21 112.37 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.57 146.02 52.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.317 -0.401 . . . . 75.41 110.884 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -167.59 -179.65 40.48 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.735 -0.745 . . . . 70.54 112.515 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -105.57 24.05 12.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.8 0.333 . . . . 70.3 111.149 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -50.78 103.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 73.42 110.962 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.74 160.07 81.37 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.597 0.713 . . . . 71.21 111.106 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -175.91 1.3 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.685 2.257 . . . . 64.12 112.351 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -94.96 151.83 18.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 73.33 111.107 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 5.4 mp . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 74.42 110.987 179.974 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . 0.758 'ZN ' ' SG ' ' A' ' 91' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.1 tmm_? . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.838 0.352 . . . . 71.11 110.869 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.546 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 8.4 t -49.73 121.71 5.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 65.02 110.879 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -77.29 1.44 18.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.472 . . . . 70.11 110.937 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.495 ' HB3' HD11 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -118.8 -23.6 6.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 74.12 110.909 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.546 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 9.6 m -106.04 -24.46 12.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 72.01 110.911 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 63.25 35.99 12.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 71.22 110.89 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -141.44 179.62 6.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 64.33 111.141 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -64.91 131.3 46.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 74.53 110.9 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.54 110.47 22.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 74.24 111.087 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 38.7 mtmt -63.17 -53.0 60.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 72.22 110.912 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.6 m -136.66 69.97 59.33 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.658 0.742 . . . . 71.52 110.897 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 153.68 68.78 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.692 2.261 . . . . 74.22 112.317 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.509 ' HG3' HD22 ' A' ' 81' ' ' LEU . 26.3 mmtt -138.98 156.56 47.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 73.44 110.924 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 32.5 mt -90.42 97.22 11.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 43.35 110.902 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.607 HD11 HD22 ' A' ' 76' ' ' LEU . 20.2 mt -47.87 161.38 0.36 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.602 0.715 . . . . 71.05 110.936 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.83 -6.96 19.88 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.689 2.259 . . . . 73.5 112.298 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.19 15.85 28.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 71.12 110.885 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.9 mt 67.63 43.72 1.8 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 73.21 110.936 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -120.49 163.99 17.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 75.22 110.886 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.7 m -117.02 114.07 23.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 74.21 111.173 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.776 HD23 ' HB3' ' A' ' 80' ' ' CYS . 4.2 mp -126.75 172.29 10.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 51.52 110.945 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 30.7 p -98.74 162.45 13.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 71.55 110.85 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.45 -56.33 11.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 53.44 110.869 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.25 -28.09 41.62 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.711 -0.757 . . . . 43.32 112.471 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.776 ' HB3' HD23 ' A' ' 76' ' ' LEU . 0.8 OUTLIER -71.78 -35.11 69.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.865 0.364 . . . . 74.13 110.866 -179.915 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.509 HD22 ' HG3' ' A' ' 68' ' ' LYS . 1.1 mp -70.02 -40.31 75.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 74.23 110.905 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -78.54 -47.51 17.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 72.53 110.922 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.26 -54.63 11.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 72.44 111.076 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.423 ' CB ' ' HB2' ' A' ' 87' ' ' GLN . 0.1 OUTLIER -83.58 13.52 4.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 72.32 110.838 -179.744 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 40.02 46.36 3.19 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.738 -0.744 . . . . 74.04 112.504 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 5.2 mtp 63.43 36.18 11.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.709 0.29 . . . . 53.03 110.851 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.423 ' HB2' ' CB ' ' A' ' 84' ' ' SER . 0.5 OUTLIER -61.78 -167.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 74.24 110.895 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -137.58 70.7 52.41 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.648 0.737 . . . . 52.14 110.921 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.625 ' HG2' HD11 ' A' ' 76' ' ' LEU . 53.7 Cg_endo -69.75 -40.66 5.07 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.622 2.215 . . . . 62.02 112.352 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.495 HD11 ' HB3' ' A' ' 59' ' ' GLN . 18.9 mm . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 63.44 111.14 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.9 tmm_? . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.934 0.397 . . . . 71.11 110.903 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.517 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 9.2 t -50.44 120.32 4.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 65.02 110.834 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -76.76 0.99 18.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 70.11 110.878 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.88 -20.93 8.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 74.12 110.841 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.517 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 14.9 m -110.65 -17.74 13.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 72.01 110.826 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 55.85 37.12 28.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 71.22 110.902 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -141.76 178.96 7.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 64.33 111.13 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -66.88 129.55 40.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 74.53 110.867 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -106.08 112.04 24.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 74.24 111.052 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.6 mtmm -64.24 -63.9 1.02 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 72.22 110.873 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.5 m -120.23 71.21 16.76 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.59 0.709 . . . . 71.52 110.856 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 150.67 68.63 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.695 2.263 . . . . 74.22 112.376 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.453 ' HB2' HD21 ' A' ' 81' ' ' LEU . 4.6 mtpt -126.17 156.36 40.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 73.44 110.931 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.403 HD23 ' O ' ' A' ' 74' ' ' HIS . 5.5 mt -97.29 94.64 7.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 43.35 110.96 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.419 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 19.9 mt -49.13 162.44 0.39 Allowed Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.599 0.714 . . . . 71.05 110.89 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.419 ' HD2' ' HB3' ' A' ' 70' ' ' LEU . 53.6 Cg_endo -69.79 -6.91 19.73 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.671 2.247 . . . . 73.5 112.307 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.45 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 69.6 m -103.73 14.62 30.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 71.12 110.86 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.1 mt 68.42 34.23 3.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 73.21 110.942 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.45 ' CE1' ' HB3' ' A' ' 72' ' ' CYS . 33.8 m170 -102.27 165.05 11.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 75.22 110.929 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 56.4 m -119.74 107.77 13.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.281 -0.418 . . . . 74.21 111.127 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.746 HD23 ' HB3' ' A' ' 80' ' ' CYS . 2.8 mp -120.35 171.58 8.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 51.52 110.927 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 30.0 p -99.7 162.43 13.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 71.55 110.862 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -51.67 -55.54 18.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 53.44 110.858 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -52.67 -29.16 32.13 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.766 -0.731 . . . . 43.32 112.522 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.746 ' HB3' HD23 ' A' ' 76' ' ' LEU . 1.1 m -73.82 -33.5 64.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.91 0.386 . . . . 74.13 110.896 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.475 HD13 ' HA ' ' A' ' 86' ' ' MET . 1.6 mm? -67.21 -43.44 82.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 74.23 110.896 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -78.49 -49.64 13.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 72.53 110.901 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.47 -54.34 34.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 72.44 111.154 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.522 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.8 OUTLIER -83.88 13.47 4.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 72.32 110.816 -179.806 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 39.1 46.87 2.51 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.762 -0.733 . . . . 74.04 112.534 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.475 ' HA ' HD13 ' A' ' 81' ' ' LEU . 1.6 mtt 66.31 35.8 5.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.69 0.281 . . . . 53.03 110.849 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.522 ' HB2' ' O ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -62.56 -166.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 74.24 110.916 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.34 71.95 21.73 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.651 0.738 . . . . 52.14 110.936 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.712 ' HG2' HD11 ' A' ' 76' ' ' LEU . 53.4 Cg_endo -69.81 -42.29 3.48 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.704 2.269 . . . . 62.02 112.305 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.1 mm . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 63.44 111.175 179.92 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.9 tmm_? . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.877 0.37 . . . . 71.11 110.88 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.527 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 9.6 t -50.81 120.35 4.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 65.02 110.903 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -76.89 1.21 18.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.138 -0.483 . . . . 70.11 110.921 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.486 ' HB3' HD11 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -117.74 -20.68 8.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.443 . . . . 74.12 110.938 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.527 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 8.1 m -110.11 -21.49 12.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 72.01 110.853 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 60.04 36.31 21.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 71.22 110.965 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -142.14 178.96 7.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 64.33 111.138 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -65.06 131.28 46.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.316 -0.402 . . . . 74.53 110.882 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -108.44 111.75 23.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 74.24 111.091 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -64.3 -66.32 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 72.22 110.964 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.3 m -117.54 70.47 6.58 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.616 0.722 . . . . 71.52 110.944 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 148.57 65.86 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.691 2.26 . . . . 74.22 112.349 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.548 ' HB2' HD21 ' A' ' 81' ' ' LEU . 33.6 mmtp -122.61 156.09 34.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 73.44 110.838 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 49.0 mt -99.87 92.6 5.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 43.35 110.909 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.408 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 20.1 mt -49.09 161.61 0.43 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.56 0.695 . . . . 71.05 110.916 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.408 ' HD2' ' HB3' ' A' ' 70' ' ' LEU . 53.7 Cg_endo -69.78 -6.81 19.49 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.725 2.283 . . . . 73.5 112.354 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.523 ' O ' HD12 ' A' ' 73' ' ' LEU . 98.9 m -101.7 13.43 34.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 71.12 110.846 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.523 HD12 ' O ' ' A' ' 72' ' ' CYS . 0.5 OUTLIER 69.6 32.28 3.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 73.21 110.939 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.445 ' CE1' ' HB3' ' A' ' 72' ' ' CYS . 32.4 m170 -100.84 164.53 11.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.198 -0.455 . . . . 75.22 110.844 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.1 m -122.49 105.46 10.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 74.21 111.185 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.714 HD23 ' HB3' ' A' ' 80' ' ' CYS . 2.8 mp -116.57 171.67 7.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 51.52 110.913 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 29.5 p -100.69 158.77 15.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 71.55 110.912 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.94 -54.3 16.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 53.44 110.844 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.27 -30.31 39.61 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.766 -0.731 . . . . 43.32 112.467 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.714 ' HB3' HD23 ' A' ' 76' ' ' LEU . 1.1 m -74.15 -32.9 63.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.897 0.379 . . . . 74.13 110.887 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.586 HD13 ' HA ' ' A' ' 86' ' ' MET . 3.4 mm? -67.26 -43.22 82.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 74.23 110.888 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -78.67 -46.45 19.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 72.53 110.939 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.34 -53.88 25.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 72.44 111.067 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.47 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.1 OUTLIER -83.69 13.75 4.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 72.32 110.841 -179.779 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 40.02 46.57 3.23 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.769 -0.729 . . . . 74.04 112.443 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.586 ' HA ' HD13 ' A' ' 81' ' ' LEU . 14.5 mtm 64.9 36.42 7.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.691 0.281 . . . . 53.03 110.875 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.47 ' HB2' ' O ' ' A' ' 84' ' ' SER . 0.9 OUTLIER -63.7 -165.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 74.24 110.897 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -143.71 71.63 17.25 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.61 0.719 . . . . 52.14 110.834 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.598 ' HG2' HD11 ' A' ' 76' ' ' LEU . 53.3 Cg_endo -69.84 -41.39 4.22 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.597 2.198 . . . . 62.02 112.369 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.486 HD11 ' HB3' ' A' ' 59' ' ' GLN . 17.8 mm . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.438 . . . . 63.44 111.099 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.0 tmm_? . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.912 0.387 . . . . 71.11 110.849 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.548 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 8.8 t -51.51 122.22 7.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 65.02 110.882 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -77.48 1.23 19.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 70.11 110.942 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.408 ' HB3' HD11 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -118.76 -21.27 7.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.455 . . . . 74.12 110.915 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.548 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 8.8 m -108.92 -24.1 11.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 72.01 110.917 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 63.19 36.62 11.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 71.22 110.926 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -141.97 178.05 7.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 64.33 111.092 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -64.32 130.58 44.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 74.53 110.958 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.54 108.42 19.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 74.24 111.125 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.4 mtmm -63.82 -60.72 2.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 72.22 110.94 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.6 m -125.46 70.9 64.55 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.57 0.7 . . . . 71.52 110.864 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 151.68 69.48 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.678 2.252 . . . . 74.22 112.334 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.534 ' HB2' HD21 ' A' ' 81' ' ' LEU . 6.2 mmtt -126.89 156.45 41.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 73.44 110.95 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.5 mp -95.21 93.78 7.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 43.35 110.858 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.452 HD12 ' HB2' ' A' ' 74' ' ' HIS . 19.8 mt -48.36 161.66 0.38 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.682 0.753 . . . . 71.05 110.888 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -7.47 21.12 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.693 2.262 . . . . 73.5 112.347 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.466 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 67.8 m -103.97 15.64 28.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 71.12 110.935 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.9 mt 69.31 26.53 5.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.071 -0.513 . . . . 73.21 110.916 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.466 ' CE1' ' HB3' ' A' ' 72' ' ' CYS . 32.3 m170 -96.28 164.79 12.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.265 -0.425 . . . . 75.22 110.871 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 24.0 m -120.6 111.0 17.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 74.21 111.131 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.742 HD23 ' HB3' ' A' ' 80' ' ' CYS . 2.8 mp -122.38 171.95 8.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 51.52 110.89 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 31.1 p -99.06 160.64 14.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 71.55 110.889 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.59 -54.79 19.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 53.44 110.838 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.09 -29.18 35.32 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.826 -0.702 . . . . 43.32 112.49 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.742 ' HB3' HD23 ' A' ' 76' ' ' LEU . 1.1 m -74.77 -33.96 62.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.856 0.36 . . . . 74.13 110.835 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.585 HD12 ' HG2' ' A' ' 86' ' ' MET . 2.9 mm? -66.68 -42.41 86.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 74.23 110.961 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -79.3 -49.66 12.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 72.53 110.901 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.39 -53.82 42.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 72.44 111.075 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.518 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.8 OUTLIER -83.32 13.2 4.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 72.32 110.815 -179.734 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 39.52 46.17 2.74 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.763 -0.732 . . . . 74.04 112.481 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.585 ' HG2' HD12 ' A' ' 81' ' ' LEU . 5.0 mtp 67.09 36.28 4.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.693 0.282 . . . . 53.03 110.865 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.518 ' HB2' ' O ' ' A' ' 84' ' ' SER . 0.6 OUTLIER -63.46 -166.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 74.24 110.893 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -142.95 71.87 18.79 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.642 0.734 . . . . 52.14 110.906 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.732 ' HG2' HD11 ' A' ' 76' ' ' LEU . 53.6 Cg_endo -69.84 -41.84 3.83 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.639 2.226 . . . . 62.02 112.335 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.408 HD11 ' HB3' ' A' ' 59' ' ' GLN . 18.5 mm . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 63.44 111.159 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.822 0.344 . . . . 71.11 110.889 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.521 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 10.2 t -50.5 119.11 3.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 65.02 110.839 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -76.33 1.73 15.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 70.11 110.983 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.423 ' HB3' HD11 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -117.81 -20.97 8.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 74.12 110.949 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.521 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 8.7 m -109.63 -24.07 11.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 72.01 110.853 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 63.06 37.81 11.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 71.22 110.838 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -144.34 179.27 7.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.292 -0.413 . . . . 64.33 111.091 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -66.84 128.98 38.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 74.53 110.921 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -105.93 112.77 25.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 74.24 111.152 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.86 -66.47 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 72.22 110.939 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.5 m -117.36 71.08 6.38 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.624 0.726 . . . . 71.52 110.893 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 147.8 64.13 Favored 'Trans proline' 0 N--CA 1.465 -0.196 0 C-N-CA 122.742 2.295 . . . . 74.22 112.404 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.452 ' HB2' HD21 ' A' ' 81' ' ' LEU . 21.0 mmtm -123.59 156.25 36.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 73.44 110.876 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.424 HD13 ' O ' ' A' ' 74' ' ' HIS . 1.9 mm? -97.51 95.87 7.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 43.35 110.907 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.413 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 19.9 mt -49.09 162.45 0.39 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.648 0.737 . . . . 71.05 110.919 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.413 ' HD2' ' HB3' ' A' ' 70' ' ' LEU . 53.8 Cg_endo -69.73 -6.28 18.2 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.697 2.264 . . . . 73.5 112.329 179.796 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.447 ' CB ' ' CE1' ' A' ' 74' ' ' HIS . 86.5 m -104.34 12.68 33.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 71.12 110.851 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.5 mt 70.34 34.52 2.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 73.21 110.869 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.447 ' CE1' ' CB ' ' A' ' 72' ' ' CYS . 31.7 m170 -102.55 164.7 11.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 75.22 110.894 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.0 m -118.53 110.16 17.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 74.21 111.159 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.729 HD23 ' HB3' ' A' ' 80' ' ' CYS . 2.6 mp -122.84 171.19 9.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.256 -0.429 . . . . 51.52 110.901 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 30.0 p -99.95 160.78 14.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 71.55 110.829 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.76 -54.9 19.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 53.44 110.853 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.1 -29.4 35.96 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.756 -0.735 . . . . 43.32 112.506 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.729 ' HB3' HD23 ' A' ' 76' ' ' LEU . 1.0 OUTLIER -73.71 -34.03 64.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.91 0.386 . . . . 74.13 110.835 -179.843 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.517 HD13 ' HA ' ' A' ' 86' ' ' MET . 1.4 mm? -66.29 -43.69 85.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 74.23 110.916 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -77.68 -48.34 16.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 72.53 110.804 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.51 -54.26 30.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 72.44 111.07 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.511 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.9 OUTLIER -83.06 12.55 4.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 72.32 110.845 -179.775 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 39.62 45.59 2.72 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.762 -0.733 . . . . 74.04 112.536 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.517 ' HA ' HD13 ' A' ' 81' ' ' LEU . 1.3 mtm 67.94 36.04 3.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.784 0.326 . . . . 53.03 110.877 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.511 ' HB2' ' O ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -63.85 -165.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.268 -0.423 . . . . 74.24 110.928 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -143.11 72.01 18.34 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.657 0.741 . . . . 52.14 110.92 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.72 ' HG2' HD11 ' A' ' 76' ' ' LEU . 53.9 Cg_endo -69.8 -42.37 3.42 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.625 2.216 . . . . 62.02 112.342 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.423 HD11 ' HB3' ' A' ' 59' ' ' GLN . 18.5 mm . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 63.44 111.188 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.869 0.366 . . . . 71.11 110.851 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.541 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 9.2 t -52.86 122.91 10.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 65.02 110.854 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -77.4 1.58 18.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 70.11 110.916 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.511 ' HB3' HD11 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -119.58 -22.49 6.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 74.12 110.873 -179.917 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.541 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 10.3 m -108.06 -24.04 11.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 72.01 110.889 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 63.9 34.91 11.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 71.22 110.919 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -140.95 178.9 7.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 64.33 111.096 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -63.59 131.35 47.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 74.53 110.925 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -107.13 107.2 18.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 74.24 111.074 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.7 mtmt -61.97 -70.99 0.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 72.22 110.915 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.6 m -116.5 71.56 4.92 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.537 0.684 . . . . 71.52 110.869 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.74 163.92 36.45 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.657 2.238 . . . . 74.22 112.408 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.454 ' HB2' HD21 ' A' ' 81' ' ' LEU . 1.2 mmmp? -138.41 156.06 47.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.289 -0.414 . . . . 73.44 110.954 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.9 95.62 8.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.275 -0.421 . . . . 43.35 110.922 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.415 HD12 ' HB2' ' A' ' 74' ' ' HIS . 19.8 mt -50.45 161.86 0.58 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.541 0.686 . . . . 71.05 110.955 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.401 ' HD2' ' HB3' ' A' ' 70' ' ' LEU . 54.3 Cg_endo -69.73 -7.38 20.91 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.647 2.231 . . . . 73.5 112.36 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.47 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 68.2 m -102.98 15.26 29.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 71.12 110.899 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.3 mt 71.58 21.36 4.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 73.21 110.911 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.47 ' CE1' ' HB3' ' A' ' 72' ' ' CYS . 24.7 m170 -92.9 165.02 13.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 75.22 110.872 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -125.25 112.14 16.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 74.21 111.129 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.81 HD23 ' HB3' ' A' ' 80' ' ' CYS . 4.0 mp -120.33 171.75 8.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 51.52 110.891 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 30.1 p -96.83 166.64 11.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 71.55 110.847 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 63.5 p -53.9 -56.8 14.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 53.44 110.821 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -52.83 -27.74 29.55 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.688 -0.767 . . . . 43.32 112.517 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.81 ' HB3' HD23 ' A' ' 76' ' ' LEU . 1.1 m -74.4 -35.49 63.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.844 0.354 . . . . 74.13 110.862 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.505 HD13 ' HA ' ' A' ' 86' ' ' MET . 1.8 mm? -66.22 -42.73 88.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 74.23 110.855 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -78.25 -52.17 9.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 72.53 110.882 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.37 -54.37 41.34 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.159 -0.473 . . . . 72.44 111.12 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.524 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.1 OUTLIER -83.98 12.09 6.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 72.32 110.83 -179.792 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 38.86 47.24 2.39 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.724 -0.751 . . . . 74.04 112.531 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.505 ' HA ' HD13 ' A' ' 81' ' ' LEU . 1.6 mtm 66.54 35.86 5.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.675 0.274 . . . . 53.03 110.902 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.524 ' HB2' ' O ' ' A' ' 84' ' ' SER . 0.6 OUTLIER -63.12 -165.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 74.24 110.847 -179.886 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -141.24 71.93 27.04 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.645 0.736 . . . . 52.14 110.93 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.681 ' HG2' HD11 ' A' ' 76' ' ' LEU . 53.6 Cg_endo -69.79 -41.37 4.29 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.673 2.249 . . . . 62.02 112.31 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.511 HD11 ' HB3' ' A' ' 59' ' ' GLN . 16.3 mm . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 63.44 111.107 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.3 tmm_? . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.82 0.343 . . . . 71.11 110.903 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.541 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 9.1 t -49.67 121.57 5.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 65.02 110.828 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -77.43 0.88 20.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 70.11 110.89 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.461 ' HB3' HD11 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -117.61 -21.71 8.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 74.12 110.878 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.541 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 7.3 m -108.39 -24.47 11.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 72.01 110.812 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 63.44 35.15 12.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.226 -0.443 . . . . 71.22 110.843 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -141.24 178.42 7.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 64.33 111.131 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -63.26 133.46 54.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.237 -0.438 . . . . 74.53 110.903 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -107.94 108.88 20.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 74.24 111.149 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt -64.44 -62.88 1.32 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 72.22 110.872 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.3 m -122.29 70.23 32.48 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.586 0.707 . . . . 71.52 110.897 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 151.49 68.77 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.689 2.259 . . . . 74.22 112.28 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.552 ' HB2' HD21 ' A' ' 81' ' ' LEU . 8.1 mtpp -126.74 156.12 41.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 73.44 110.918 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 28.3 mt -96.62 92.43 6.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 43.35 110.936 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.419 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 19.6 mt -47.73 162.42 0.31 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.605 0.717 . . . . 71.05 110.858 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.419 ' HD2' ' HB3' ' A' ' 70' ' ' LEU . 54.1 Cg_endo -69.65 -6.79 19.39 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.697 2.265 . . . . 73.5 112.354 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.455 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 75.9 m -103.77 15.29 29.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 71.12 110.93 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.1 mt 67.9 31.54 5.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 73.21 110.904 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.455 ' CE1' ' HB3' ' A' ' 72' ' ' CYS . 35.3 m170 -99.8 164.63 11.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.295 -0.411 . . . . 75.22 110.839 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 41.9 m -120.28 105.74 11.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 74.21 111.14 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.73 HD23 ' HB3' ' A' ' 80' ' ' CYS . 2.7 mp -117.73 171.44 8.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 51.52 110.898 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 30.3 p -99.92 160.42 14.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 71.55 110.926 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.06 -55.21 15.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 53.44 110.886 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -52.69 -29.67 33.48 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.704 -0.76 . . . . 43.32 112.482 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.73 ' HB3' HD23 ' A' ' 76' ' ' LEU . 1.1 m -74.53 -33.72 62.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.904 0.383 . . . . 74.13 110.872 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.599 HD12 ' HG2' ' A' ' 86' ' ' MET . 3.0 mm? -66.65 -43.15 85.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 74.23 110.911 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -78.38 -50.27 12.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 72.53 110.835 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.39 -53.55 50.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.135 -0.484 . . . . 72.44 111.069 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.542 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.1 OUTLIER -84.87 13.25 6.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 72.32 110.823 -179.719 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 38.52 48.24 2.28 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.744 -0.741 . . . . 74.04 112.517 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.599 ' HG2' HD12 ' A' ' 81' ' ' LEU . 25.2 mtm 65.78 35.97 6.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.794 0.331 . . . . 53.03 110.924 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.542 ' HB2' ' O ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -63.37 -165.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 74.24 110.905 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -143.06 72.65 18.37 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.639 0.733 . . . . 52.14 110.88 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.672 ' HG2' HD11 ' A' ' 76' ' ' LEU . 53.5 Cg_endo -69.75 -40.66 5.07 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.687 2.258 . . . . 62.02 112.3 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.461 HD11 ' HB3' ' A' ' 59' ' ' GLN . 15.3 mm . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 63.44 111.19 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.851 0.358 . . . . 71.11 110.856 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.557 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 9.1 t -60.81 123.91 18.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 65.02 110.845 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 23.4 mm100 -77.5 1.29 19.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 70.11 110.886 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.619 ' HB3' HD11 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -119.62 -22.86 6.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 74.12 110.914 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.557 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 10.6 m -107.64 -23.72 12.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 72.01 110.918 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 63.68 36.51 10.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 71.22 110.893 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -142.99 177.44 8.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 64.33 111.127 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -62.11 131.46 49.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 74.53 110.844 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -108.35 107.52 18.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.472 . . . . 74.24 111.11 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.7 mtmt -62.64 -71.18 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 72.22 110.875 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.6 m -114.08 71.91 2.15 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.619 0.723 . . . . 71.52 110.866 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.72 163.05 39.68 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.714 2.276 . . . . 74.22 112.325 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.442 ' HB2' HD21 ' A' ' 81' ' ' LEU . 45.8 mmtm -139.5 156.07 47.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.188 -0.46 . . . . 73.44 110.85 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.2 mt -94.69 114.04 25.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 43.35 110.915 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.528 HD21 HD13 ' A' ' 76' ' ' LEU . 4.6 mm? -50.86 161.23 0.69 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.605 0.717 . . . . 71.05 110.946 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.417 ' HD2' HD12 ' A' ' 70' ' ' LEU . 53.8 Cg_endo -69.74 -7.9 22.23 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.692 2.261 . . . . 73.5 112.312 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.48 ' O ' HD23 ' A' ' 73' ' ' LEU . 3.8 m -106.39 -71.38 0.75 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 71.12 110.942 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.48 HD23 ' O ' ' A' ' 72' ' ' CYS . 0.3 OUTLIER 175.14 55.25 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 73.21 110.92 179.92 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -133.97 165.39 25.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 75.22 110.898 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.0 m -125.03 117.28 23.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 74.21 111.145 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.785 HD23 ' HB3' ' A' ' 80' ' ' CYS . 2.9 mp -119.86 172.09 7.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 51.52 110.931 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 31.5 p -97.82 160.86 14.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 71.55 110.884 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.07 -53.99 28.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 53.44 110.921 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.71 -28.65 38.97 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.768 -0.729 . . . . 43.32 112.463 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.785 ' HB3' HD23 ' A' ' 76' ' ' LEU . 1.1 m -74.66 -32.88 62.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.908 0.385 . . . . 74.13 110.922 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.643 HD13 ' HA ' ' A' ' 86' ' ' MET . 0.9 OUTLIER -67.27 -43.34 82.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 74.23 110.941 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -78.15 -44.15 26.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 72.53 110.85 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.93 -52.81 31.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 72.44 111.14 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.565 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.7 OUTLIER -83.16 14.83 3.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 72.32 110.887 -179.849 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 39.8 44.5 2.63 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.722 -0.752 . . . . 74.04 112.438 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.643 ' HA ' HD13 ' A' ' 81' ' ' LEU . 0.2 OUTLIER 69.15 36.74 2.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.658 0.266 . . . . 53.03 110.833 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.565 ' HB2' ' O ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -68.74 -163.71 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.302 -0.408 . . . . 74.24 110.901 -179.918 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -152.58 72.19 7.43 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.574 0.702 . . . . 52.14 110.858 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 -37.87 8.52 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.718 2.278 . . . . 62.02 112.299 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.619 HD11 ' HB3' ' A' ' 59' ' ' GLN . 21.7 mm . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 63.44 111.154 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.87 0.367 . . . . 71.11 110.846 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.514 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 10.2 t -49.84 119.35 3.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 65.02 110.913 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 23.7 mm100 -76.5 0.89 18.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 70.11 110.883 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.81 -20.86 9.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 74.12 110.901 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.514 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 7.2 m -109.44 -24.69 10.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 72.01 110.942 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 63.68 37.16 10.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 71.22 110.921 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -142.63 177.9 7.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 64.33 111.07 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.49 132.61 53.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 74.53 110.827 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -110.73 109.51 19.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 74.24 111.09 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.82 -67.78 0.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 72.22 110.826 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.425 ' HB3' ' HB2' ' A' ' 78' ' ' SER . 0.9 OUTLIER -118.6 71.74 10.08 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.632 0.73 . . . . 71.52 110.84 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 141.81 46.45 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.736 2.29 . . . . 74.22 112.32 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.551 ' HB2' HD21 ' A' ' 81' ' ' LEU . 14.3 mmmm -116.11 156.23 26.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 73.44 110.947 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.494 HD23 ' O ' ' A' ' 74' ' ' HIS . 5.0 mt -98.7 94.8 6.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.212 -0.449 . . . . 43.35 110.959 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.414 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 19.7 mt -47.65 162.39 0.31 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.657 0.742 . . . . 71.05 110.943 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.414 ' HD2' ' HB3' ' A' ' 70' ' ' LEU . 54.0 Cg_endo -69.75 -6.39 18.49 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.72 2.28 . . . . 73.5 112.371 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.443 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 81.5 m -103.82 14.0 31.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 71.12 110.865 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.3 mt 69.08 33.61 3.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 73.21 110.873 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.494 ' O ' HD23 ' A' ' 69' ' ' LEU . 33.8 m170 -101.93 164.76 11.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 75.22 110.874 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 94.8 m -119.55 113.61 20.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.296 -0.411 . . . . 74.21 111.161 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.741 HD11 ' HG2' ' A' ' 89' ' ' PRO . 3.0 mp -126.26 171.75 10.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 51.52 110.898 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 27.8 p -100.46 161.01 13.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 71.55 110.862 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.425 ' HB2' ' HB3' ' A' ' 66' ' ' CYS . 0.0 OUTLIER -50.29 -54.31 22.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 53.44 110.823 -179.799 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.42 -31.91 44.2 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.753 -0.737 . . . . 43.32 112.49 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.735 ' HB3' HD23 ' A' ' 76' ' ' LEU . 1.1 m -71.4 -33.47 69.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.837 0.351 . . . . 74.13 110.866 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.588 HD13 ' HA ' ' A' ' 86' ' ' MET . 2.9 mm? -66.52 -43.4 85.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 74.23 110.909 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -79.54 -48.97 12.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 72.53 110.873 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.03 -55.44 16.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 72.44 111.11 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.43 ' CB ' ' HB2' ' A' ' 87' ' ' GLN . 0.8 OUTLIER -81.82 13.31 3.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 72.32 110.89 -179.806 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 40.62 46.58 3.74 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 74.04 112.432 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.588 ' HA ' HD13 ' A' ' 81' ' ' LEU . 0.3 OUTLIER 62.8 35.45 13.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.705 0.288 . . . . 53.03 110.9 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.43 ' HB2' ' CB ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -61.98 -168.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 74.24 110.906 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -137.9 70.01 50.36 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.639 0.733 . . . . 52.14 110.844 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.741 ' HG2' HD11 ' A' ' 76' ' ' LEU . 52.8 Cg_endo -69.84 -42.38 3.37 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.678 2.252 . . . . 62.02 112.269 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 30.2 mm . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 63.44 111.177 179.91 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.0 tmm_? . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.868 0.366 . . . . 71.11 110.822 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.532 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 8.9 t -51.74 121.77 7.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 65.02 110.895 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -76.73 -1.03 25.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 70.11 110.937 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.7 -20.55 9.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 74.12 110.854 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.532 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 14.9 m -111.43 -14.27 13.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 72.01 110.863 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 52.09 38.84 25.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 71.22 110.944 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -141.9 179.47 6.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 64.33 111.039 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -62.96 134.61 56.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.135 -0.484 . . . . 74.53 110.87 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -113.51 108.06 16.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 74.24 111.12 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 42.3 mtmt -63.9 -68.73 0.33 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 72.22 110.956 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.3 m -115.8 70.97 3.69 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.662 0.744 . . . . 71.52 110.868 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 152.59 69.43 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.722 2.281 . . . . 74.22 112.355 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.534 ' HB2' HD21 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -125.6 156.07 39.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 73.44 110.901 179.872 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 66.5 mt -101.98 91.46 4.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 43.35 110.895 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.442 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 19.9 mt -48.75 162.55 0.36 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.68 0.753 . . . . 71.05 110.904 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.442 ' HD2' ' HB3' ' A' ' 70' ' ' LEU . 54.1 Cg_endo -69.69 -7.0 19.92 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.692 2.261 . . . . 73.5 112.357 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.428 ' CB ' ' CE1' ' A' ' 74' ' ' HIS . 84.1 m -101.52 13.04 36.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 71.12 110.947 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.3 mt 69.79 33.72 2.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.494 . . . . 73.21 110.881 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.428 ' CE1' ' CB ' ' A' ' 72' ' ' CYS . 34.6 m170 -100.83 164.88 11.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 75.22 110.894 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 89.1 m -125.36 104.5 8.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 74.21 111.205 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.733 HD23 ' HB3' ' A' ' 80' ' ' CYS . 3.5 mp -115.34 172.52 7.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 51.52 110.895 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 26.8 p -100.43 167.94 10.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 71.55 110.89 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 97.3 p -54.55 -57.21 12.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 53.44 110.874 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -51.57 -31.99 30.62 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.675 -0.774 . . . . 43.32 112.456 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.733 ' HB3' HD23 ' A' ' 76' ' ' LEU . 1.2 m -70.92 -33.37 70.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.849 0.356 . . . . 74.13 110.88 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.534 HD21 ' HB2' ' A' ' 68' ' ' LYS . 3.3 mm? -67.52 -43.63 80.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 74.23 110.891 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -79.25 -51.7 9.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 72.53 110.818 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.15 -55.42 21.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 72.44 111.075 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 87' ' ' GLN . 0.9 OUTLIER -84.31 14.74 4.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 72.32 110.823 -179.713 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 38.33 49.14 2.25 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.688 -0.768 . . . . 74.04 112.542 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.459 ' HA ' HD13 ' A' ' 81' ' ' LEU . 1.2 mtm 60.44 36.33 20.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.707 0.289 . . . . 53.03 110.872 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -60.08 -168.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.248 -0.433 . . . . 74.24 110.975 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -137.95 70.41 49.82 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.623 0.725 . . . . 52.14 110.885 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.711 ' HG2' HD11 ' A' ' 76' ' ' LEU . 53.7 Cg_endo -69.79 -42.34 3.46 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.606 2.204 . . . . 62.02 112.357 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.6 mm . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 63.44 111.164 179.891 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.1 tmm_? . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.85 0.357 . . . . 71.11 110.914 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.522 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 10.2 t -50.94 120.35 4.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 65.02 110.933 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.487 ' C ' HD11 ' A' ' 90' ' ' ILE . 19.2 mm100 -76.86 -0.58 24.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 70.11 110.838 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.44 -20.53 10.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.311 -0.404 . . . . 74.12 110.91 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.522 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 14.4 m -110.66 -21.75 11.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 72.01 110.952 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 60.14 37.22 20.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 71.22 110.887 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -142.45 177.6 8.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 64.33 111.12 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -65.57 130.45 43.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 74.53 110.849 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -106.06 110.76 23.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 74.24 111.083 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 39.4 mtmt -60.38 -62.55 1.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 72.22 110.898 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.416 ' HB3' ' HB2' ' A' ' 78' ' ' SER . 0.9 OUTLIER -126.62 74.75 74.86 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.717 0.77 . . . . 71.52 110.856 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 155.46 65.71 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.707 2.271 . . . . 74.22 112.34 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.3 mtmt -134.32 156.14 48.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 73.44 110.917 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 55.1 mt -92.8 104.6 16.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 43.35 110.939 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.432 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 19.3 mt -48.19 161.9 0.36 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.652 0.739 . . . . 71.05 110.902 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.432 ' HD2' ' HB3' ' A' ' 70' ' ' LEU . 53.8 Cg_endo -69.67 -7.15 20.29 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.744 2.296 . . . . 73.5 112.359 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 1.3 m -96.32 -79.7 0.44 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.431 . . . . 71.12 110.891 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.6 pp 175.38 41.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 73.21 110.906 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.408 ' CG ' ' HB ' ' A' ' 90' ' ' ILE . 2.6 m-70 -128.24 164.69 22.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.274 -0.421 . . . . 75.22 110.901 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 60.7 m -115.5 123.69 49.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.242 -0.435 . . . . 74.21 111.125 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.789 HD23 ' HB3' ' A' ' 80' ' ' CYS . 3.9 mp -124.93 171.44 10.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.308 -0.406 . . . . 51.52 110.97 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 29.9 p -95.83 159.41 14.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 71.55 110.842 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.416 ' HB2' ' HB3' ' A' ' 66' ' ' CYS . 0.0 OUTLIER -49.03 -53.42 20.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 53.44 110.825 -179.827 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -55.18 -29.35 52.2 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.728 -0.748 . . . . 43.32 112.465 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.789 ' HB3' HD23 ' A' ' 76' ' ' LEU . 1.0 OUTLIER -73.67 -37.25 65.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.856 0.36 . . . . 74.13 110.835 -179.871 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.544 HD13 ' HA ' ' A' ' 86' ' ' MET . 2.2 mm? -63.94 -41.84 97.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 74.23 110.987 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -79.33 -52.38 8.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 72.53 110.892 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.16 -54.6 38.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 72.44 111.102 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.474 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.1 OUTLIER -82.12 12.37 4.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 72.32 110.926 -179.836 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 39.52 46.74 2.84 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.724 -0.751 . . . . 74.04 112.508 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.544 ' HA ' HD13 ' A' ' 81' ' ' LEU . 10.2 mtp 66.07 36.86 5.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.749 0.309 . . . . 53.03 110.886 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.474 ' HB2' ' O ' ' A' ' 84' ' ' SER . 0.1 OUTLIER -62.07 -164.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 74.24 110.9 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -147.12 71.14 12.12 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.631 0.729 . . . . 52.14 110.9 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.432 ' HG2' HD11 ' A' ' 76' ' ' LEU . 53.3 Cg_endo -69.79 -45.48 1.56 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.708 2.272 . . . . 62.02 112.282 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.487 HD11 ' C ' ' A' ' 58' ' ' GLN . 20.4 mm . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.279 -0.419 . . . . 63.44 111.171 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.0 tmm_? . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.863 0.363 . . . . 71.11 110.898 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.499 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 10.9 t -49.35 118.41 2.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 65.02 110.929 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.3 mm100 -76.06 1.04 16.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 70.11 110.903 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.514 ' HB3' HD11 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -116.39 -20.91 9.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 74.12 110.9 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.499 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 8.1 m -109.77 -24.89 10.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 72.01 110.844 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 63.88 38.6 8.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 71.22 110.935 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -145.56 179.69 7.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 64.33 111.114 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -66.21 131.19 45.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 74.53 110.833 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -111.34 113.94 26.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.08 -0.509 . . . . 74.24 111.147 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -68.84 0.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 72.22 110.809 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.8 t -114.08 71.87 2.14 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.644 0.735 . . . . 71.52 110.821 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 146.02 58.45 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.648 2.232 . . . . 74.22 112.342 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.648 ' HB2' HD21 ' A' ' 81' ' ' LEU . 0.5 OUTLIER -123.01 157.12 33.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 73.44 110.889 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.677 HD23 ' O ' ' A' ' 74' ' ' HIS . 7.5 mt -103.01 97.9 7.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 43.35 110.908 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.475 HD12 ' HD2' ' A' ' 71' ' ' PRO . 4.4 mm? -48.83 163.98 0.31 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.621 0.724 . . . . 71.05 110.922 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.475 ' HD2' HD12 ' A' ' 70' ' ' LEU . 53.9 Cg_endo -69.69 -4.56 14.23 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.752 2.302 . . . . 73.5 112.318 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.463 ' HB2' ' CE1' ' A' ' 74' ' ' HIS . 81.7 m -104.73 10.58 34.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 71.12 110.892 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.4 mt 71.89 37.25 1.06 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.193 -0.458 . . . . 73.21 110.924 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.677 ' O ' HD23 ' A' ' 69' ' ' LEU . 33.0 m170 -104.44 165.36 11.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 75.22 110.845 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.7 m -118.35 118.26 31.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 74.21 111.175 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.705 HD11 ' HG2' ' A' ' 89' ' ' PRO . 2.6 mp -130.4 172.32 12.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 51.52 110.923 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.513 ' O ' HD23 ' A' ' 81' ' ' LEU . 26.6 p -101.85 176.49 5.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 71.55 110.882 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 96.6 p -63.75 -55.95 19.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 53.44 110.852 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -51.8 -29.65 26.85 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.792 -0.718 . . . . 43.32 112.518 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.702 ' HB3' HD23 ' A' ' 76' ' ' LEU . 1.3 m -74.08 -32.61 63.34 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.883 0.373 . . . . 74.13 110.909 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.648 HD21 ' HB2' ' A' ' 68' ' ' LYS . 3.5 mm? -68.33 -43.52 77.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 74.23 110.921 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -77.47 -47.89 18.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 72.53 110.876 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.82 -52.96 46.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 72.44 111.115 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.582 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.8 OUTLIER -86.2 14.62 6.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 72.32 110.882 -179.817 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 84' ' ' SER . . . 37.84 48.97 1.95 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.79 -0.719 . . . . 74.04 112.475 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.628 ' HA ' HD13 ' A' ' 81' ' ' LEU . 10.1 mtm 65.59 37.51 5.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.814 0.34 . . . . 53.03 110.923 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.582 ' HB2' ' O ' ' A' ' 84' ' ' SER . 0.1 OUTLIER -67.92 -164.39 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 74.24 110.882 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -144.1 74.23 16.06 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.594 0.711 . . . . 52.14 110.933 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.705 ' HG2' HD11 ' A' ' 76' ' ' LEU . 54.2 Cg_endo -69.73 -39.89 6.02 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.649 2.233 . . . . 62.02 112.347 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.514 HD11 ' HB3' ' A' ' 59' ' ' GLN . 22.2 mm . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 63.44 111.145 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.862 0.363 . . . . 71.11 110.815 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.529 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 9.3 t -49.7 119.78 3.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 65.02 110.85 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -76.83 1.63 16.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.171 -0.468 . . . . 70.11 110.857 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.17 -20.39 8.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 74.12 110.87 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.529 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 7.4 m -110.18 -24.27 10.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 72.01 110.84 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 63.4 37.68 10.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.173 -0.467 . . . . 71.22 110.842 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -143.49 178.73 7.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 64.33 111.098 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -64.42 132.04 48.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 74.53 110.829 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -107.26 108.51 19.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 74.24 111.136 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.8 mtmm -64.77 -65.62 0.65 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 72.22 110.884 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.4 m -118.08 70.51 7.94 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.567 0.699 . . . . 71.52 110.853 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.68 159.49 53.26 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.651 2.234 . . . . 74.22 112.432 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.6 ' HB2' HD21 ' A' ' 81' ' ' LEU . 11.2 mtpt -133.4 154.22 50.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 73.44 110.925 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 29.0 mt -99.08 91.42 5.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 43.35 110.95 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.413 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 20.1 mt -48.72 161.82 0.39 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.589 0.709 . . . . 71.05 110.91 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.413 ' HD2' ' HB3' ' A' ' 70' ' ' LEU . 52.7 Cg_endo -69.87 -6.57 18.97 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.669 2.246 . . . . 73.5 112.285 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.431 ' CB ' ' CE1' ' A' ' 74' ' ' HIS . 89.8 m -102.17 12.74 36.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 71.12 110.872 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.2 mt 70.17 34.48 2.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 73.21 110.915 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.431 ' CE1' ' CB ' ' A' ' 72' ' ' CYS . 31.6 m170 -102.98 164.73 11.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 75.22 110.853 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.5 m -123.9 105.58 9.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 74.21 111.153 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.732 HD23 ' HB3' ' A' ' 80' ' ' CYS . 2.9 mp -117.31 171.76 7.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 51.52 110.927 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 30.5 p -99.53 160.76 14.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 71.55 110.849 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.32 -54.87 18.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 53.44 110.852 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.13 -29.35 36.11 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.742 -0.742 . . . . 43.32 112.47 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.732 ' HB3' HD23 ' A' ' 76' ' ' LEU . 1.1 m -74.8 -33.32 62.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.846 0.355 . . . . 74.13 110.865 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.6 HD21 ' HB2' ' A' ' 68' ' ' LYS . 3.0 mm? -66.63 -43.31 85.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 74.23 110.865 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -78.49 -47.26 17.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 72.53 110.853 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.05 -53.65 35.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 72.44 111.048 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.512 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.1 OUTLIER -84.19 13.03 5.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 72.32 110.84 -179.762 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 39.74 46.73 3.03 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.762 -0.733 . . . . 74.04 112.432 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.583 ' HG2' HD12 ' A' ' 81' ' ' LEU . 15.4 mtm 66.78 36.82 4.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.745 0.307 . . . . 53.03 110.877 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.512 ' HB2' ' O ' ' A' ' 84' ' ' SER . 0.4 OUTLIER -64.27 -166.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 74.24 110.886 -179.922 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.49 70.88 21.22 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.65 0.738 . . . . 52.14 110.833 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.713 ' HG2' HD11 ' A' ' 76' ' ' LEU . 53.7 Cg_endo -69.8 -43.09 2.83 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.698 2.265 . . . . 62.02 112.358 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 23.6 mm . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 63.44 111.14 179.916 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.875 0.369 . . . . 71.11 110.876 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.516 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 9.8 t -49.64 119.68 3.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 65.02 110.88 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -76.29 -0.75 23.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 70.11 110.945 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.479 ' HB3' HD11 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -114.57 -21.95 10.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 74.12 110.888 -179.905 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.516 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 11.0 m -108.35 -24.75 11.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 72.01 110.884 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 63.34 37.03 11.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 71.22 110.928 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -142.23 177.61 8.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 64.33 111.125 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -63.86 131.57 48.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 74.53 110.931 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -107.45 110.18 22.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 74.24 111.111 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 15.8 mtmm -63.05 -64.97 0.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 72.22 110.892 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.6 t -121.17 72.27 24.69 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.547 0.689 . . . . 71.52 110.912 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 152.76 69.06 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.594 2.196 . . . . 74.22 112.36 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.411 ' HB2' HD21 ' A' ' 81' ' ' LEU . 22.2 mmtp -134.22 156.35 48.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 73.44 110.921 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 49.6 mt -89.95 109.57 20.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 43.35 110.932 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.471 HD11 HD22 ' A' ' 76' ' ' LEU . 1.5 mp -50.47 163.96 0.43 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.589 0.709 . . . . 71.05 110.883 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 -9.35 25.87 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.715 2.277 . . . . 73.5 112.276 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 1.4 m -97.33 -82.12 0.42 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 71.12 110.907 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.413 HD12 ' CE1' ' A' ' 74' ' ' HIS . 0.4 OUTLIER -178.87 34.25 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 73.21 110.937 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.431 ' CG ' ' HB ' ' A' ' 90' ' ' ILE . 1.6 m-70 -120.53 164.87 15.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 75.22 110.867 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.448 ' O ' HD12 ' A' ' 76' ' ' LEU . 27.1 m -114.78 131.24 56.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 74.21 111.119 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.758 HD23 ' HB3' ' A' ' 80' ' ' CYS . 4.0 mp -129.8 172.54 11.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 51.52 110.954 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 27.9 p -97.8 170.74 8.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 71.55 110.914 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 92.9 p -57.28 -56.56 20.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 53.44 110.898 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -52.54 -29.37 31.61 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.725 -0.75 . . . . 43.32 112.471 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.758 ' HB3' HD23 ' A' ' 76' ' ' LEU . 1.2 m -74.34 -34.58 63.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.889 0.376 . . . . 74.13 110.882 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.603 HD13 ' HA ' ' A' ' 86' ' ' MET . 3.2 mm? -67.42 -42.34 83.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 74.23 110.937 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -78.34 -51.41 10.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 72.53 110.844 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.29 -53.47 52.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 72.44 111.132 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.548 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.8 OUTLIER -85.64 13.08 7.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 72.32 110.784 -179.74 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 37.72 50.24 1.93 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.698 -0.763 . . . . 74.04 112.55 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.603 ' HA ' HD13 ' A' ' 81' ' ' LEU . 0.1 OUTLIER 63.35 37.65 10.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.712 0.291 . . . . 53.03 110.808 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.548 ' HB2' ' O ' ' A' ' 84' ' ' SER . 1.0 OUTLIER -64.88 -164.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.312 -0.404 . . . . 74.24 110.906 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -146.86 71.09 12.41 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.674 0.75 . . . . 52.14 110.905 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -44.44 2.13 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.702 2.268 . . . . 62.02 112.337 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.479 HD11 ' HB3' ' A' ' 59' ' ' GLN . 25.9 mm . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 63.44 111.087 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.1 tmm_? . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.819 0.342 . . . . 71.11 110.941 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.525 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 9.9 t -52.79 120.77 6.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 65.02 110.866 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -76.51 0.66 19.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 70.11 110.877 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.27 -21.78 8.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 74.12 110.98 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.525 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 13.7 m -109.34 -19.46 13.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 72.01 110.907 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 57.5 38.79 28.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 71.22 110.88 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -144.89 178.87 7.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 64.33 111.056 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -64.54 131.44 47.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 74.53 110.849 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -111.21 113.59 26.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 74.24 111.11 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt -62.68 -70.85 0.18 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.302 -0.408 . . . . 72.22 110.857 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.3 m -115.15 71.08 2.82 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-O 121.627 0.727 . . . . 71.52 110.811 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.84 153.23 68.79 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.645 2.23 . . . . 74.22 112.325 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.522 ' HB2' HD21 ' A' ' 81' ' ' LEU . 8.1 mmpt? -134.27 155.86 49.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 73.44 110.875 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.9 mt -97.13 110.02 22.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 43.35 110.858 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.422 HD13 ' HA ' ' A' ' 70' ' ' LEU . 3.1 mm? -50.48 160.6 0.72 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.617 0.722 . . . . 71.05 110.937 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.412 ' HD2' ' HB3' ' A' ' 70' ' ' LEU . 52.8 Cg_endo -69.8 -5.46 16.29 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.656 2.237 . . . . 73.5 112.331 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 23.0 m -95.22 -79.25 0.43 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 71.12 110.892 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.9 pp 177.54 36.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 73.21 110.895 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -126.39 166.38 17.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 75.22 110.864 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.598 ' O ' HD12 ' A' ' 76' ' ' LEU . 41.7 m -121.0 137.02 54.85 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.211 -0.449 . . . . 74.21 111.187 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.778 HD23 ' HB3' ' A' ' 80' ' ' CYS . 4.3 mp -134.58 172.84 12.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 51.52 110.804 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 28.5 p -98.41 167.67 10.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 71.55 110.936 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 91.4 p -54.72 -55.95 24.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 53.44 110.869 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.05 -28.9 34.31 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.702 -0.761 . . . . 43.32 112.523 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.778 ' HB3' HD23 ' A' ' 76' ' ' LEU . 1.2 m -74.21 -33.37 63.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.86 0.362 . . . . 74.13 110.887 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.647 HD13 ' HA ' ' A' ' 86' ' ' MET . 2.0 mm? -67.75 -43.37 80.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 74.23 110.902 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -77.56 -49.74 14.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 72.53 110.904 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.8 -53.37 51.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 72.44 111.128 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.544 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.1 OUTLIER -85.35 13.27 6.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 72.32 110.843 -179.781 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 84' ' ' SER . . . 38.49 48.07 2.25 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.736 -0.745 . . . . 74.04 112.461 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.647 ' HA ' HD13 ' A' ' 81' ' ' LEU . 0.3 OUTLIER 65.98 37.13 5.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.748 0.308 . . . . 53.03 110.86 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.544 ' HB2' ' O ' ' A' ' 84' ' ' SER . 0.2 OUTLIER -65.77 -165.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 74.24 110.906 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -147.98 72.79 11.3 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.638 0.732 . . . . 52.14 110.909 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 -41.58 4.21 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.663 2.242 . . . . 62.02 112.393 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.8 mm . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 63.44 111.076 179.903 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.861 0.362 . . . . 71.11 110.873 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.541 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 8.5 t -49.97 119.92 3.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.499 . . . . 65.02 110.926 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -76.2 1.59 15.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.107 -0.497 . . . . 70.11 110.926 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.435 ' HB3' HD11 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -118.21 -23.34 7.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 74.12 110.912 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.541 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 10.7 m -106.94 -21.43 13.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 72.01 110.915 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 59.65 37.07 22.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 71.22 110.88 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -142.69 179.73 6.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.281 -0.418 . . . . 64.33 111.088 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -67.9 126.53 29.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 74.53 110.894 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.48 113.15 26.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 74.24 111.118 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.5 mtmp? -63.55 -67.88 0.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 72.22 110.897 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.3 m -115.29 71.78 3.21 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.609 0.719 . . . . 71.52 110.899 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 148.78 65.89 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.586 2.191 . . . . 74.22 112.394 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.52 ' HB2' HD21 ' A' ' 81' ' ' LEU . 28.2 mmtp -128.99 156.96 42.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 73.44 110.869 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.2 mt -91.33 101.77 14.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 43.35 110.914 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.648 HD22 HD13 ' A' ' 76' ' ' LEU . 0.7 OUTLIER -49.36 164.68 0.31 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.631 0.729 . . . . 71.05 110.865 179.885 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 -7.88 22.16 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.732 2.288 . . . . 73.5 112.357 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.424 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 68.6 m -108.05 16.64 23.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 71.12 110.86 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.3 mt 71.42 22.0 4.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 73.21 110.95 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.424 ' CE1' ' HB3' ' A' ' 72' ' ' CYS . 25.5 m170 -92.56 164.77 13.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 75.22 110.935 179.798 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.636 ' O ' HD12 ' A' ' 76' ' ' LEU . 4.3 m -113.14 127.88 56.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.272 -0.422 . . . . 74.21 111.105 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.693 HD23 ' HB3' ' A' ' 80' ' ' CYS . 2.6 mp -138.7 171.99 13.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 51.52 110.903 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 30.2 p -100.98 160.02 14.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 71.55 110.865 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.2 -54.3 21.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 53.44 110.855 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.15 -30.07 38.06 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.722 -0.751 . . . . 43.32 112.44 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.693 ' HB3' HD23 ' A' ' 76' ' ' LEU . 1.1 m -74.17 -32.61 63.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.895 0.379 . . . . 74.13 110.871 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.629 HD13 ' HA ' ' A' ' 86' ' ' MET . 3.0 mm? -67.8 -43.35 79.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 74.23 110.922 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -78.07 -44.93 24.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 72.53 110.898 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.36 -53.58 23.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 72.44 111.115 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.549 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.7 OUTLIER -83.88 14.5 3.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.23 -0.441 . . . . 72.32 110.826 -179.768 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 39.62 45.62 2.72 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.8 -0.714 . . . . 74.04 112.465 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.629 ' HA ' HD13 ' A' ' 81' ' ' LEU . 4.2 mtt 67.82 37.0 3.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.706 0.289 . . . . 53.03 110.916 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.549 ' HB2' ' O ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -67.42 -165.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 74.24 110.899 -179.852 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -148.62 70.65 10.54 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.635 0.731 . . . . 52.14 110.894 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -40.72 4.96 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.666 2.244 . . . . 62.02 112.323 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.435 HD11 ' HB3' ' A' ' 59' ' ' GLN . 31.4 mm . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 63.44 111.165 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.866 0.365 . . . . 71.11 110.844 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.522 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 9.1 t -49.15 123.56 7.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 65.02 110.854 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -78.47 -2.74 39.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 70.11 110.928 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.2 -20.12 11.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 74.12 110.958 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.522 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 17.5 m -111.6 -16.11 13.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 72.01 110.803 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 54.2 27.32 7.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 71.22 110.92 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -130.32 172.63 11.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 64.33 111.167 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -59.43 137.3 58.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.28 -0.418 . . . . 74.53 110.898 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -110.07 108.46 18.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 74.24 111.125 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt -64.76 -55.31 20.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 72.22 110.851 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.7 m -130.88 71.04 82.6 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.633 0.73 . . . . 71.52 110.864 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 161.54 45.55 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.711 2.274 . . . . 74.22 112.341 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.562 ' HB2' HD21 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -136.16 156.02 49.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.425 . . . . 73.44 110.899 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.566 ' O ' HD13 ' A' ' 69' ' ' LEU . 1.0 OUTLIER -96.19 93.48 6.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 43.35 110.95 179.895 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.416 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 20.0 mt -50.57 162.14 0.57 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.619 0.723 . . . . 71.05 110.914 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.416 ' HD2' ' HB3' ' A' ' 70' ' ' LEU . 53.4 Cg_endo -69.78 -7.04 20.05 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.672 2.248 . . . . 73.5 112.321 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.483 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 61.4 m -103.86 16.13 27.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.252 -0.431 . . . . 71.12 110.894 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.443 ' HA ' HD21 ' A' ' 69' ' ' LEU . 7.6 mt 68.81 25.73 6.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 73.21 110.979 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.483 ' CE1' ' HB3' ' A' ' 72' ' ' CYS . 32.0 m170 -95.13 164.4 12.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 75.22 110.831 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.9 m -123.49 106.77 10.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 74.21 111.165 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.732 HD23 ' HB3' ' A' ' 80' ' ' CYS . 3.4 mp -116.99 171.47 7.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 51.52 110.941 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 28.9 p -98.28 162.67 13.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 71.55 110.941 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.24 -57.63 7.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 53.44 110.9 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -50.71 -32.67 25.55 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.766 -0.731 . . . . 43.32 112.465 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.732 ' HB3' HD23 ' A' ' 76' ' ' LEU . 1.2 m -71.72 -33.07 68.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.927 0.394 . . . . 74.13 110.918 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.657 HD13 ' HA ' ' A' ' 86' ' ' MET . 2.4 mm? -68.09 -42.66 80.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 74.23 110.913 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -80.94 -52.14 7.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 72.53 110.938 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.18 -55.76 19.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.491 . . . . 72.44 111.098 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.493 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.2 OUTLIER -86.4 18.36 3.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 72.32 110.917 -179.783 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.46 ' O ' ' CG ' ' A' ' 86' ' ' MET . . . 33.86 62.7 0.43 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.738 -0.744 . . . . 74.04 112.472 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.657 ' HA ' HD13 ' A' ' 81' ' ' LEU . 5.4 ptp 46.19 39.39 6.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.772 0.32 . . . . 53.03 110.836 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.493 ' HB2' ' O ' ' A' ' 84' ' ' SER . 1.7 mp0 -60.58 -167.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.247 -0.433 . . . . 74.24 110.888 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -137.62 69.79 52.54 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.624 0.726 . . . . 52.14 110.858 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.677 ' HG2' HD11 ' A' ' 76' ' ' LEU . 53.8 Cg_endo -69.7 -40.82 4.96 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.772 2.315 . . . . 62.02 112.328 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 14.5 mm . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 63.44 111.133 179.903 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.411 ' HD3' ' HA ' ' A' ' 61' ' ' GLN . 7.5 tmm_? . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.828 0.347 . . . . 71.11 110.883 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.539 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 9.8 t -53.48 122.66 10.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 65.02 110.914 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -78.03 1.72 20.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 70.11 110.923 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.499 ' HB3' HD11 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -119.11 -22.51 7.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 74.12 110.894 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.539 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 7.0 m -106.87 -25.12 11.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 72.01 110.9 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.411 ' HA ' ' HD3' ' A' ' 56' ' ' ARG . 39.8 mt-30 64.58 31.65 12.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 71.22 110.919 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -137.18 178.2 7.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 64.33 111.085 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -61.86 133.49 55.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 74.53 110.903 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -108.04 115.48 30.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 74.24 111.105 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 31.3 mtmm -73.0 -73.9 0.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 72.22 110.914 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.3 t -115.28 70.93 2.97 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.612 0.72 . . . . 71.52 110.827 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 165.22 31.76 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.677 2.251 . . . . 74.22 112.342 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.445 ' HB2' HD21 ' A' ' 81' ' ' LEU . 6.4 mttt -139.61 155.81 47.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 73.44 110.909 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.8 mt -99.31 91.09 4.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.237 -0.438 . . . . 43.35 110.924 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.402 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 13.8 mt -48.56 161.46 0.4 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.64 0.733 . . . . 71.05 110.885 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.402 ' HD2' ' HB3' ' A' ' 70' ' ' LEU . 53.1 Cg_endo -69.86 -4.92 15.06 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.659 2.239 . . . . 73.5 112.339 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.6 ' C ' HD12 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -102.44 17.41 23.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 71.12 110.838 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.6 HD12 ' C ' ' A' ' 72' ' ' CYS . 2.3 mp 65.72 32.91 8.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 73.21 110.919 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.45 ' CE1' ' HB3' ' A' ' 72' ' ' CYS . 52.1 m170 -103.77 164.56 11.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 75.22 110.854 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 90.5 m -128.33 104.15 7.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 74.21 111.195 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.807 HD23 ' HB3' ' A' ' 80' ' ' CYS . 5.2 mp -116.48 171.57 7.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 51.52 110.904 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 31.5 p -94.21 166.86 11.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 71.55 110.815 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 82.3 p -52.44 -57.85 8.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 53.44 110.831 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.48 -27.09 32.72 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.801 -0.714 . . . . 43.32 112.452 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.807 ' HB3' HD23 ' A' ' 76' ' ' LEU . 0.9 OUTLIER -74.52 -39.17 62.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.927 0.394 . . . . 74.13 110.877 -179.861 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.458 HD13 ' HA ' ' A' ' 86' ' ' MET . 1.4 mm? -62.91 -41.69 99.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 74.23 110.89 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -78.81 -52.92 7.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 72.53 110.859 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.67 -54.59 37.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 72.44 111.108 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 87' ' ' GLN . 0.9 OUTLIER -81.69 11.45 4.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 72.32 110.849 -179.84 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 39.54 46.23 2.76 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.721 -0.752 . . . . 74.04 112.525 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.458 ' HA ' HD13 ' A' ' 81' ' ' LEU . 0.8 OUTLIER 64.45 34.46 10.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.697 0.284 . . . . 53.03 110.884 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -61.99 -166.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 74.24 110.859 -179.908 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -136.49 69.79 60.55 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.637 0.732 . . . . 52.14 110.847 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.767 ' HG2' HD11 ' A' ' 76' ' ' LEU . 54.6 Cg_endo -69.69 -41.94 3.92 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.702 2.268 . . . . 62.02 112.347 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.499 HD11 ' HB3' ' A' ' 59' ' ' GLN . 18.2 mm . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 63.44 111.196 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.1 tmm_? . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.855 0.359 . . . . 71.11 110.911 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.535 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 9.2 t -49.48 123.82 8.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 65.02 110.875 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.462 ' C ' HD11 ' A' ' 90' ' ' ILE . 47.2 mm-40 -78.44 -4.18 47.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 70.11 110.847 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.62 -19.81 11.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 74.12 110.845 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.535 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 20.8 m -111.7 -14.83 13.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 72.01 110.895 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 51.38 30.13 5.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 71.22 110.896 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -131.47 169.6 15.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 64.33 111.097 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -57.95 123.34 15.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 74.53 110.885 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -94.65 108.71 20.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 74.24 111.047 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.48 -60.36 3.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 72.22 110.886 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.8 m -129.04 70.38 81.57 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.612 0.72 . . . . 71.52 110.909 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 153.49 68.77 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.622 2.215 . . . . 74.22 112.337 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.436 ' HB2' HD21 ' A' ' 81' ' ' LEU . 6.1 mmmt -133.29 155.95 48.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 73.44 110.867 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 71.5 mt -83.2 157.05 22.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 43.35 110.922 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.762 HD13 ' HB2' ' A' ' 74' ' ' HIS . 0.2 OUTLIER -110.71 162.7 19.56 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.632 0.729 . . . . 71.05 110.898 179.917 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.565 ' HD2' HD23 ' A' ' 70' ' ' LEU . 53.6 Cg_endo -69.75 -8.23 23.08 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.687 2.258 . . . . 73.5 112.33 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 64.1 m -102.2 -79.5 0.52 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 71.12 110.908 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.1 pp 175.85 40.66 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 73.21 110.881 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.762 ' HB2' HD13 ' A' ' 70' ' ' LEU . 2.6 m-70 -122.32 164.06 18.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.478 . . . . 75.22 110.87 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 97.0 m -128.64 112.26 14.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 74.21 111.128 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.703 HD23 ' HB3' ' A' ' 80' ' ' CYS . 4.8 mp -109.36 171.64 7.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 51.52 110.885 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 28.9 p -95.94 163.51 13.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 71.55 110.937 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.58 -57.71 5.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 53.44 110.844 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -52.71 -31.1 37.17 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.702 -0.761 . . . . 43.32 112.471 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.703 ' HB3' HD23 ' A' ' 76' ' ' LEU . 1.2 m -73.94 -33.42 63.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.773 0.321 . . . . 74.13 110.814 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.628 HD13 ' HA ' ' A' ' 86' ' ' MET . 1.5 mm? -67.35 -41.73 84.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 74.23 110.908 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -80.92 -51.6 8.38 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.211 -0.45 . . . . 72.53 110.883 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.29 -55.95 17.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 72.44 111.08 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 85' ' ' GLY . 0.9 OUTLIER -85.06 15.02 4.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 72.32 110.808 -179.747 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.447 ' O ' ' CG ' ' A' ' 86' ' ' MET . . . 35.19 64.19 0.49 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.701 -0.762 . . . . 74.04 112.505 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.628 ' HA ' HD13 ' A' ' 81' ' ' LEU . 14.7 ptp 45.79 38.39 4.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.702 0.287 . . . . 53.03 110.913 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.705 ' O ' HD21 ' A' ' 70' ' ' LEU . 1.0 OUTLIER -60.47 -169.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 74.24 110.888 -179.893 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -137.76 67.83 50.79 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.583 0.706 . . . . 52.14 110.842 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.526 ' HG2' HD11 ' A' ' 76' ' ' LEU . 53.5 Cg_endo -69.77 -43.78 2.45 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.656 2.238 . . . . 62.02 112.322 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.462 HD11 ' C ' ' A' ' 58' ' ' GLN . 16.9 mm . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.43 . . . . 63.44 111.049 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.879 0.371 . . . . 71.11 110.847 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.521 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 9.6 t -48.96 120.55 3.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 65.02 110.89 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -76.98 0.74 20.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 70.11 110.889 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.5 -20.72 8.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.425 . . . . 74.12 110.913 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.521 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 11.5 m -110.41 -19.61 12.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 72.01 110.927 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 57.65 37.64 27.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.096 -0.502 . . . . 71.22 110.942 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -142.45 -179.99 6.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 64.33 111.059 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -66.62 130.15 42.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.271 -0.422 . . . . 74.53 110.913 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -107.67 111.3 23.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 74.24 111.113 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt -62.81 -67.77 0.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 72.22 110.832 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.3 m -118.03 71.74 8.52 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.637 0.732 . . . . 71.52 110.932 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 149.15 66.24 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.728 2.286 . . . . 74.22 112.342 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.513 ' HB2' HD21 ' A' ' 81' ' ' LEU . 25.4 mmtm -123.97 156.59 36.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 73.44 110.822 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.651 HD23 ' O ' ' A' ' 74' ' ' HIS . 1.6 mt -98.87 93.02 5.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 43.35 110.94 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.454 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 19.4 mt -47.58 163.45 0.27 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.643 0.735 . . . . 71.05 110.904 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.454 ' HD2' ' HB3' ' A' ' 70' ' ' LEU . 54.1 Cg_endo -69.75 -5.65 16.7 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.74 2.293 . . . . 73.5 112.337 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.434 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 76.6 m -104.63 14.82 29.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 71.12 110.944 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.4 mt 68.22 32.87 4.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 73.21 110.892 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.651 ' O ' HD23 ' A' ' 69' ' ' LEU . 37.7 m170 -99.72 165.49 11.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 75.22 110.861 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 51.1 m -122.57 104.82 9.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 74.21 111.177 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.762 HD23 ' HB3' ' A' ' 80' ' ' CYS . 3.7 mp -117.8 171.74 7.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 51.52 110.853 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 28.9 p -98.92 164.61 12.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 71.55 110.899 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 78.5 p -52.3 -56.85 12.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 53.44 110.862 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -52.09 -30.28 30.56 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.73 -0.748 . . . . 43.32 112.55 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.762 ' HB3' HD23 ' A' ' 76' ' ' LEU . 1.1 m -72.6 -33.54 66.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.87 0.366 . . . . 74.13 110.872 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.613 HD13 ' HA ' ' A' ' 86' ' ' MET . 3.5 mm? -68.39 -42.76 78.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.1 -0.5 . . . . 74.23 110.894 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -78.67 -49.44 13.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 72.53 110.853 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.32 -54.33 30.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 72.44 111.138 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.536 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.8 OUTLIER -83.81 14.99 3.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 72.32 110.869 -179.861 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 37.97 47.64 1.9 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.731 -0.747 . . . . 74.04 112.523 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.613 ' HA ' HD13 ' A' ' 81' ' ' LEU . 17.5 mtt 65.34 35.35 7.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.742 0.306 . . . . 53.03 110.917 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.536 ' HB2' ' O ' ' A' ' 84' ' ' SER . 0.5 OUTLIER -61.12 -166.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 74.24 110.928 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -141.93 71.31 23.94 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.658 0.742 . . . . 52.14 110.865 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.723 ' HG2' HD11 ' A' ' 76' ' ' LEU . 53.6 Cg_endo -69.81 -42.53 3.27 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.685 2.256 . . . . 62.02 112.347 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 22.6 mm . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 63.44 111.169 179.873 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.791 0.329 . . . . 74.54 110.949 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -117.26 159.87 22.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 73.31 110.927 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -60.11 -24.09 64.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 71.44 110.888 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 21.4 p90 -124.74 138.95 54.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 64.25 110.863 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.638 ' HB2' HD22 ' A' ' 104' ' ' LEU . 10.4 pt20 -107.08 66.51 0.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 62.23 110.939 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -139.57 163.96 31.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 75.03 110.892 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.687 HD11 ' C ' ' A' ' 102' ' ' PRO . 46.5 mt -93.28 -178.69 4.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.16 -0.473 . . . . 74.24 110.957 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.1 tmm_? -153.1 116.17 4.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 71.11 110.869 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.546 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 8.4 t -49.73 121.71 5.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 65.02 110.879 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -77.29 1.44 18.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.472 . . . . 70.11 110.937 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.495 ' HB3' HD11 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -118.8 -23.6 6.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 74.12 110.909 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.546 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 9.6 m -106.04 -24.46 12.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 72.01 110.911 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 63.25 35.99 12.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 71.22 110.89 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -141.44 179.62 6.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 64.33 111.141 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -64.91 131.3 46.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 74.53 110.9 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.54 110.47 22.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 74.24 111.087 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 38.7 mtmt -63.17 -53.0 60.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 72.22 110.912 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.6 m -136.66 69.97 59.33 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.658 0.742 . . . . 71.52 110.897 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.461 ' HG2' HD12 ' A' ' 55' ' ' LEU . 53.7 Cg_endo -69.73 153.68 68.78 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.692 2.261 . . . . 74.22 112.317 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.509 ' HG3' HD22 ' A' ' 81' ' ' LEU . 26.3 mmtt -138.98 156.56 47.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 73.44 110.924 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.438 HD11 ' HA ' ' A' ' 101' ' ' THR . 32.5 mt -90.42 97.22 11.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 43.35 110.902 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.607 HD11 HD22 ' A' ' 76' ' ' LEU . 20.2 mt -47.87 161.38 0.36 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.602 0.715 . . . . 71.05 110.936 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.83 -6.96 19.88 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.689 2.259 . . . . 73.5 112.298 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.19 15.85 28.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 71.12 110.885 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.61 ' HB2' HD23 ' A' ' 97' ' ' LEU . 12.9 mt 67.63 43.72 1.8 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 73.21 110.936 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -120.49 163.99 17.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 75.22 110.886 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.7 m -117.02 114.07 23.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 74.21 111.173 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.776 HD23 ' HB3' ' A' ' 80' ' ' CYS . 4.2 mp -126.75 172.29 10.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 51.52 110.945 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 30.7 p -98.74 162.45 13.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 71.55 110.85 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.45 -56.33 11.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 53.44 110.869 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.25 -28.09 41.62 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.711 -0.757 . . . . 43.32 112.471 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.776 ' HB3' HD23 ' A' ' 76' ' ' LEU . 0.8 OUTLIER -71.78 -35.11 69.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.865 0.364 . . . . 74.13 110.866 -179.915 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.509 HD22 ' HG3' ' A' ' 68' ' ' LYS . 1.1 mp -70.02 -40.31 75.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 74.23 110.905 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -78.54 -47.51 17.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 72.53 110.922 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.26 -54.63 11.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 72.44 111.076 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.423 ' CB ' ' HB2' ' A' ' 87' ' ' GLN . 0.1 OUTLIER -83.58 13.52 4.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 72.32 110.838 -179.744 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 40.02 46.36 3.19 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.738 -0.744 . . . . 74.04 112.504 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 5.2 mtp 63.43 36.18 11.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.709 0.29 . . . . 53.03 110.851 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.423 ' HB2' ' CB ' ' A' ' 84' ' ' SER . 0.5 OUTLIER -61.78 -167.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 74.24 110.895 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -137.58 70.7 52.41 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.648 0.737 . . . . 52.14 110.921 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.625 ' HG2' HD11 ' A' ' 76' ' ' LEU . 53.7 Cg_endo -69.75 -40.66 5.07 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.622 2.215 . . . . 62.02 112.352 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.495 HD11 ' HB3' ' A' ' 59' ' ' GLN . 18.9 mm -63.33 -15.36 15.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 63.44 111.14 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' CYS . . . . . 0.836 ' SG ' 'ZN ' ' A' ' 202' ' ' ' ZN' . 0.1 OUTLIER -73.56 -5.46 40.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 73.44 110.865 179.93 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -57.35 -33.61 67.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 75.44 110.903 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -138.94 146.8 51.36 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.581 0.705 . . . . 72.13 111.104 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 70.55 1.59 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.711 2.274 . . . . 65.42 112.319 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 1.8 p-90 -71.43 155.43 92.74 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.515 0.674 . . . . 72.32 110.941 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 115.89 4.3 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.711 2.274 . . . . 74.21 112.339 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.61 HD23 ' HB2' ' A' ' 73' ' ' LEU . 4.8 mp -83.8 -173.15 4.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 75.41 110.92 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 108.58 -23.28 24.7 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 45.1 112.488 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -121.28 102.51 8.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.738 0.304 . . . . 52.12 111.1 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.404 ' HB2' HD22 ' A' ' 69' ' ' LEU . 0.4 OUTLIER -156.5 101.9 2.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 73.42 110.825 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.534 HG22 ' HD2' ' A' ' 102' ' ' PRO . 0.0 OUTLIER -141.1 157.32 67.13 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.524 0.678 . . . . 71.21 111.176 -179.905 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.687 ' C ' HD11 ' A' ' 55' ' ' LEU . 53.8 Cg_endo -69.78 -178.44 2.35 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.697 2.265 . . . . 62.43 112.375 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -90.18 151.93 21.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 73.33 111.119 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.638 HD22 ' HB2' ' A' ' 53' ' ' GLN . 7.1 mp . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 74.14 110.931 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . 0.836 'ZN ' ' SG ' ' A' ' 91' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.894 0.378 . . . . 74.54 110.798 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -108.34 161.19 15.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 73.31 110.896 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -151.25 133.0 14.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 71.44 110.883 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 31.6 p90 -80.13 150.96 30.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 64.25 110.911 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.0 pm0 -105.55 67.98 0.78 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 62.23 110.923 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -142.64 155.76 44.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 75.03 110.9 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.475 HD11 ' N ' ' A' ' 103' ' ' ALA . 9.2 mt -110.2 -169.36 1.45 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 74.24 110.957 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.9 tmm_? -150.29 117.53 6.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 71.11 110.903 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.517 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 9.2 t -50.44 120.32 4.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 65.02 110.834 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -76.76 0.99 18.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 70.11 110.878 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.88 -20.93 8.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 74.12 110.841 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.517 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 14.9 m -110.65 -17.74 13.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 72.01 110.826 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 55.85 37.12 28.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 71.22 110.902 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -141.76 178.96 7.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 64.33 111.13 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -66.88 129.55 40.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 74.53 110.867 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -106.08 112.04 24.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 74.24 111.052 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.6 mtmm -64.24 -63.9 1.02 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 72.22 110.873 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.5 m -120.23 71.21 16.76 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.59 0.709 . . . . 71.52 110.856 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.47 ' CG ' HD12 ' A' ' 55' ' ' LEU . 53.9 Cg_endo -69.74 150.67 68.63 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.695 2.263 . . . . 74.22 112.376 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.453 ' HB2' HD21 ' A' ' 81' ' ' LEU . 4.6 mtpt -126.17 156.36 40.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 73.44 110.931 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.509 HD12 ' HD3' ' A' ' 102' ' ' PRO . 5.5 mt -97.29 94.64 7.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 43.35 110.96 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.419 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 19.9 mt -49.13 162.44 0.39 Allowed Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.599 0.714 . . . . 71.05 110.89 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.419 ' HD2' ' HB3' ' A' ' 70' ' ' LEU . 53.6 Cg_endo -69.79 -6.91 19.73 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.671 2.247 . . . . 73.5 112.307 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 69.6 m -103.73 14.62 30.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 71.12 110.86 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.698 HD12 ' CD2' ' A' ' 97' ' ' LEU . 7.1 mt 68.42 34.23 3.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 73.21 110.942 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.403 ' O ' HD23 ' A' ' 69' ' ' LEU . 4.8 m-70 -102.27 165.05 11.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 75.22 110.929 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 56.4 m -119.74 107.77 13.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.281 -0.418 . . . . 74.21 111.127 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.746 HD23 ' HB3' ' A' ' 80' ' ' CYS . 2.8 mp -120.35 171.58 8.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 51.52 110.927 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 30.0 p -99.7 162.43 13.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 71.55 110.862 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -51.67 -55.54 18.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 53.44 110.858 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -52.67 -29.16 32.13 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.766 -0.731 . . . . 43.32 112.522 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.746 ' HB3' HD23 ' A' ' 76' ' ' LEU . 1.1 m -73.82 -33.5 64.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.91 0.386 . . . . 74.13 110.896 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.475 HD13 ' HA ' ' A' ' 86' ' ' MET . 1.6 mm? -67.21 -43.44 82.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 74.23 110.896 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -78.49 -49.64 13.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 72.53 110.901 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.47 -54.34 34.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 72.44 111.154 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.522 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.8 OUTLIER -83.88 13.47 4.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 72.32 110.816 -179.806 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 39.1 46.87 2.51 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.762 -0.733 . . . . 74.04 112.534 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.475 ' HA ' HD13 ' A' ' 81' ' ' LEU . 1.6 mtt 66.31 35.8 5.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.69 0.281 . . . . 53.03 110.849 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.522 ' HB2' ' O ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -62.56 -166.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 74.24 110.916 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.34 71.95 21.73 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.651 0.738 . . . . 52.14 110.936 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.712 ' HG2' HD11 ' A' ' 76' ' ' LEU . 53.4 Cg_endo -69.81 -42.29 3.48 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.704 2.269 . . . . 62.02 112.305 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.1 mm -63.61 -16.14 17.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 63.44 111.175 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' CYS . . . . . 0.832 ' SG ' 'ZN ' ' A' ' 202' ' ' ' ZN' . 0.1 OUTLIER -71.92 -8.02 51.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 73.44 110.85 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -65.1 -39.64 93.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 75.44 110.918 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -128.7 140.07 37.43 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.587 0.708 . . . . 72.13 111.07 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 62.32 1.75 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.717 2.278 . . . . 65.42 112.338 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.403 ' HB2' ' HD2' ' A' ' 96' ' ' PRO . 1.3 p-90 -60.52 157.41 36.62 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.514 0.673 . . . . 72.32 110.885 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.403 ' HD2' ' HB2' ' A' ' 95' ' ' TRP . 54.7 Cg_endo -69.75 113.95 3.54 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.734 2.289 . . . . 74.21 112.325 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.698 ' CD2' HD12 ' A' ' 73' ' ' LEU . 2.7 mp -63.46 140.64 58.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 75.41 110.898 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -127.12 -22.37 1.56 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.71 -0.757 . . . . 45.1 112.484 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 65.28 37.27 6.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.826 0.346 . . . . 52.12 111.129 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -77.26 115.55 17.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 73.42 110.882 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -56.87 159.68 6.96 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.548 0.689 . . . . 71.21 111.141 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.509 ' HD3' HD12 ' A' ' 69' ' ' LEU . 53.9 Cg_endo -69.74 168.61 21.02 Favored 'Trans proline' 0 C--O 1.23 0.124 0 C-N-CA 122.75 2.3 . . . . 62.43 112.35 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.475 ' N ' HD11 ' A' ' 55' ' ' LEU . . . -81.2 151.9 27.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 73.33 111.075 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 74.14 110.984 179.959 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . 0.832 'ZN ' ' SG ' ' A' ' 91' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.82 0.343 . . . . 74.54 110.892 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -74.11 104.65 5.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 73.31 110.837 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -61.14 -172.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 71.44 110.91 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -120.24 139.71 52.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 64.25 110.891 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -88.72 127.1 35.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.124 -0.489 . . . . 62.23 110.888 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -162.99 171.19 16.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 75.03 110.868 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.742 HD11 ' C ' ' A' ' 102' ' ' PRO . 9.6 mt -80.43 -178.01 6.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 74.24 110.924 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.9 tmm_? -143.85 117.82 9.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 71.11 110.88 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.527 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 9.6 t -50.81 120.35 4.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 65.02 110.903 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -76.89 1.21 18.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.138 -0.483 . . . . 70.11 110.921 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.486 ' HB3' HD11 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -117.74 -20.68 8.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.443 . . . . 74.12 110.938 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.527 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 8.1 m -110.11 -21.49 12.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 72.01 110.853 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 60.04 36.31 21.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 71.22 110.965 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -142.14 178.96 7.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 64.33 111.138 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -65.06 131.28 46.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.316 -0.402 . . . . 74.53 110.882 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -108.44 111.75 23.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 74.24 111.091 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -64.3 -66.32 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 72.22 110.964 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.3 m -117.54 70.47 6.58 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.616 0.722 . . . . 71.52 110.944 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.647 ' CG ' HD12 ' A' ' 55' ' ' LEU . 54.2 Cg_endo -69.68 148.57 65.86 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.691 2.26 . . . . 74.22 112.349 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.548 ' HB2' HD21 ' A' ' 81' ' ' LEU . 33.6 mmtp -122.61 156.09 34.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 73.44 110.838 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 49.0 mt -99.87 92.6 5.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 43.35 110.909 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.408 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 20.1 mt -49.09 161.61 0.43 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.56 0.695 . . . . 71.05 110.916 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.408 ' HD2' ' HB3' ' A' ' 70' ' ' LEU . 53.7 Cg_endo -69.78 -6.81 19.49 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.725 2.283 . . . . 73.5 112.354 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.523 ' O ' HD12 ' A' ' 73' ' ' LEU . 98.9 m -101.7 13.43 34.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 71.12 110.846 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.851 HD22 HD13 ' A' ' 97' ' ' LEU . 0.5 OUTLIER 69.6 32.28 3.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 73.21 110.939 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -100.84 164.53 11.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.198 -0.455 . . . . 75.22 110.844 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.1 m -122.49 105.46 10.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 74.21 111.185 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.714 HD23 ' HB3' ' A' ' 80' ' ' CYS . 2.8 mp -116.57 171.67 7.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 51.52 110.913 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 29.5 p -100.69 158.77 15.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 71.55 110.912 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.94 -54.3 16.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 53.44 110.844 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.27 -30.31 39.61 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.766 -0.731 . . . . 43.32 112.467 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.714 ' HB3' HD23 ' A' ' 76' ' ' LEU . 1.1 m -74.15 -32.9 63.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.897 0.379 . . . . 74.13 110.887 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.586 HD13 ' HA ' ' A' ' 86' ' ' MET . 3.4 mm? -67.26 -43.22 82.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 74.23 110.888 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -78.67 -46.45 19.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 72.53 110.939 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.34 -53.88 25.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 72.44 111.067 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.47 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.1 OUTLIER -83.69 13.75 4.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 72.32 110.841 -179.779 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 40.02 46.57 3.23 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.769 -0.729 . . . . 74.04 112.443 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.586 ' HA ' HD13 ' A' ' 81' ' ' LEU . 14.5 mtm 64.9 36.42 7.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.691 0.281 . . . . 53.03 110.875 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.47 ' HB2' ' O ' ' A' ' 84' ' ' SER . 0.9 OUTLIER -63.7 -165.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 74.24 110.897 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -143.71 71.63 17.25 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.61 0.719 . . . . 52.14 110.834 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.598 ' HG2' HD11 ' A' ' 76' ' ' LEU . 53.3 Cg_endo -69.84 -41.39 4.22 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.597 2.198 . . . . 62.02 112.369 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.486 HD11 ' HB3' ' A' ' 59' ' ' GLN . 17.8 mm -66.46 -20.09 26.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.438 . . . . 63.44 111.099 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.29 -22.96 13.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 73.44 110.89 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 82.6 mm-40 -82.58 -32.08 28.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 75.44 110.85 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.445 ' HA ' ' HD2' ' A' ' 94' ' ' PRO . . . -102.77 101.61 21.81 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.555 0.693 . . . . 72.13 111.082 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.445 ' HD2' ' HA ' ' A' ' 93' ' ' ALA . 53.7 Cg_endo -69.77 73.28 1.39 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.603 2.202 . . . . 65.42 112.381 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.411 ' HB2' ' HD2' ' A' ' 96' ' ' PRO . 0.2 OUTLIER -89.16 157.45 47.99 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.58 0.705 . . . . 72.32 110.903 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.411 ' HD2' ' HB2' ' A' ' 95' ' ' TRP . 53.8 Cg_endo -69.79 115.34 4.05 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.665 2.243 . . . . 74.21 112.348 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.851 HD13 HD22 ' A' ' 73' ' ' LEU . 0.9 OUTLIER -92.45 43.38 1.13 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 75.41 110.906 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -50.25 -73.8 0.34 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.779 -0.724 . . . . 45.1 112.46 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -103.65 99.49 9.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.707 0.289 . . . . 52.12 111.19 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -111.02 100.86 9.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.265 -0.425 . . . . 73.42 110.893 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.528 HG22 ' HD2' ' A' ' 102' ' ' PRO . 0.0 OUTLIER -142.27 158.26 61.48 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.565 0.697 . . . . 71.21 111.172 -179.892 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.742 ' C ' HD11 ' A' ' 55' ' ' LEU . 53.7 Cg_endo -69.81 -174.43 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.692 2.261 . . . . 62.43 112.281 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.538 ' N ' HD11 ' A' ' 55' ' ' LEU . . . -89.05 151.78 22.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 73.33 111.087 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 8.2 mp . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 74.14 110.9 -179.944 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.9 mp0 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.831 0.348 . . . . 74.54 110.885 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -133.63 124.57 27.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 73.31 110.892 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -148.84 -175.02 4.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.488 . . . . 71.44 110.91 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -107.11 118.94 38.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 64.25 110.924 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -53.23 109.01 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 62.23 110.925 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -151.58 166.61 30.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 75.03 110.882 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.569 HD11 ' N ' ' A' ' 103' ' ' ALA . 6.1 mt -123.44 -168.17 1.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 74.24 110.905 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.0 tmm_? -145.03 117.85 8.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 71.11 110.849 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.548 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 8.8 t -51.51 122.22 7.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 65.02 110.882 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -77.48 1.23 19.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 70.11 110.942 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.408 ' HB3' HD11 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -118.76 -21.27 7.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.455 . . . . 74.12 110.915 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.548 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 8.8 m -108.92 -24.1 11.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 72.01 110.917 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 63.19 36.62 11.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 71.22 110.926 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -141.97 178.05 7.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 64.33 111.092 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -64.32 130.58 44.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 74.53 110.958 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.54 108.42 19.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 74.24 111.125 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.4 mtmm -63.82 -60.72 2.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 72.22 110.94 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.6 m -125.46 70.9 64.55 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.57 0.7 . . . . 71.52 110.864 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.452 ' HG3' HD12 ' A' ' 55' ' ' LEU . 53.7 Cg_endo -69.7 151.68 69.48 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.678 2.252 . . . . 74.22 112.334 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.534 ' HB2' HD21 ' A' ' 81' ' ' LEU . 6.2 mmtt -126.89 156.45 41.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 73.44 110.95 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.774 HD13 ' HB3' ' A' ' 102' ' ' PRO . 1.5 mp -95.21 93.78 7.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 43.35 110.858 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.452 HD12 ' HB2' ' A' ' 74' ' ' HIS . 19.8 mt -48.36 161.66 0.38 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.682 0.753 . . . . 71.05 110.888 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -7.47 21.12 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.693 2.262 . . . . 73.5 112.347 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.404 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 67.8 m -103.97 15.64 28.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 71.12 110.935 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.732 HD12 HD22 ' A' ' 97' ' ' LEU . 8.9 mt 69.31 26.53 5.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.071 -0.513 . . . . 73.21 110.916 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.452 ' HB2' HD12 ' A' ' 70' ' ' LEU . 4.3 m-70 -96.28 164.79 12.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.265 -0.425 . . . . 75.22 110.871 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 24.0 m -120.6 111.0 17.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 74.21 111.131 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.742 HD23 ' HB3' ' A' ' 80' ' ' CYS . 2.8 mp -122.38 171.95 8.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 51.52 110.89 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 31.1 p -99.06 160.64 14.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 71.55 110.889 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.59 -54.79 19.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 53.44 110.838 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.09 -29.18 35.32 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.826 -0.702 . . . . 43.32 112.49 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.742 ' HB3' HD23 ' A' ' 76' ' ' LEU . 1.1 m -74.77 -33.96 62.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.856 0.36 . . . . 74.13 110.835 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.585 HD12 ' HG2' ' A' ' 86' ' ' MET . 2.9 mm? -66.68 -42.41 86.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 74.23 110.961 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -79.3 -49.66 12.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 72.53 110.901 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.39 -53.82 42.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 72.44 111.075 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.518 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.8 OUTLIER -83.32 13.2 4.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 72.32 110.815 -179.734 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 39.52 46.17 2.74 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.763 -0.732 . . . . 74.04 112.481 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.585 ' HG2' HD12 ' A' ' 81' ' ' LEU . 5.0 mtp 67.09 36.28 4.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.693 0.282 . . . . 53.03 110.865 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.518 ' HB2' ' O ' ' A' ' 84' ' ' SER . 0.6 OUTLIER -63.46 -166.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 74.24 110.893 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -142.95 71.87 18.79 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.642 0.734 . . . . 52.14 110.906 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.732 ' HG2' HD11 ' A' ' 76' ' ' LEU . 53.6 Cg_endo -69.84 -41.84 3.83 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.639 2.226 . . . . 62.02 112.335 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.408 HD11 ' HB3' ' A' ' 59' ' ' GLN . 18.5 mm -64.54 -14.9 16.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 63.44 111.159 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' CYS . . . . . 0.814 ' SG ' 'ZN ' ' A' ' 202' ' ' ' ZN' . 0.0 OUTLIER -71.99 -6.97 45.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.473 . . . . 73.44 110.847 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -57.05 -36.19 70.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 75.44 110.96 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -138.6 143.65 38.96 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.596 0.712 . . . . 72.13 111.125 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 72.31 1.44 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.732 2.288 . . . . 65.42 112.363 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 1.6 p-90 -74.42 157.61 86.16 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.506 0.669 . . . . 72.32 110.944 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 115.39 4.06 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.702 2.268 . . . . 74.21 112.346 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.732 HD22 HD12 ' A' ' 73' ' ' LEU . 3.4 pp -96.94 -173.23 2.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.26 -0.427 . . . . 75.41 110.98 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 104.94 16.84 15.67 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 45.1 112.525 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -121.22 45.85 2.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.808 0.337 . . . . 52.12 111.147 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -62.07 94.21 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 73.42 110.85 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.1 72.3 18.33 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.487 0.66 . . . . 71.21 111.097 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.774 ' HB3' HD13 ' A' ' 69' ' ' LEU . 53.7 Cg_endo -69.75 155.32 66.27 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.687 2.258 . . . . 62.43 112.366 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.569 ' N ' HD11 ' A' ' 55' ' ' LEU . . . -75.67 151.77 37.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.312 -0.404 . . . . 73.33 111.097 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 6.3 mp . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 74.14 110.942 -179.943 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . 0.814 'ZN ' ' SG ' ' A' ' 91' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.818 0.342 . . . . 74.54 110.893 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -105.49 174.15 6.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 73.31 110.924 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -151.71 178.95 8.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 71.44 110.92 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.5 p90 -117.72 169.6 9.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 64.25 110.908 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 -100.89 66.9 1.19 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 62.23 110.882 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -148.02 162.91 38.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 75.03 110.83 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.563 HD11 ' C ' ' A' ' 102' ' ' PRO . 8.9 mt -112.86 -169.05 1.41 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.086 -0.506 . . . . 74.24 110.928 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -151.55 117.66 5.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 71.11 110.889 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.521 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 10.2 t -50.5 119.11 3.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 65.02 110.839 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -76.33 1.73 15.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 70.11 110.983 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.423 ' HB3' HD11 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -117.81 -20.97 8.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 74.12 110.949 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.521 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 8.7 m -109.63 -24.07 11.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 72.01 110.853 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 63.06 37.81 11.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 71.22 110.838 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -144.34 179.27 7.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.292 -0.413 . . . . 64.33 111.091 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -66.84 128.98 38.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 74.53 110.921 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -105.93 112.77 25.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 74.24 111.152 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.86 -66.47 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 72.22 110.939 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.5 m -117.36 71.08 6.38 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.624 0.726 . . . . 71.52 110.893 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.463 ' CG ' HD12 ' A' ' 55' ' ' LEU . 54.1 Cg_endo -69.69 147.8 64.13 Favored 'Trans proline' 0 N--CA 1.465 -0.196 0 C-N-CA 122.742 2.295 . . . . 74.22 112.404 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.452 ' HB2' HD21 ' A' ' 81' ' ' LEU . 21.0 mmtm -123.59 156.25 36.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 73.44 110.876 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.498 HD23 ' HD3' ' A' ' 102' ' ' PRO . 1.9 mm? -97.51 95.87 7.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 43.35 110.907 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.413 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 19.9 mt -49.09 162.45 0.39 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.648 0.737 . . . . 71.05 110.919 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.413 ' HD2' ' HB3' ' A' ' 70' ' ' LEU . 53.8 Cg_endo -69.73 -6.28 18.2 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.697 2.264 . . . . 73.5 112.329 179.796 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 86.5 m -104.34 12.68 33.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 71.12 110.851 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.822 HD12 HD13 ' A' ' 97' ' ' LEU . 6.5 mt 70.34 34.52 2.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 73.21 110.869 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.424 ' O ' HD13 ' A' ' 69' ' ' LEU . 4.5 m-70 -102.55 164.7 11.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 75.22 110.894 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.0 m -118.53 110.16 17.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 74.21 111.159 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.729 HD23 ' HB3' ' A' ' 80' ' ' CYS . 2.6 mp -122.84 171.19 9.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.256 -0.429 . . . . 51.52 110.901 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 30.0 p -99.95 160.78 14.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 71.55 110.829 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.76 -54.9 19.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 53.44 110.853 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.1 -29.4 35.96 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.756 -0.735 . . . . 43.32 112.506 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.729 ' HB3' HD23 ' A' ' 76' ' ' LEU . 1.0 OUTLIER -73.71 -34.03 64.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.91 0.386 . . . . 74.13 110.835 -179.843 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.517 HD13 ' HA ' ' A' ' 86' ' ' MET . 1.4 mm? -66.29 -43.69 85.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 74.23 110.916 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -77.68 -48.34 16.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 72.53 110.804 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.51 -54.26 30.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 72.44 111.07 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.511 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.9 OUTLIER -83.06 12.55 4.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 72.32 110.845 -179.775 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 39.62 45.59 2.72 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.762 -0.733 . . . . 74.04 112.536 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.517 ' HA ' HD13 ' A' ' 81' ' ' LEU . 1.3 mtm 67.94 36.04 3.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.784 0.326 . . . . 53.03 110.877 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.511 ' HB2' ' O ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -63.85 -165.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.268 -0.423 . . . . 74.24 110.928 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -143.11 72.01 18.34 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.657 0.741 . . . . 52.14 110.92 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.72 ' HG2' HD11 ' A' ' 76' ' ' LEU . 53.9 Cg_endo -69.8 -42.37 3.42 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.625 2.216 . . . . 62.02 112.342 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.423 HD11 ' HB3' ' A' ' 59' ' ' GLN . 18.5 mm -64.06 -15.54 17.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 63.44 111.188 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' CYS . . . . . 0.811 ' SG ' 'ZN ' ' A' ' 202' ' ' ' ZN' . 0.0 OUTLIER -70.36 -9.23 55.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 73.44 110.87 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 38.1 mm-40 -57.59 -37.49 73.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 75.44 110.921 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -139.36 145.02 42.47 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.54 0.686 . . . . 72.13 111.126 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 64.28 1.77 Allowed 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.743 2.295 . . . . 65.42 112.329 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -65.38 157.25 78.81 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-O 121.538 0.685 . . . . 72.32 110.894 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 117.43 5.08 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.663 2.242 . . . . 74.21 112.351 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.822 HD13 HD12 ' A' ' 73' ' ' LEU . 0.3 OUTLIER -104.47 -176.03 2.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 75.41 110.884 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -177.84 27.57 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.72 -0.752 . . . . 45.1 112.458 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 54.08 36.3 24.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.833 0.349 . . . . 52.12 111.094 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -62.53 113.4 2.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 73.42 110.853 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -60.1 159.7 20.13 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.586 0.708 . . . . 71.21 111.145 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.563 ' C ' HD11 ' A' ' 55' ' ' LEU . 53.5 Cg_endo -69.84 -170.67 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.632 2.222 . . . . 62.43 112.289 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.536 ' N ' HD11 ' A' ' 55' ' ' LEU . . . -91.98 151.82 20.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 73.33 111.086 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 8.2 mp . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.223 -0.444 . . . . 74.14 110.877 -179.936 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . 0.811 'ZN ' ' SG ' ' A' ' 91' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.77 0.319 . . . . 74.54 110.869 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -114.93 172.82 6.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 73.31 110.907 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -94.0 -175.8 3.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 71.44 110.93 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -126.1 105.29 8.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 64.25 110.872 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.551 ' O ' ' HB1' ' A' ' 103' ' ' ALA . 1.5 pm0 -108.08 66.47 0.65 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.176 -0.466 . . . . 62.23 110.9 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -147.88 137.66 22.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 75.03 110.947 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.624 HD12 ' N ' ' A' ' 56' ' ' ARG . 2.0 pp -129.18 171.0 12.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.466 . . . . 74.24 110.935 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.624 ' N ' HD12 ' A' ' 55' ' ' LEU . 3.9 tmm_? -107.88 120.64 42.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 71.11 110.851 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.541 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 9.2 t -52.86 122.91 10.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 65.02 110.854 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -77.4 1.58 18.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 70.11 110.916 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.511 ' HB3' HD11 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -119.58 -22.49 6.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 74.12 110.873 -179.917 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.541 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 10.3 m -108.06 -24.04 11.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 72.01 110.889 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 63.9 34.91 11.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 71.22 110.919 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -140.95 178.9 7.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 64.33 111.096 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -63.59 131.35 47.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 74.53 110.925 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -107.13 107.2 18.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 74.24 111.074 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.7 mtmt -61.97 -70.99 0.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 72.22 110.915 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.6 m -116.5 71.56 4.92 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.537 0.684 . . . . 71.52 110.869 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.596 ' HB2' HD21 ' A' ' 55' ' ' LEU . 54.8 Cg_endo -69.74 163.92 36.45 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.657 2.238 . . . . 74.22 112.408 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.454 ' HB2' HD21 ' A' ' 81' ' ' LEU . 1.2 mmmp? -138.41 156.06 47.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.289 -0.414 . . . . 73.44 110.954 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.781 HD11 ' HB2' ' A' ' 100' ' ' ASP . 0.9 OUTLIER -95.9 95.62 8.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.275 -0.421 . . . . 43.35 110.922 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.415 HD12 ' HB2' ' A' ' 74' ' ' HIS . 19.8 mt -50.45 161.86 0.58 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.541 0.686 . . . . 71.05 110.955 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.401 ' HD2' ' HB3' ' A' ' 70' ' ' LEU . 54.3 Cg_endo -69.73 -7.38 20.91 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.647 2.231 . . . . 73.5 112.36 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 68.2 m -102.98 15.26 29.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 71.12 110.899 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.976 HD12 HD13 ' A' ' 97' ' ' LEU . 6.3 mt 71.58 21.36 4.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 73.21 110.911 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.415 ' HB2' HD12 ' A' ' 70' ' ' LEU . 4.3 m-70 -92.9 165.02 13.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 75.22 110.872 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -125.25 112.14 16.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 74.21 111.129 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.81 HD23 ' HB3' ' A' ' 80' ' ' CYS . 4.0 mp -120.33 171.75 8.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 51.52 110.891 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.847 ' HG ' 'ZN ' ' A' ' 201' ' ' ' ZN' . 30.1 p -96.83 166.64 11.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 71.55 110.847 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 63.5 p -53.9 -56.8 14.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 53.44 110.821 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -52.83 -27.74 29.55 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.688 -0.767 . . . . 43.32 112.517 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.81 ' HB3' HD23 ' A' ' 76' ' ' LEU . 1.1 m -74.4 -35.49 63.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.844 0.354 . . . . 74.13 110.862 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.505 HD13 ' HA ' ' A' ' 86' ' ' MET . 1.8 mm? -66.22 -42.73 88.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 74.23 110.855 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -78.25 -52.17 9.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 72.53 110.882 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.37 -54.37 41.34 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.159 -0.473 . . . . 72.44 111.12 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.524 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.1 OUTLIER -83.98 12.09 6.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 72.32 110.83 -179.792 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 38.86 47.24 2.39 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.724 -0.751 . . . . 74.04 112.531 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.505 ' HA ' HD13 ' A' ' 81' ' ' LEU . 1.6 mtm 66.54 35.86 5.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.675 0.274 . . . . 53.03 110.902 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.524 ' HB2' ' O ' ' A' ' 84' ' ' SER . 0.6 OUTLIER -63.12 -165.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 74.24 110.847 -179.886 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -141.24 71.93 27.04 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.645 0.736 . . . . 52.14 110.93 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.681 ' HG2' HD11 ' A' ' 76' ' ' LEU . 53.6 Cg_endo -69.79 -41.37 4.29 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.673 2.249 . . . . 62.02 112.31 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.511 HD11 ' HB3' ' A' ' 59' ' ' GLN . 16.3 mm -65.02 -15.0 17.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 63.44 111.107 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' CYS . . . . . 0.756 ' SG ' 'ZN ' ' A' ' 202' ' ' ' ZN' . 0.1 OUTLIER -74.67 -5.25 42.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 73.44 110.84 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -57.49 -33.59 68.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 75.44 110.939 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -138.76 149.0 60.52 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.633 0.73 . . . . 72.13 111.117 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 64.96 1.78 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.699 2.266 . . . . 65.42 112.369 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -68.18 158.35 84.52 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.544 0.688 . . . . 72.32 110.879 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 134.5 28.02 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.679 2.253 . . . . 74.21 112.342 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.976 HD13 HD12 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -121.69 -173.61 2.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 75.41 110.97 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 108.74 5.57 31.26 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.746 -0.74 . . . . 45.1 112.448 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -155.03 92.43 1.44 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.814 0.34 . . . . 52.12 111.138 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.781 ' HB2' HD11 ' A' ' 69' ' ' LEU . 9.1 m-20 -121.21 100.03 6.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 73.42 110.812 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -110.61 83.03 3.14 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.566 0.698 . . . . 71.21 111.133 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 159.03 54.97 Favored 'Trans proline' 0 N--CA 1.466 -0.127 0 C-N-CA 122.721 2.281 . . . . 62.43 112.393 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.551 ' HB1' ' O ' ' A' ' 53' ' ' GLN . . . -91.36 152.0 20.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.227 -0.442 . . . . 73.33 111.078 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 74.14 110.904 -179.975 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . 0.847 'ZN ' ' HG ' ' A' ' 77' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . 0.756 'ZN ' ' SG ' ' A' ' 91' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 . . . . . 0 CA--C 1.526 0.048 0 CA-C-O 120.825 0.345 . . . . 74.54 110.866 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -107.46 156.93 18.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 73.31 110.882 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -115.2 124.75 52.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 71.44 110.883 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -58.74 138.7 56.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 64.25 110.942 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -116.86 68.09 0.74 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 62.23 110.938 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -139.97 137.5 34.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 75.03 110.853 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.663 HD11 ' N ' ' A' ' 103' ' ' ALA . 9.1 mt -97.36 -168.62 1.72 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 74.24 110.834 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.3 tmm_? -153.18 117.28 4.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 71.11 110.903 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.541 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 9.1 t -49.67 121.57 5.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 65.02 110.828 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -77.43 0.88 20.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 70.11 110.89 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.461 ' HB3' HD11 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -117.61 -21.71 8.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 74.12 110.878 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.541 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 7.3 m -108.39 -24.47 11.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 72.01 110.812 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 63.44 35.15 12.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.226 -0.443 . . . . 71.22 110.843 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -141.24 178.42 7.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 64.33 111.131 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -63.26 133.46 54.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.237 -0.438 . . . . 74.53 110.903 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -107.94 108.88 20.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 74.24 111.149 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt -64.44 -62.88 1.32 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 72.22 110.872 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.3 m -122.29 70.23 32.48 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.586 0.707 . . . . 71.52 110.897 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.445 ' CG ' HD12 ' A' ' 55' ' ' LEU . 53.4 Cg_endo -69.81 151.49 68.77 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.689 2.259 . . . . 74.22 112.28 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.552 ' HB2' HD21 ' A' ' 81' ' ' LEU . 8.1 mtpp -126.74 156.12 41.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 73.44 110.918 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.673 HD11 ' HD3' ' A' ' 102' ' ' PRO . 28.3 mt -96.62 92.43 6.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 43.35 110.936 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.419 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 19.6 mt -47.73 162.42 0.31 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.605 0.717 . . . . 71.05 110.858 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.419 ' HD2' ' HB3' ' A' ' 70' ' ' LEU . 54.1 Cg_endo -69.65 -6.79 19.39 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.697 2.265 . . . . 73.5 112.354 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 75.9 m -103.77 15.29 29.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 71.12 110.93 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.829 HD12 ' HB3' ' A' ' 97' ' ' LEU . 9.1 mt 67.9 31.54 5.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 73.21 110.904 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -99.8 164.63 11.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.295 -0.411 . . . . 75.22 110.839 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 41.9 m -120.28 105.74 11.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 74.21 111.14 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.73 HD23 ' HB3' ' A' ' 80' ' ' CYS . 2.7 mp -117.73 171.44 8.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 51.52 110.898 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 30.3 p -99.92 160.42 14.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 71.55 110.926 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.06 -55.21 15.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 53.44 110.886 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -52.69 -29.67 33.48 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.704 -0.76 . . . . 43.32 112.482 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.73 ' HB3' HD23 ' A' ' 76' ' ' LEU . 1.1 m -74.53 -33.72 62.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.904 0.383 . . . . 74.13 110.872 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.599 HD12 ' HG2' ' A' ' 86' ' ' MET . 3.0 mm? -66.65 -43.15 85.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 74.23 110.911 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -78.38 -50.27 12.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 72.53 110.835 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.39 -53.55 50.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.135 -0.484 . . . . 72.44 111.069 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.542 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.1 OUTLIER -84.87 13.25 6.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 72.32 110.823 -179.719 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 38.52 48.24 2.28 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.744 -0.741 . . . . 74.04 112.517 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.599 ' HG2' HD12 ' A' ' 81' ' ' LEU . 25.2 mtm 65.78 35.97 6.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.794 0.331 . . . . 53.03 110.924 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.542 ' HB2' ' O ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -63.37 -165.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 74.24 110.905 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -143.06 72.65 18.37 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.639 0.733 . . . . 52.14 110.88 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.672 ' HG2' HD11 ' A' ' 76' ' ' LEU . 53.5 Cg_endo -69.75 -40.66 5.07 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.687 2.258 . . . . 62.02 112.3 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.461 HD11 ' HB3' ' A' ' 59' ' ' GLN . 15.3 mm -65.44 -14.42 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 63.44 111.19 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' CYS . . . . . 0.81 ' HG ' 'ZN ' ' A' ' 202' ' ' ' ZN' . 0.1 OUTLIER -78.78 -1.38 34.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 73.44 110.874 179.885 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -58.15 -29.59 65.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 75.44 110.965 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -137.74 152.94 73.51 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.608 0.718 . . . . 72.13 111.114 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 66.56 1.74 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.686 2.257 . . . . 65.42 112.445 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -76.88 160.36 76.73 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.575 0.702 . . . . 72.32 110.932 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 114.98 3.87 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.727 2.285 . . . . 74.21 112.381 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.829 ' HB3' HD12 ' A' ' 73' ' ' LEU . 4.1 mp -71.9 174.9 6.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 75.41 110.891 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.0 99.19 0.83 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.743 -0.741 . . . . 45.1 112.457 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 179.75 35.72 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.914 0.388 . . . . 52.12 111.155 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -66.52 91.78 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 73.42 110.856 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -143.25 74.24 17.53 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 121.551 0.691 . . . . 71.21 111.136 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.673 ' HD3' HD11 ' A' ' 69' ' ' LEU . 53.6 Cg_endo -69.77 151.04 68.9 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.743 2.295 . . . . 62.43 112.323 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.663 ' N ' HD11 ' A' ' 55' ' ' LEU . . . -69.39 153.92 42.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 73.33 111.12 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.456 . . . . 74.14 110.863 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . 0.81 'ZN ' ' HG ' ' A' ' 91' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.737 0.303 . . . . 74.54 110.849 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -97.53 178.59 5.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 73.31 110.875 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -73.33 -29.06 62.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 71.44 110.855 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -162.22 165.41 26.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 64.25 110.892 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.4 pm0 -110.73 66.48 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 62.23 110.907 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -150.06 135.53 18.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 75.03 110.877 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.615 HD12 ' N ' ' A' ' 56' ' ' ARG . 2.5 pp -127.9 174.68 8.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 74.24 110.894 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.615 ' N ' HD12 ' A' ' 55' ' ' LEU . 3.0 tmm_? -110.91 129.1 55.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.205 -0.452 . . . . 71.11 110.856 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.557 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 9.1 t -60.81 123.91 18.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 65.02 110.845 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 23.4 mm100 -77.5 1.29 19.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 70.11 110.886 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.619 ' HB3' HD11 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -119.62 -22.86 6.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 74.12 110.914 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.557 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 10.6 m -107.64 -23.72 12.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 72.01 110.918 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 63.68 36.51 10.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 71.22 110.893 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -142.99 177.44 8.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 64.33 111.127 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -62.11 131.46 49.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 74.53 110.844 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -108.35 107.52 18.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.472 . . . . 74.24 111.11 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.7 mtmt -62.64 -71.18 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 72.22 110.875 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.6 m -114.08 71.91 2.15 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.619 0.723 . . . . 71.52 110.866 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.583 ' HB2' HD21 ' A' ' 55' ' ' LEU . 53.0 Cg_endo -69.72 163.05 39.68 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.714 2.276 . . . . 74.22 112.325 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.442 ' HB2' HD21 ' A' ' 81' ' ' LEU . 45.8 mmtm -139.5 156.07 47.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.188 -0.46 . . . . 73.44 110.85 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.2 mt -94.69 114.04 25.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 43.35 110.915 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.528 HD21 HD13 ' A' ' 76' ' ' LEU . 4.6 mm? -50.86 161.23 0.69 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.605 0.717 . . . . 71.05 110.946 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.417 ' HD2' HD12 ' A' ' 70' ' ' LEU . 53.8 Cg_endo -69.74 -7.9 22.23 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.692 2.261 . . . . 73.5 112.312 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.48 ' O ' HD23 ' A' ' 73' ' ' LEU . 3.8 m -106.39 -71.38 0.75 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 71.12 110.942 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.749 ' HB3' HD22 ' A' ' 97' ' ' LEU . 0.3 OUTLIER 175.14 55.25 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 73.21 110.92 179.92 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -133.97 165.39 25.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 75.22 110.898 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.0 m -125.03 117.28 23.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 74.21 111.145 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.785 HD23 ' HB3' ' A' ' 80' ' ' CYS . 2.9 mp -119.86 172.09 7.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 51.52 110.931 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 31.5 p -97.82 160.86 14.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 71.55 110.884 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.07 -53.99 28.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 53.44 110.921 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.71 -28.65 38.97 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.768 -0.729 . . . . 43.32 112.463 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.785 ' HB3' HD23 ' A' ' 76' ' ' LEU . 1.1 m -74.66 -32.88 62.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.908 0.385 . . . . 74.13 110.922 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.643 HD13 ' HA ' ' A' ' 86' ' ' MET . 0.9 OUTLIER -67.27 -43.34 82.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 74.23 110.941 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -78.15 -44.15 26.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 72.53 110.85 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.93 -52.81 31.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 72.44 111.14 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.565 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.7 OUTLIER -83.16 14.83 3.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 72.32 110.887 -179.849 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 39.8 44.5 2.63 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.722 -0.752 . . . . 74.04 112.438 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.643 ' HA ' HD13 ' A' ' 81' ' ' LEU . 0.2 OUTLIER 69.15 36.74 2.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.658 0.266 . . . . 53.03 110.833 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.565 ' HB2' ' O ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -68.74 -163.71 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.302 -0.408 . . . . 74.24 110.901 -179.918 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -152.58 72.19 7.43 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.574 0.702 . . . . 52.14 110.858 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 -37.87 8.52 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.718 2.278 . . . . 62.02 112.299 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.619 HD11 ' HB3' ' A' ' 59' ' ' GLN . 21.7 mm -68.37 -15.8 20.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 63.44 111.154 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.37 -19.59 23.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 73.44 110.883 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -70.56 -10.22 58.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 75.44 110.938 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -117.23 83.04 15.14 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.54 0.686 . . . . 72.13 111.079 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 94.55 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.68 2.254 . . . . 65.42 112.338 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.416 ' HB2' ' HD2' ' A' ' 96' ' ' PRO . 1.3 p-90 -130.14 155.56 80.58 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.555 0.693 . . . . 72.32 110.915 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.416 ' HD2' ' HB2' ' A' ' 95' ' ' TRP . 53.9 Cg_endo -69.75 123.04 9.71 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.66 2.24 . . . . 74.21 112.363 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.749 HD22 ' HB3' ' A' ' 73' ' ' LEU . 0.4 OUTLIER -89.58 165.82 14.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 75.41 110.875 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 172.81 -25.84 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 45.1 112.498 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -126.66 87.45 2.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.835 0.35 . . . . 52.12 111.088 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -128.2 112.85 14.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 73.42 110.857 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.33 87.64 36.05 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.547 0.689 . . . . 71.21 111.143 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 159.05 54.9 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.652 2.234 . . . . 62.43 112.401 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -82.74 153.79 25.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 73.33 111.063 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 74.14 110.914 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.8 0.334 . . . . 74.54 110.924 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -110.82 174.39 5.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 73.31 110.973 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -131.03 -174.07 3.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 71.44 110.868 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -106.1 159.93 15.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 64.25 110.888 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.544 ' HG2' HD13 ' A' ' 104' ' ' LEU . 0.8 OUTLIER -91.38 97.45 11.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 62.23 110.982 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -142.44 149.4 39.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 75.03 110.964 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.452 HD11 ' HA ' ' A' ' 102' ' ' PRO . 53.1 mt -94.12 170.05 9.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 74.24 110.926 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? -139.37 116.59 11.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 71.11 110.846 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.514 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 10.2 t -49.84 119.35 3.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 65.02 110.913 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -76.5 0.89 18.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 70.11 110.883 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.81 -20.86 9.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 74.12 110.901 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.514 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 7.2 m -109.44 -24.69 10.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 72.01 110.942 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 63.68 37.16 10.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 71.22 110.921 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -142.63 177.9 7.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 64.33 111.07 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.49 132.61 53.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 74.53 110.827 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -110.73 109.51 19.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 74.24 111.09 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.82 -67.78 0.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 72.22 110.826 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.425 ' HB3' ' HB2' ' A' ' 78' ' ' SER . 0.9 OUTLIER -118.6 71.74 10.08 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.632 0.73 . . . . 71.52 110.84 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.404 ' HG2' HD12 ' A' ' 55' ' ' LEU . 54.2 Cg_endo -69.71 141.81 46.45 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.736 2.29 . . . . 74.22 112.32 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.551 ' HB2' HD21 ' A' ' 81' ' ' LEU . 14.3 mmmm -116.11 156.23 26.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 73.44 110.947 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.718 HD11 ' O ' ' A' ' 100' ' ' ASP . 5.0 mt -98.7 94.8 6.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.212 -0.449 . . . . 43.35 110.959 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.414 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 19.7 mt -47.65 162.39 0.31 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.657 0.742 . . . . 71.05 110.943 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.414 ' HD2' ' HB3' ' A' ' 70' ' ' LEU . 54.0 Cg_endo -69.75 -6.39 18.49 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.72 2.28 . . . . 73.5 112.371 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 81.5 m -103.82 14.0 31.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 71.12 110.865 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.811 HD12 HD12 ' A' ' 97' ' ' LEU . 10.3 mt 69.08 33.61 3.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 73.21 110.873 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.494 ' O ' HD23 ' A' ' 69' ' ' LEU . 4.5 m-70 -101.93 164.76 11.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 75.22 110.874 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 94.8 m -119.55 113.61 20.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.296 -0.411 . . . . 74.21 111.161 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.741 HD11 ' HG2' ' A' ' 89' ' ' PRO . 3.0 mp -126.26 171.75 10.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 51.52 110.898 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 27.8 p -100.46 161.01 13.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 71.55 110.862 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.425 ' HB2' ' HB3' ' A' ' 66' ' ' CYS . 0.0 OUTLIER -50.29 -54.31 22.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 53.44 110.823 -179.799 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.42 -31.91 44.2 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.753 -0.737 . . . . 43.32 112.49 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.735 ' HB3' HD23 ' A' ' 76' ' ' LEU . 1.1 m -71.4 -33.47 69.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.837 0.351 . . . . 74.13 110.866 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.588 HD13 ' HA ' ' A' ' 86' ' ' MET . 2.9 mm? -66.52 -43.4 85.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 74.23 110.909 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -79.54 -48.97 12.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 72.53 110.873 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.03 -55.44 16.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 72.44 111.11 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.43 ' CB ' ' HB2' ' A' ' 87' ' ' GLN . 0.8 OUTLIER -81.82 13.31 3.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 72.32 110.89 -179.806 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 40.62 46.58 3.74 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 74.04 112.432 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.588 ' HA ' HD13 ' A' ' 81' ' ' LEU . 0.3 OUTLIER 62.8 35.45 13.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.705 0.288 . . . . 53.03 110.9 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.43 ' HB2' ' CB ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -61.98 -168.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 74.24 110.906 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -137.9 70.01 50.36 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.639 0.733 . . . . 52.14 110.844 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.741 ' HG2' HD11 ' A' ' 76' ' ' LEU . 52.8 Cg_endo -69.84 -42.38 3.37 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.678 2.252 . . . . 62.02 112.269 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.441 HG21 ' CD1' ' A' ' 95' ' ' TRP . 30.2 mm -63.99 -26.04 39.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 63.44 111.177 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' CYS . . . . . 0.86 ' SG ' 'ZN ' ' A' ' 202' ' ' ' ZN' . 0.0 OUTLIER -51.24 -24.86 4.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 73.44 110.913 179.883 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -98.7 -26.26 14.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 75.44 110.953 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -72.55 152.49 91.74 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.601 0.715 . . . . 72.13 111.089 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.76 -5.33 15.96 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.645 2.23 . . . . 65.42 112.324 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.441 ' CD1' HG21 ' A' ' 90' ' ' ILE . 9.2 t-105 -52.79 120.25 18.36 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.602 0.715 . . . . 72.32 110.919 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 157.56 59.79 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.621 2.214 . . . . 74.21 112.346 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.811 HD12 HD12 ' A' ' 73' ' ' LEU . 0.2 OUTLIER -99.47 172.02 7.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 75.41 110.936 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 176.11 -148.07 9.01 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.75 -0.738 . . . . 45.1 112.491 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -113.5 14.82 19.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.745 0.307 . . . . 52.12 111.08 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.718 ' O ' HD11 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -49.1 110.71 0.39 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 73.42 110.887 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.05 160.88 81.48 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.614 0.721 . . . . 71.21 111.126 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.452 ' HA ' HD11 ' A' ' 55' ' ' LEU . 53.2 Cg_endo -69.78 -170.82 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.633 2.222 . . . . 62.43 112.369 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -88.72 152.15 21.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 73.33 111.103 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.544 HD13 ' HG2' ' A' ' 53' ' ' GLN . 10.4 mp . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 74.14 110.924 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . 0.86 'ZN ' ' SG ' ' A' ' 91' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.759 0.314 . . . . 74.54 110.92 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -95.19 -178.23 4.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 73.31 110.906 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -53.95 173.05 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 71.44 110.883 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.1 p90 -52.77 162.28 0.62 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 64.25 110.884 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.44 78.53 1.49 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 62.23 110.949 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -140.2 154.71 47.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 75.03 110.919 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.61 HD11 ' C ' ' A' ' 102' ' ' PRO . 22.4 mt -79.39 174.19 11.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 74.24 110.959 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.0 tmm_? -142.94 115.84 8.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 71.11 110.822 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.532 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 8.9 t -51.74 121.77 7.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 65.02 110.895 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -76.73 -1.03 25.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 70.11 110.937 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.7 -20.55 9.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 74.12 110.854 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.532 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 14.9 m -111.43 -14.27 13.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 72.01 110.863 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 52.09 38.84 25.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 71.22 110.944 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -141.9 179.47 6.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 64.33 111.039 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -62.96 134.61 56.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.135 -0.484 . . . . 74.53 110.87 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -113.51 108.06 16.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 74.24 111.12 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 42.3 mtmt -63.9 -68.73 0.33 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 72.22 110.956 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.3 m -115.8 70.97 3.69 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.662 0.744 . . . . 71.52 110.868 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.548 ' CG ' HD12 ' A' ' 55' ' ' LEU . 53.8 Cg_endo -69.74 152.59 69.43 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.722 2.281 . . . . 74.22 112.355 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.534 ' HB2' HD21 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -125.6 156.07 39.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 73.44 110.901 179.872 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.554 HD11 ' HD3' ' A' ' 102' ' ' PRO . 66.5 mt -101.98 91.46 4.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 43.35 110.895 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.442 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 19.9 mt -48.75 162.55 0.36 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.68 0.753 . . . . 71.05 110.904 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.442 ' HD2' ' HB3' ' A' ' 70' ' ' LEU . 54.1 Cg_endo -69.69 -7.0 19.92 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.692 2.261 . . . . 73.5 112.357 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 84.1 m -101.52 13.04 36.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 71.12 110.947 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.775 HD12 ' CD2' ' A' ' 97' ' ' LEU . 7.3 mt 69.79 33.72 2.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.494 . . . . 73.21 110.881 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -100.83 164.88 11.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 75.22 110.894 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 89.1 m -125.36 104.5 8.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 74.21 111.205 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.733 HD23 ' HB3' ' A' ' 80' ' ' CYS . 3.5 mp -115.34 172.52 7.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 51.52 110.895 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 26.8 p -100.43 167.94 10.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 71.55 110.89 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 97.3 p -54.55 -57.21 12.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 53.44 110.874 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -51.57 -31.99 30.62 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.675 -0.774 . . . . 43.32 112.456 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.733 ' HB3' HD23 ' A' ' 76' ' ' LEU . 1.2 m -70.92 -33.37 70.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.849 0.356 . . . . 74.13 110.88 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.534 HD21 ' HB2' ' A' ' 68' ' ' LYS . 3.3 mm? -67.52 -43.63 80.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 74.23 110.891 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -79.25 -51.7 9.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 72.53 110.818 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.15 -55.42 21.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 72.44 111.075 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 87' ' ' GLN . 0.9 OUTLIER -84.31 14.74 4.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 72.32 110.823 -179.713 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 38.33 49.14 2.25 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.688 -0.768 . . . . 74.04 112.542 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.459 ' HA ' HD13 ' A' ' 81' ' ' LEU . 1.2 mtm 60.44 36.33 20.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.707 0.289 . . . . 53.03 110.872 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -60.08 -168.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.248 -0.433 . . . . 74.24 110.975 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -137.95 70.41 49.82 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.623 0.725 . . . . 52.14 110.885 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.711 ' HG2' HD11 ' A' ' 76' ' ' LEU . 53.7 Cg_endo -69.79 -42.34 3.46 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.606 2.204 . . . . 62.02 112.357 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.6 mm -64.06 -15.9 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 63.44 111.164 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' CYS . . . . . 0.775 ' SG ' 'ZN ' ' A' ' 202' ' ' ' ZN' . 0.0 OUTLIER -69.96 -9.57 55.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 73.44 110.874 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -76.95 -39.37 50.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 75.44 110.961 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -110.61 131.38 22.11 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 121.567 0.699 . . . . 72.13 111.143 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.89 61.04 1.79 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.702 2.268 . . . . 65.42 112.254 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -54.76 158.08 4.79 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.577 0.703 . . . . 72.32 110.96 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.84 118.15 5.51 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.663 2.242 . . . . 74.21 112.297 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.775 ' CD2' HD12 ' A' ' 73' ' ' LEU . 0.9 OUTLIER -81.07 169.37 17.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 75.41 110.895 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 105.34 -18.89 41.07 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.708 -0.758 . . . . 45.1 112.493 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -126.73 100.56 6.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 52.12 111.122 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -161.88 103.71 1.17 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.441 . . . . 73.42 110.844 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.498 HG22 ' HD2' ' A' ' 102' ' ' PRO . 0.0 OUTLIER -141.62 159.26 60.84 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.611 0.72 . . . . 71.21 111.087 -179.89 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.61 ' C ' HD11 ' A' ' 55' ' ' LEU . 52.4 Cg_endo -69.81 -176.12 1.39 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.682 2.255 . . . . 62.43 112.265 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.426 ' HB2' ' HG ' ' A' ' 55' ' ' LEU . . . -93.55 152.13 19.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.162 -0.472 . . . . 73.33 111.096 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 74.14 110.94 179.976 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . 0.775 'ZN ' ' SG ' ' A' ' 91' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.865 0.364 . . . . 74.54 110.926 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -142.85 162.92 34.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 73.31 110.905 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -128.57 142.05 51.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 71.44 110.869 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -66.73 138.52 57.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 64.25 110.815 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -107.19 66.94 0.68 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.09 -0.505 . . . . 62.23 110.905 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -141.86 153.43 44.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.458 . . . . 75.03 110.907 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.556 ' HG ' ' HB2' ' A' ' 103' ' ' ALA . 5.6 mt -114.58 -169.41 1.53 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.186 -0.461 . . . . 74.24 110.931 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.1 tmm_? -147.17 118.08 7.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 71.11 110.914 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.522 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 10.2 t -50.94 120.35 4.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 65.02 110.933 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.487 ' C ' HD11 ' A' ' 90' ' ' ILE . 19.2 mm100 -76.86 -0.58 24.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 70.11 110.838 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.44 -20.53 10.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.311 -0.404 . . . . 74.12 110.91 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.522 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 14.4 m -110.66 -21.75 11.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 72.01 110.952 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 60.14 37.22 20.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 71.22 110.887 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -142.45 177.6 8.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 64.33 111.12 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -65.57 130.45 43.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 74.53 110.849 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -106.06 110.76 23.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 74.24 111.083 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 39.4 mtmt -60.38 -62.55 1.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 72.22 110.898 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.416 ' HB3' ' HB2' ' A' ' 78' ' ' SER . 0.9 OUTLIER -126.62 74.75 74.86 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.717 0.77 . . . . 71.52 110.856 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.42 ' CG ' HD12 ' A' ' 55' ' ' LEU . 54.0 Cg_endo -69.81 155.46 65.71 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.707 2.271 . . . . 74.22 112.34 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.3 mtmt -134.32 156.14 48.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 73.44 110.917 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 55.1 mt -92.8 104.6 16.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 43.35 110.939 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.432 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 19.3 mt -48.19 161.9 0.36 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.652 0.739 . . . . 71.05 110.902 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.432 ' HD2' ' HB3' ' A' ' 70' ' ' LEU . 53.8 Cg_endo -69.67 -7.15 20.29 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.744 2.296 . . . . 73.5 112.359 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 1.3 m -96.32 -79.7 0.44 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.431 . . . . 71.12 110.891 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.834 ' CB ' HD22 ' A' ' 97' ' ' LEU . 1.6 pp 175.38 41.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 73.21 110.906 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.408 ' CG ' ' HB ' ' A' ' 90' ' ' ILE . 2.6 m-70 -128.24 164.69 22.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.274 -0.421 . . . . 75.22 110.901 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 60.7 m -115.5 123.69 49.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.242 -0.435 . . . . 74.21 111.125 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.789 HD23 ' HB3' ' A' ' 80' ' ' CYS . 3.9 mp -124.93 171.44 10.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.308 -0.406 . . . . 51.52 110.97 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.842 ' HG ' 'ZN ' ' A' ' 201' ' ' ' ZN' . 29.9 p -95.83 159.41 14.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 71.55 110.842 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.416 ' HB2' ' HB3' ' A' ' 66' ' ' CYS . 0.0 OUTLIER -49.03 -53.42 20.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 53.44 110.825 -179.827 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -55.18 -29.35 52.2 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.728 -0.748 . . . . 43.32 112.465 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.789 ' HB3' HD23 ' A' ' 76' ' ' LEU . 1.0 OUTLIER -73.67 -37.25 65.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.856 0.36 . . . . 74.13 110.835 -179.871 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.544 HD13 ' HA ' ' A' ' 86' ' ' MET . 2.2 mm? -63.94 -41.84 97.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 74.23 110.987 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -79.33 -52.38 8.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 72.53 110.892 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.16 -54.6 38.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 72.44 111.102 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.474 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.1 OUTLIER -82.12 12.37 4.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 72.32 110.926 -179.836 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 39.52 46.74 2.84 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.724 -0.751 . . . . 74.04 112.508 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.544 ' HA ' HD13 ' A' ' 81' ' ' LEU . 10.2 mtp 66.07 36.86 5.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.749 0.309 . . . . 53.03 110.886 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.474 ' HB2' ' O ' ' A' ' 84' ' ' SER . 0.1 OUTLIER -62.07 -164.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 74.24 110.9 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -147.12 71.14 12.12 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.631 0.729 . . . . 52.14 110.9 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.432 ' HG2' HD11 ' A' ' 76' ' ' LEU . 53.3 Cg_endo -69.79 -45.48 1.56 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.708 2.272 . . . . 62.02 112.282 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.487 HD11 ' C ' ' A' ' 58' ' ' GLN . 20.4 mm -67.87 -15.07 19.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.279 -0.419 . . . . 63.44 111.171 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -50.41 -28.5 8.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 73.44 110.911 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -58.9 -33.07 70.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 75.44 110.833 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.408 ' HA ' ' HD2' ' A' ' 94' ' ' PRO . . . -113.05 91.18 17.63 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.598 0.713 . . . . 72.13 111.065 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 93' ' ' ALA . 54.3 Cg_endo -69.72 113.18 3.28 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.684 2.256 . . . . 65.42 112.377 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.527 ' O ' HD13 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -129.98 160.81 63.36 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.52 0.676 . . . . 72.32 110.917 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.431 ' HD2' ' HB2' ' A' ' 95' ' ' TRP . 53.0 Cg_endo -69.77 139.16 39.53 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.638 2.225 . . . . 74.21 112.337 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.834 HD22 ' CB ' ' A' ' 73' ' ' LEU . 0.8 OUTLIER -110.32 158.64 18.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 75.41 110.936 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -130.7 -139.84 4.55 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.722 -0.751 . . . . 45.1 112.467 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -103.31 12.23 35.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.807 0.337 . . . . 52.12 111.154 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -61.26 94.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 73.42 110.892 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -70.58 161.16 78.66 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.584 0.707 . . . . 71.21 111.099 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.488 ' HA ' HD11 ' A' ' 55' ' ' LEU . 54.3 Cg_endo -69.82 -171.37 0.47 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.652 2.234 . . . . 62.43 112.338 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.556 ' HB2' ' HG ' ' A' ' 55' ' ' LEU . . . -98.55 152.13 19.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 73.33 111.085 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.456 ' H ' HD12 ' A' ' 104' ' ' LEU . 6.3 mp . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 74.14 110.929 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . 0.842 'ZN ' ' HG ' ' A' ' 77' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.843 0.354 . . . . 74.54 110.891 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -101.13 144.91 29.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 73.31 110.895 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -132.78 -178.4 4.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 71.44 110.883 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 14.3 p90 -126.56 172.37 10.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 64.25 110.844 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.539 ' CG ' HD13 ' A' ' 104' ' ' LEU . 4.2 tp-100 -104.31 68.24 0.87 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 62.23 110.897 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -149.85 151.97 34.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 75.03 110.882 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.541 HD11 ' C ' ' A' ' 102' ' ' PRO . 8.1 mt -106.89 -169.56 1.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 74.24 110.896 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.0 tmm_? -148.03 117.07 6.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 71.11 110.898 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.499 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 10.9 t -49.35 118.41 2.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 65.02 110.929 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.3 mm100 -76.06 1.04 16.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 70.11 110.903 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.514 ' HB3' HD11 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -116.39 -20.91 9.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 74.12 110.9 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.499 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 8.1 m -109.77 -24.89 10.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 72.01 110.844 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 63.88 38.6 8.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 71.22 110.935 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -145.56 179.69 7.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 64.33 111.114 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -66.21 131.19 45.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 74.53 110.833 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -111.34 113.94 26.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.08 -0.509 . . . . 74.24 111.147 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -68.84 0.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 72.22 110.809 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.8 t -114.08 71.87 2.14 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.644 0.735 . . . . 71.52 110.821 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.488 ' CG ' HD12 ' A' ' 55' ' ' LEU . 53.4 Cg_endo -69.84 146.02 58.45 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.648 2.232 . . . . 74.22 112.342 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.648 ' HB2' HD21 ' A' ' 81' ' ' LEU . 0.5 OUTLIER -123.01 157.12 33.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 73.44 110.889 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.677 HD23 ' O ' ' A' ' 74' ' ' HIS . 7.5 mt -103.01 97.9 7.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 43.35 110.908 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.475 HD12 ' HD2' ' A' ' 71' ' ' PRO . 4.4 mm? -48.83 163.98 0.31 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.621 0.724 . . . . 71.05 110.922 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.475 ' HD2' HD12 ' A' ' 70' ' ' LEU . 53.9 Cg_endo -69.69 -4.56 14.23 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.752 2.302 . . . . 73.5 112.318 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 81.7 m -104.73 10.58 34.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 71.12 110.892 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.891 HD12 HD12 ' A' ' 97' ' ' LEU . 6.4 mt 71.89 37.25 1.06 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.193 -0.458 . . . . 73.21 110.924 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.677 ' O ' HD23 ' A' ' 69' ' ' LEU . 3.1 m-70 -104.44 165.36 11.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 75.22 110.845 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.7 m -118.35 118.26 31.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 74.21 111.175 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.705 HD11 ' HG2' ' A' ' 89' ' ' PRO . 2.6 mp -130.4 172.32 12.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 51.52 110.923 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.513 ' O ' HD23 ' A' ' 81' ' ' LEU . 26.6 p -101.85 176.49 5.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 71.55 110.882 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 96.6 p -63.75 -55.95 19.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 53.44 110.852 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -51.8 -29.65 26.85 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.792 -0.718 . . . . 43.32 112.518 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.702 ' HB3' HD23 ' A' ' 76' ' ' LEU . 1.3 m -74.08 -32.61 63.34 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.883 0.373 . . . . 74.13 110.909 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.648 HD21 ' HB2' ' A' ' 68' ' ' LYS . 3.5 mm? -68.33 -43.52 77.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 74.23 110.921 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -77.47 -47.89 18.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 72.53 110.876 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.82 -52.96 46.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 72.44 111.115 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.582 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.8 OUTLIER -86.2 14.62 6.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 72.32 110.882 -179.817 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 84' ' ' SER . . . 37.84 48.97 1.95 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.79 -0.719 . . . . 74.04 112.475 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.628 ' HA ' HD13 ' A' ' 81' ' ' LEU . 10.1 mtm 65.59 37.51 5.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.814 0.34 . . . . 53.03 110.923 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.582 ' HB2' ' O ' ' A' ' 84' ' ' SER . 0.1 OUTLIER -67.92 -164.39 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 74.24 110.882 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -144.1 74.23 16.06 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.594 0.711 . . . . 52.14 110.933 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.705 ' HG2' HD11 ' A' ' 76' ' ' LEU . 54.2 Cg_endo -69.73 -39.89 6.02 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.649 2.233 . . . . 62.02 112.347 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.514 HD11 ' HB3' ' A' ' 59' ' ' GLN . 22.2 mm -63.29 -15.32 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 63.44 111.145 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' CYS . . . . . 0.884 ' SG ' 'ZN ' ' A' ' 202' ' ' ' ZN' . 0.0 OUTLIER -72.24 -6.16 41.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 73.44 110.913 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -57.8 -35.7 71.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 75.44 110.868 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -139.03 149.87 62.98 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.643 0.735 . . . . 72.13 111.075 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 61.19 1.72 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.706 2.27 . . . . 65.42 112.341 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.572 ' O ' HD23 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -68.45 160.35 76.56 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.574 0.702 . . . . 72.32 110.845 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.401 ' HD2' ' HB2' ' A' ' 95' ' ' TRP . 53.9 Cg_endo -69.76 121.81 8.49 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.678 2.252 . . . . 74.21 112.356 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.891 HD12 HD12 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -108.05 -176.78 3.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 75.41 110.932 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -179.76 -150.57 9.22 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.77 -0.729 . . . . 45.1 112.533 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -104.73 18.36 22.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.821 0.343 . . . . 52.12 111.121 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.666 ' O ' HD11 ' A' ' 69' ' ' LEU . 1.1 p30 -51.64 103.32 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 73.42 110.869 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.98 159.65 81.88 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.583 0.706 . . . . 71.21 111.106 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.672 ' HD3' HD12 ' A' ' 69' ' ' LEU . 54.8 Cg_endo -69.76 -175.02 1.02 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.641 2.228 . . . . 62.43 112.367 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.463 ' N ' HD11 ' A' ' 55' ' ' LEU . . . -96.82 151.94 19.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 73.33 111.099 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.539 HD13 ' CG ' ' A' ' 53' ' ' GLN . 9.4 mp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 74.14 110.894 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . 0.884 'ZN ' ' SG ' ' A' ' 91' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 . . . . . 0 CA--C 1.527 0.062 0 CA-C-O 120.816 0.341 . . . . 74.54 110.867 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -123.39 110.1 14.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.157 -0.474 . . . . 73.31 110.885 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -77.92 -33.02 51.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 71.44 110.862 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -166.29 111.06 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 64.25 110.885 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -107.19 66.44 0.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 62.23 110.902 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -128.76 123.92 34.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 75.03 110.831 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.775 HD12 ' HG3' ' A' ' 67' ' ' PRO . 5.1 mt -85.21 -172.42 4.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.066 -0.515 . . . . 74.24 110.937 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -153.24 116.6 4.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 71.11 110.815 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.529 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 9.3 t -49.7 119.78 3.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 65.02 110.85 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -76.83 1.63 16.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.171 -0.468 . . . . 70.11 110.857 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.17 -20.39 8.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 74.12 110.87 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.529 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 7.4 m -110.18 -24.27 10.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 72.01 110.84 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 63.4 37.68 10.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.173 -0.467 . . . . 71.22 110.842 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -143.49 178.73 7.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 64.33 111.098 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -64.42 132.04 48.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 74.53 110.829 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -107.26 108.51 19.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 74.24 111.136 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.8 mtmm -64.77 -65.62 0.65 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 72.22 110.884 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.4 m -118.08 70.51 7.94 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.567 0.699 . . . . 71.52 110.853 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.775 ' HG3' HD12 ' A' ' 55' ' ' LEU . 54.6 Cg_endo -69.68 159.49 53.26 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.651 2.234 . . . . 74.22 112.432 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.6 ' HB2' HD21 ' A' ' 81' ' ' LEU . 11.2 mtpt -133.4 154.22 50.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 73.44 110.925 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.788 HD11 ' HD3' ' A' ' 102' ' ' PRO . 29.0 mt -99.08 91.42 5.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 43.35 110.95 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.413 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 20.1 mt -48.72 161.82 0.39 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.589 0.709 . . . . 71.05 110.91 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.413 ' HD2' ' HB3' ' A' ' 70' ' ' LEU . 52.7 Cg_endo -69.87 -6.57 18.97 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.669 2.246 . . . . 73.5 112.285 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 89.8 m -102.17 12.74 36.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 71.12 110.872 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.802 HD12 ' HB3' ' A' ' 97' ' ' LEU . 8.2 mt 70.17 34.48 2.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 73.21 110.915 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -102.98 164.73 11.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 75.22 110.853 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.5 m -123.9 105.58 9.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 74.21 111.153 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.732 HD23 ' HB3' ' A' ' 80' ' ' CYS . 2.9 mp -117.31 171.76 7.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 51.52 110.927 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 30.5 p -99.53 160.76 14.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 71.55 110.849 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.32 -54.87 18.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 53.44 110.852 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.13 -29.35 36.11 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.742 -0.742 . . . . 43.32 112.47 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.732 ' HB3' HD23 ' A' ' 76' ' ' LEU . 1.1 m -74.8 -33.32 62.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.846 0.355 . . . . 74.13 110.865 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.6 HD21 ' HB2' ' A' ' 68' ' ' LYS . 3.0 mm? -66.63 -43.31 85.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 74.23 110.865 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -78.49 -47.26 17.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 72.53 110.853 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.05 -53.65 35.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 72.44 111.048 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.512 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.1 OUTLIER -84.19 13.03 5.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 72.32 110.84 -179.762 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 39.74 46.73 3.03 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.762 -0.733 . . . . 74.04 112.432 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.583 ' HG2' HD12 ' A' ' 81' ' ' LEU . 15.4 mtm 66.78 36.82 4.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.745 0.307 . . . . 53.03 110.877 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.512 ' HB2' ' O ' ' A' ' 84' ' ' SER . 0.4 OUTLIER -64.27 -166.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 74.24 110.886 -179.922 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.49 70.88 21.22 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.65 0.738 . . . . 52.14 110.833 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.713 ' HG2' HD11 ' A' ' 76' ' ' LEU . 53.7 Cg_endo -69.8 -43.09 2.83 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.698 2.265 . . . . 62.02 112.358 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 23.6 mm -61.83 -26.81 40.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 63.44 111.14 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' CYS . . . . . 0.847 ' SG ' 'ZN ' ' A' ' 202' ' ' ' ZN' . 0.0 OUTLIER -53.35 -22.78 7.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 73.44 110.916 179.888 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -97.88 -25.01 15.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 75.44 110.938 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.491 ' HB1' ' HD2' ' A' ' 94' ' ' PRO . . . -71.42 157.68 89.5 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.594 0.711 . . . . 72.13 111.088 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.491 ' HD2' ' HB1' ' A' ' 93' ' ' ALA . 53.4 Cg_endo -69.68 -6.91 19.7 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.673 2.248 . . . . 65.42 112.409 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.442 ' CZ2' ' HB3' ' A' ' 99' ' ' ALA . 61.1 t-105 -53.26 109.77 1.66 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.549 0.69 . . . . 72.32 110.861 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 137.68 36.05 Favored 'Trans proline' 0 C--O 1.233 0.27 0 C-N-CA 122.669 2.246 . . . . 74.21 112.339 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.802 ' HB3' HD12 ' A' ' 73' ' ' LEU . 5.6 mp -61.56 169.37 2.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 75.41 110.933 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 108.49 -34.75 5.39 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.767 -0.73 . . . . 45.1 112.498 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.442 ' HB3' ' CZ2' ' A' ' 95' ' ' TRP . . . -104.32 107.47 18.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.732 0.301 . . . . 52.12 111.196 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -169.91 100.72 0.3 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 73.42 110.872 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.507 HG22 ' HD2' ' A' ' 102' ' ' PRO . 0.0 OUTLIER -135.36 157.02 77.47 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.612 0.72 . . . . 71.21 111.152 -179.87 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.788 ' HD3' HD11 ' A' ' 69' ' ' LEU . 53.7 Cg_endo -69.72 -178.06 2.15 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.676 2.25 . . . . 62.43 112.35 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.687 ' N ' HD11 ' A' ' 55' ' ' LEU . . . -94.61 107.14 19.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 73.33 111.15 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.577 HD22 ' C ' ' A' ' 104' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.259 -0.428 . . . . 74.14 110.978 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . 0.847 'ZN ' ' SG ' ' A' ' 91' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.808 0.337 . . . . 74.54 110.945 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -125.64 -179.21 4.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 73.31 110.862 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -63.95 -32.86 74.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 71.44 110.892 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -172.82 149.52 1.98 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 64.25 110.859 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.444 ' HG2' HD23 ' A' ' 104' ' ' LEU . 37.2 tt0 -97.5 110.02 22.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 62.23 110.948 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -142.37 171.04 14.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 75.03 110.839 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.579 HD11 ' C ' ' A' ' 102' ' ' PRO . 41.9 mt -100.36 162.25 13.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.078 -0.51 . . . . 74.24 110.942 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -140.09 115.8 10.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 71.11 110.876 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.516 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 9.8 t -49.64 119.68 3.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 65.02 110.88 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -76.29 -0.75 23.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 70.11 110.945 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.479 ' HB3' HD11 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -114.57 -21.95 10.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 74.12 110.888 -179.905 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.516 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 11.0 m -108.35 -24.75 11.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 72.01 110.884 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 63.34 37.03 11.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 71.22 110.928 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -142.23 177.61 8.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 64.33 111.125 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -63.86 131.57 48.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 74.53 110.931 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -107.45 110.18 22.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 74.24 111.111 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 15.8 mtmm -63.05 -64.97 0.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 72.22 110.892 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.6 t -121.17 72.27 24.69 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.547 0.689 . . . . 71.52 110.912 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.529 ' HG2' HD12 ' A' ' 55' ' ' LEU . 53.7 Cg_endo -69.83 152.76 69.06 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.594 2.196 . . . . 74.22 112.36 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.411 ' HB2' HD21 ' A' ' 81' ' ' LEU . 22.2 mmtp -134.22 156.35 48.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 73.44 110.921 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 49.6 mt -89.95 109.57 20.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 43.35 110.932 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.471 HD11 HD22 ' A' ' 76' ' ' LEU . 1.5 mp -50.47 163.96 0.43 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.589 0.709 . . . . 71.05 110.883 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 -9.35 25.87 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.715 2.277 . . . . 73.5 112.276 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 1.4 m -97.33 -82.12 0.42 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 71.12 110.907 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.756 HD13 HD21 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -178.87 34.25 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 73.21 110.937 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.431 ' CG ' ' HB ' ' A' ' 90' ' ' ILE . 1.6 m-70 -120.53 164.87 15.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 75.22 110.867 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.448 ' O ' HD12 ' A' ' 76' ' ' LEU . 27.1 m -114.78 131.24 56.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 74.21 111.119 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.758 HD23 ' HB3' ' A' ' 80' ' ' CYS . 4.0 mp -129.8 172.54 11.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 51.52 110.954 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 27.9 p -97.8 170.74 8.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 71.55 110.914 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 92.9 p -57.28 -56.56 20.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 53.44 110.898 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -52.54 -29.37 31.61 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.725 -0.75 . . . . 43.32 112.471 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.758 ' HB3' HD23 ' A' ' 76' ' ' LEU . 1.2 m -74.34 -34.58 63.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.889 0.376 . . . . 74.13 110.882 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.603 HD13 ' HA ' ' A' ' 86' ' ' MET . 3.2 mm? -67.42 -42.34 83.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 74.23 110.937 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -78.34 -51.41 10.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 72.53 110.844 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.29 -53.47 52.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 72.44 111.132 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.548 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.8 OUTLIER -85.64 13.08 7.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 72.32 110.784 -179.74 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 37.72 50.24 1.93 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.698 -0.763 . . . . 74.04 112.55 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.603 ' HA ' HD13 ' A' ' 81' ' ' LEU . 0.1 OUTLIER 63.35 37.65 10.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.712 0.291 . . . . 53.03 110.808 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.548 ' HB2' ' O ' ' A' ' 84' ' ' SER . 1.0 OUTLIER -64.88 -164.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.312 -0.404 . . . . 74.24 110.906 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -146.86 71.09 12.41 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.674 0.75 . . . . 52.14 110.905 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -44.44 2.13 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.702 2.268 . . . . 62.02 112.337 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.479 HD11 ' HB3' ' A' ' 59' ' ' GLN . 25.9 mm -59.05 -20.9 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 63.44 111.087 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.43 -19.62 24.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 73.44 110.896 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 24.0 mm100 -81.41 -38.05 27.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 75.44 110.884 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.434 ' HA ' ' HD2' ' A' ' 94' ' ' PRO . . . -101.11 107.12 48.67 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.645 0.736 . . . . 72.13 111.072 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' A' ' 93' ' ' ALA . 54.1 Cg_endo -69.69 66.34 1.73 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.691 2.261 . . . . 65.42 112.384 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.404 ' HB2' ' HD2' ' A' ' 96' ' ' PRO . 3.2 p-90 -68.93 156.05 92.18 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.511 0.672 . . . . 72.32 110.972 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.404 ' HD2' ' HB2' ' A' ' 95' ' ' TRP . 53.5 Cg_endo -69.72 116.42 4.55 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.702 2.268 . . . . 74.21 112.358 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.756 HD21 HD13 ' A' ' 73' ' ' LEU . 5.0 mp -80.04 -180.0 7.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 75.41 110.868 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 158.92 -85.8 0.12 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.71 -0.757 . . . . 45.1 112.479 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -103.63 100.16 9.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.87 0.366 . . . . 52.12 111.113 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -116.09 103.87 11.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 73.42 110.915 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.527 HG22 ' HD2' ' A' ' 102' ' ' PRO . 0.0 OUTLIER -142.79 157.49 61.45 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.596 0.712 . . . . 71.21 111.175 -179.907 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.579 ' C ' HD11 ' A' ' 55' ' ' LEU . 53.7 Cg_endo -69.68 -176.88 1.61 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.736 2.291 . . . . 62.43 112.308 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.465 ' HB2' ' HG ' ' A' ' 55' ' ' LEU . . . -98.61 152.18 19.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 73.33 111.167 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.444 HD23 ' HG2' ' A' ' 53' ' ' GLN . 4.4 mm? . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 74.14 110.904 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.796 0.331 . . . . 74.54 110.928 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -130.77 121.77 26.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 73.31 110.9 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -58.86 -176.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 71.44 110.868 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 29.1 p90 -52.35 159.44 0.98 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 64.25 110.825 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.93 66.27 1.04 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 62.23 110.901 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -146.57 138.99 25.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.186 -0.461 . . . . 75.03 110.85 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.1 mt -113.3 -170.46 1.69 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 74.24 110.869 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.1 tmm_? -139.46 119.04 13.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 71.11 110.941 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.525 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 9.9 t -52.79 120.77 6.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 65.02 110.866 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -76.51 0.66 19.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 70.11 110.877 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.27 -21.78 8.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 74.12 110.98 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.525 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 13.7 m -109.34 -19.46 13.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 72.01 110.907 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 57.5 38.79 28.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 71.22 110.88 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -144.89 178.87 7.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 64.33 111.056 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -64.54 131.44 47.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 74.53 110.849 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -111.21 113.59 26.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 74.24 111.11 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt -62.68 -70.85 0.18 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.302 -0.408 . . . . 72.22 110.857 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.3 m -115.15 71.08 2.82 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-O 121.627 0.727 . . . . 71.52 110.811 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.84 153.23 68.79 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.645 2.23 . . . . 74.22 112.325 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.522 ' HB2' HD21 ' A' ' 81' ' ' LEU . 8.1 mmpt? -134.27 155.86 49.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 73.44 110.875 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.9 mt -97.13 110.02 22.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 43.35 110.858 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.422 HD13 ' HA ' ' A' ' 70' ' ' LEU . 3.1 mm? -50.48 160.6 0.72 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.617 0.722 . . . . 71.05 110.937 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.412 ' HD2' ' HB3' ' A' ' 70' ' ' LEU . 52.8 Cg_endo -69.8 -5.46 16.29 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.656 2.237 . . . . 73.5 112.331 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 23.0 m -95.22 -79.25 0.43 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 71.12 110.892 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.409 ' HB3' ' HG ' ' A' ' 97' ' ' LEU . 2.9 pp 177.54 36.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 73.21 110.895 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -126.39 166.38 17.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 75.22 110.864 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.598 ' O ' HD12 ' A' ' 76' ' ' LEU . 41.7 m -121.0 137.02 54.85 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.211 -0.449 . . . . 74.21 111.187 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.778 HD23 ' HB3' ' A' ' 80' ' ' CYS . 4.3 mp -134.58 172.84 12.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 51.52 110.804 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 28.5 p -98.41 167.67 10.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 71.55 110.936 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 91.4 p -54.72 -55.95 24.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 53.44 110.869 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.05 -28.9 34.31 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.702 -0.761 . . . . 43.32 112.523 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.778 ' HB3' HD23 ' A' ' 76' ' ' LEU . 1.2 m -74.21 -33.37 63.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.86 0.362 . . . . 74.13 110.887 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.647 HD13 ' HA ' ' A' ' 86' ' ' MET . 2.0 mm? -67.75 -43.37 80.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 74.23 110.902 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -77.56 -49.74 14.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 72.53 110.904 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.8 -53.37 51.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 72.44 111.128 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.544 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.1 OUTLIER -85.35 13.27 6.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 72.32 110.843 -179.781 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 84' ' ' SER . . . 38.49 48.07 2.25 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.736 -0.745 . . . . 74.04 112.461 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.647 ' HA ' HD13 ' A' ' 81' ' ' LEU . 0.3 OUTLIER 65.98 37.13 5.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.748 0.308 . . . . 53.03 110.86 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.544 ' HB2' ' O ' ' A' ' 84' ' ' SER . 0.2 OUTLIER -65.77 -165.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 74.24 110.906 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -147.98 72.79 11.3 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.638 0.732 . . . . 52.14 110.909 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 -41.58 4.21 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.663 2.242 . . . . 62.02 112.393 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.8 mm -68.35 -15.04 19.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 63.44 111.076 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.98 -22.32 14.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.43 . . . . 73.44 110.875 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -66.52 -19.86 65.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 75.44 110.865 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.436 ' HA ' ' HD2' ' A' ' 94' ' ' PRO . . . -106.45 102.39 40.75 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.523 0.678 . . . . 72.13 111.09 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.436 ' HD2' ' HA ' ' A' ' 93' ' ' ALA . 54.2 Cg_endo -69.73 86.67 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.73 2.287 . . . . 65.42 112.377 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.426 ' HB2' ' HD2' ' A' ' 96' ' ' PRO . 2.3 p-90 -126.57 156.68 72.8 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.561 0.696 . . . . 72.32 110.959 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.426 ' HD2' ' HB2' ' A' ' 95' ' ' TRP . 53.3 Cg_endo -69.82 158.92 55.24 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.669 2.246 . . . . 74.21 112.285 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.409 ' HG ' ' HB3' ' A' ' 73' ' ' LEU . 2.9 mt -56.87 -179.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 75.41 110.919 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -137.57 -167.63 11.11 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.695 -0.764 . . . . 45.1 112.534 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -124.08 -11.34 7.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.805 0.336 . . . . 52.12 111.126 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -64.67 91.75 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 73.42 110.903 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.86 160.75 7.69 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.602 0.715 . . . . 71.21 111.124 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 162.87 40.42 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.637 2.225 . . . . 62.43 112.384 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -88.65 151.83 22.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.293 -0.412 . . . . 73.33 111.038 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 9.4 mp . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 74.14 110.833 -179.968 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.793 0.33 . . . . 74.54 110.965 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -116.61 147.94 41.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 73.31 110.936 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -124.24 -172.78 2.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.115 -0.493 . . . . 71.44 110.846 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -110.25 166.62 10.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.481 . . . . 64.25 110.881 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.571 ' HB3' HD23 ' A' ' 104' ' ' LEU . 18.9 mm-40 -96.36 66.06 2.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 62.23 110.968 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -158.9 156.23 29.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.439 . . . . 75.03 110.84 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.739 HD11 ' HA ' ' A' ' 102' ' ' PRO . 0.3 OUTLIER -104.92 -168.98 1.54 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 74.24 110.898 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -143.91 116.84 8.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 71.11 110.873 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.541 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 8.5 t -49.97 119.92 3.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.499 . . . . 65.02 110.926 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -76.2 1.59 15.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.107 -0.497 . . . . 70.11 110.926 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.435 ' HB3' HD11 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -118.21 -23.34 7.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 74.12 110.912 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.541 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 10.7 m -106.94 -21.43 13.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 72.01 110.915 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 59.65 37.07 22.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 71.22 110.88 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -142.69 179.73 6.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.281 -0.418 . . . . 64.33 111.088 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -67.9 126.53 29.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 74.53 110.894 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.48 113.15 26.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 74.24 111.118 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.5 mtmp? -63.55 -67.88 0.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 72.22 110.897 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.3 m -115.29 71.78 3.21 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.609 0.719 . . . . 71.52 110.899 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 148.78 65.89 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.586 2.191 . . . . 74.22 112.394 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.52 ' HB2' HD21 ' A' ' 81' ' ' LEU . 28.2 mmtp -128.99 156.96 42.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 73.44 110.869 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.2 mt -91.33 101.77 14.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 43.35 110.914 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.648 HD22 HD13 ' A' ' 76' ' ' LEU . 0.7 OUTLIER -49.36 164.68 0.31 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.631 0.729 . . . . 71.05 110.865 179.885 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 -7.88 22.16 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.732 2.288 . . . . 73.5 112.357 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.435 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 68.6 m -108.05 16.64 23.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 71.12 110.86 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.545 HD12 ' CD2' ' A' ' 97' ' ' LEU . 7.3 mt 71.42 22.0 4.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 73.21 110.95 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.435 ' CE1' ' HB3' ' A' ' 72' ' ' CYS . 3.8 m-70 -92.56 164.77 13.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 75.22 110.935 179.798 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.636 ' O ' HD12 ' A' ' 76' ' ' LEU . 4.3 m -113.14 127.88 56.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.272 -0.422 . . . . 74.21 111.105 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.693 HD23 ' HB3' ' A' ' 80' ' ' CYS . 2.6 mp -138.7 171.99 13.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 51.52 110.903 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 30.2 p -100.98 160.02 14.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 71.55 110.865 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.2 -54.3 21.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 53.44 110.855 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.15 -30.07 38.06 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.722 -0.751 . . . . 43.32 112.44 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.693 ' HB3' HD23 ' A' ' 76' ' ' LEU . 1.1 m -74.17 -32.61 63.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.895 0.379 . . . . 74.13 110.871 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.629 HD13 ' HA ' ' A' ' 86' ' ' MET . 3.0 mm? -67.8 -43.35 79.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 74.23 110.922 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -78.07 -44.93 24.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 72.53 110.898 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.36 -53.58 23.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 72.44 111.115 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.549 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.7 OUTLIER -83.88 14.5 3.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.23 -0.441 . . . . 72.32 110.826 -179.768 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 39.62 45.62 2.72 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.8 -0.714 . . . . 74.04 112.465 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.629 ' HA ' HD13 ' A' ' 81' ' ' LEU . 4.2 mtt 67.82 37.0 3.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.706 0.289 . . . . 53.03 110.916 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.549 ' HB2' ' O ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -67.42 -165.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 74.24 110.899 -179.852 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -148.62 70.65 10.54 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.635 0.731 . . . . 52.14 110.894 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -40.72 4.96 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.666 2.244 . . . . 62.02 112.323 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.435 HD11 ' HB3' ' A' ' 59' ' ' GLN . 31.4 mm -51.03 -27.23 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 63.44 111.165 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' CYS . . . . . 1.063 ' SG ' 'ZN ' ' A' ' 202' ' ' ' ZN' . 7.6 m -51.06 -25.04 4.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 73.44 110.891 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.79 -39.05 93.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 75.44 110.918 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -117.13 117.06 37.22 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.587 0.708 . . . . 72.13 111.042 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 65.41 1.79 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.738 2.292 . . . . 65.42 112.306 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.419 ' HB2' ' HD2' ' A' ' 96' ' ' PRO . 1.5 p-90 -63.88 157.14 69.87 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.55 0.69 . . . . 72.32 110.923 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.419 ' HD2' ' HB2' ' A' ' 95' ' ' TRP . 53.1 Cg_endo -69.78 116.11 4.41 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.682 2.254 . . . . 74.21 112.327 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.545 ' CD2' HD12 ' A' ' 73' ' ' LEU . 3.9 mp -64.29 161.88 15.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 75.41 110.911 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -163.88 176.98 39.85 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.754 -0.736 . . . . 45.1 112.475 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -98.55 19.57 14.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.807 0.337 . . . . 52.12 111.09 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -58.14 97.78 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 73.42 110.903 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.77 160.92 13.01 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.623 0.725 . . . . 71.21 111.106 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.739 ' HA ' HD11 ' A' ' 55' ' ' LEU . 54.1 Cg_endo -69.73 160.6 49.11 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.694 2.263 . . . . 62.43 112.402 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.72 151.74 37.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.285 -0.416 . . . . 73.33 111.076 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.571 HD23 ' HB3' ' A' ' 53' ' ' GLN . 4.3 mm? . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 74.14 110.983 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . 1.063 'ZN ' ' SG ' ' A' ' 91' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 . . . . . 0 CA--C 1.526 0.054 0 CA-C-O 120.784 0.326 . . . . 74.54 110.867 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -107.92 159.15 16.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 73.31 110.88 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -137.24 134.48 36.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.218 -0.446 . . . . 71.44 110.876 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -176.83 133.2 0.2 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 64.25 110.938 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.609 ' HG3' HD11 ' A' ' 104' ' ' LEU . 5.3 pm0 -105.03 67.65 0.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 62.23 110.923 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -125.15 153.26 43.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.427 . . . . 75.03 110.914 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.511 HD11 ' N ' ' A' ' 103' ' ' ALA . 6.5 mt -112.9 -167.89 1.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 74.24 110.98 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -149.66 116.23 5.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 71.11 110.844 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.522 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 9.1 t -49.15 123.56 7.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 65.02 110.854 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 -78.47 -2.74 39.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 70.11 110.928 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.2 -20.12 11.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 74.12 110.958 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.522 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 17.5 m -111.6 -16.11 13.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 72.01 110.803 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 54.2 27.32 7.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 71.22 110.92 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -130.32 172.63 11.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 64.33 111.167 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -59.43 137.3 58.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.28 -0.418 . . . . 74.53 110.898 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -110.07 108.46 18.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 74.24 111.125 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt -64.76 -55.31 20.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 72.22 110.851 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.7 m -130.88 71.04 82.6 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.633 0.73 . . . . 71.52 110.864 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.502 ' CG ' HD12 ' A' ' 55' ' ' LEU . 53.5 Cg_endo -69.81 161.54 45.55 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.711 2.274 . . . . 74.22 112.341 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.562 ' HB2' HD21 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -136.16 156.02 49.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.425 . . . . 73.44 110.899 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.566 HD13 ' O ' ' A' ' 69' ' ' LEU . 1.0 OUTLIER -96.19 93.48 6.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 43.35 110.95 179.895 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.416 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 20.0 mt -50.57 162.14 0.57 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.619 0.723 . . . . 71.05 110.914 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.416 ' HD2' ' HB3' ' A' ' 70' ' ' LEU . 53.4 Cg_endo -69.78 -7.04 20.05 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.672 2.248 . . . . 73.5 112.321 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 61.4 m -103.86 16.13 27.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.252 -0.431 . . . . 71.12 110.894 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.766 HD12 HD12 ' A' ' 97' ' ' LEU . 7.6 mt 68.81 25.73 6.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 73.21 110.979 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -95.13 164.4 12.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 75.22 110.831 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.9 m -123.49 106.77 10.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 74.21 111.165 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.732 HD23 ' HB3' ' A' ' 80' ' ' CYS . 3.4 mp -116.99 171.47 7.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 51.52 110.941 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 28.9 p -98.28 162.67 13.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 71.55 110.941 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.24 -57.63 7.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 53.44 110.9 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -50.71 -32.67 25.55 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.766 -0.731 . . . . 43.32 112.465 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.732 ' HB3' HD23 ' A' ' 76' ' ' LEU . 1.2 m -71.72 -33.07 68.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.927 0.394 . . . . 74.13 110.918 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.657 HD13 ' HA ' ' A' ' 86' ' ' MET . 2.4 mm? -68.09 -42.66 80.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 74.23 110.913 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -80.94 -52.14 7.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 72.53 110.938 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.18 -55.76 19.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.491 . . . . 72.44 111.098 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.493 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.2 OUTLIER -86.4 18.36 3.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 72.32 110.917 -179.783 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.46 ' O ' ' CG ' ' A' ' 86' ' ' MET . . . 33.86 62.7 0.43 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.738 -0.744 . . . . 74.04 112.472 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.657 ' HA ' HD13 ' A' ' 81' ' ' LEU . 5.4 ptp 46.19 39.39 6.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.772 0.32 . . . . 53.03 110.836 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.493 ' HB2' ' O ' ' A' ' 84' ' ' SER . 1.7 mp0 -60.58 -167.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.247 -0.433 . . . . 74.24 110.888 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -137.62 69.79 52.54 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.624 0.726 . . . . 52.14 110.858 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.677 ' HG2' HD11 ' A' ' 76' ' ' LEU . 53.8 Cg_endo -69.7 -40.82 4.96 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.772 2.315 . . . . 62.02 112.328 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 14.5 mm -66.35 -15.04 18.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 63.44 111.133 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' CYS . . . . . 0.788 ' HG ' 'ZN ' ' A' ' 202' ' ' ' ZN' . 0.1 OUTLIER -75.26 -4.58 39.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 73.44 110.94 179.893 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -58.29 -33.84 69.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.19 -0.459 . . . . 75.44 110.932 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.417 ' HB1' ' HD2' ' A' ' 94' ' ' PRO . . . -139.11 155.3 72.71 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.567 0.699 . . . . 72.13 111.139 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.417 ' HD2' ' HB1' ' A' ' 93' ' ' ALA . 53.7 Cg_endo -69.66 63.06 1.73 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.653 2.236 . . . . 65.42 112.36 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.508 ' O ' HD23 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -71.83 161.08 80.61 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.589 0.709 . . . . 72.32 110.896 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 120.8 7.52 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.631 2.221 . . . . 74.21 112.305 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.766 HD12 HD12 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -107.05 -175.75 2.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 75.41 110.889 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.84 73.64 1.27 Allowed Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.707 -0.759 . . . . 45.1 112.444 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -173.41 57.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.755 0.312 . . . . 52.12 111.139 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -66.11 92.15 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 73.42 110.889 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.454 ' O ' HD21 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -142.55 70.76 20.88 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.632 0.729 . . . . 71.21 111.149 -179.87 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 155.63 65.32 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.72 2.28 . . . . 62.43 112.342 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.511 ' N ' HD11 ' A' ' 55' ' ' LEU . . . -73.15 97.81 2.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 73.33 111.106 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.609 HD11 ' HG3' ' A' ' 53' ' ' GLN . 5.4 mp . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 74.14 110.929 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . 0.788 'ZN ' ' HG ' ' A' ' 91' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.838 0.351 . . . . 74.54 110.92 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -105.46 174.55 5.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 73.31 110.899 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.42 153.08 5.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.164 -0.471 . . . . 71.44 110.911 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -105.39 117.2 33.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 64.25 110.866 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.531 ' HB3' HD22 ' A' ' 104' ' ' LEU . 44.2 tp60 -81.5 103.72 11.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 62.23 110.9 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -134.5 171.39 14.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 75.03 110.911 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.8 HD13 ' HB3' ' A' ' 64' ' ' ALA . 0.3 OUTLIER -103.08 -177.97 3.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.488 . . . . 74.24 110.897 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.411 ' HD3' ' HA ' ' A' ' 61' ' ' GLN . 7.5 tmm_? -150.67 127.24 10.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.167 -0.469 . . . . 71.11 110.883 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.539 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 9.8 t -53.48 122.66 10.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 65.02 110.914 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -78.03 1.72 20.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 70.11 110.923 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.499 ' HB3' HD11 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -119.11 -22.51 7.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 74.12 110.894 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.539 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 7.0 m -106.87 -25.12 11.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 72.01 110.9 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.411 ' HA ' ' HD3' ' A' ' 56' ' ' ARG . 39.8 mt-30 64.58 31.65 12.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 71.22 110.919 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -137.18 178.2 7.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 64.33 111.085 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -61.86 133.49 55.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 74.53 110.903 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.8 ' HB3' HD13 ' A' ' 55' ' ' LEU . . . -108.04 115.48 30.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 74.24 111.105 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 31.3 mtmm -73.0 -73.9 0.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 72.22 110.914 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.3 t -115.28 70.93 2.97 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.612 0.72 . . . . 71.52 110.827 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.476 ' HG3' ' CD1' ' A' ' 55' ' ' LEU . 53.2 Cg_endo -69.8 165.22 31.76 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.677 2.251 . . . . 74.22 112.342 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.445 ' HB2' HD21 ' A' ' 81' ' ' LEU . 6.4 mttt -139.61 155.81 47.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 73.44 110.909 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.484 HD11 ' HD3' ' A' ' 102' ' ' PRO . 17.8 mt -99.31 91.09 4.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.237 -0.438 . . . . 43.35 110.924 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.402 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 13.8 mt -48.56 161.46 0.4 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.64 0.733 . . . . 71.05 110.885 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.402 ' HD2' ' HB3' ' A' ' 70' ' ' LEU . 53.1 Cg_endo -69.86 -4.92 15.06 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.659 2.239 . . . . 73.5 112.339 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.6 ' C ' HD12 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -102.44 17.41 23.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 71.12 110.838 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.745 HD13 HD21 ' A' ' 97' ' ' LEU . 2.3 mp 65.72 32.91 8.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 73.21 110.919 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -103.77 164.56 11.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 75.22 110.854 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 90.5 m -128.33 104.15 7.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 74.21 111.195 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.807 HD23 ' HB3' ' A' ' 80' ' ' CYS . 5.2 mp -116.48 171.57 7.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 51.52 110.904 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.796 ' HG ' 'ZN ' ' A' ' 201' ' ' ' ZN' . 31.5 p -94.21 166.86 11.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 71.55 110.815 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 82.3 p -52.44 -57.85 8.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 53.44 110.831 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.48 -27.09 32.72 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.801 -0.714 . . . . 43.32 112.452 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.807 ' HB3' HD23 ' A' ' 76' ' ' LEU . 0.9 OUTLIER -74.52 -39.17 62.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.927 0.394 . . . . 74.13 110.877 -179.861 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.458 HD13 ' HA ' ' A' ' 86' ' ' MET . 1.4 mm? -62.91 -41.69 99.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 74.23 110.89 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -78.81 -52.92 7.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 72.53 110.859 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.67 -54.59 37.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 72.44 111.108 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 87' ' ' GLN . 0.9 OUTLIER -81.69 11.45 4.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 72.32 110.849 -179.84 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 39.54 46.23 2.76 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.721 -0.752 . . . . 74.04 112.525 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.458 ' HA ' HD13 ' A' ' 81' ' ' LEU . 0.8 OUTLIER 64.45 34.46 10.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.697 0.284 . . . . 53.03 110.884 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -61.99 -166.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 74.24 110.859 -179.908 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -136.49 69.79 60.55 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.637 0.732 . . . . 52.14 110.847 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.767 ' HG2' HD11 ' A' ' 76' ' ' LEU . 54.6 Cg_endo -69.69 -41.94 3.92 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.702 2.268 . . . . 62.02 112.347 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.499 HD11 ' HB3' ' A' ' 59' ' ' GLN . 18.2 mm -62.45 -16.42 16.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 63.44 111.196 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' CYS . . . . . 0.822 ' HG ' 'ZN ' ' A' ' 202' ' ' ' ZN' . 0.0 OUTLIER -70.65 -8.93 55.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 73.44 110.846 179.924 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -62.63 -39.65 94.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 75.44 110.947 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -119.73 141.22 30.74 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.56 0.695 . . . . 72.13 111.132 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 62.15 1.72 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.672 2.248 . . . . 65.42 112.355 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.48 159.63 22.92 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.525 0.679 . . . . 72.32 110.981 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 118.21 5.55 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.647 2.231 . . . . 74.21 112.353 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.745 HD21 HD13 ' A' ' 73' ' ' LEU . 1.8 mt -71.85 161.5 30.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 75.41 110.931 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 96.72 149.25 25.32 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.694 -0.765 . . . . 45.1 112.507 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 64.48 99.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.872 0.368 . . . . 52.12 111.098 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -160.29 111.69 1.93 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 73.42 110.856 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.547 HG22 ' HD2' ' A' ' 102' ' ' PRO . 0.0 OUTLIER -142.42 156.17 63.91 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.544 0.688 . . . . 71.21 111.154 -179.872 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.547 ' HD2' HG22 ' A' ' 101' ' ' THR . 53.9 Cg_endo -69.76 -169.63 0.34 Allowed 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.619 2.213 . . . . 62.43 112.384 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.443 ' HB2' ' CG ' ' A' ' 55' ' ' LEU . . . -87.23 152.4 22.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 73.33 111.112 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.531 HD22 ' HB3' ' A' ' 53' ' ' GLN . 10.9 mp . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 74.14 110.96 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . 0.796 'ZN ' ' HG ' ' A' ' 77' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . 0.822 'ZN ' ' HG ' ' A' ' 91' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.881 0.372 . . . . 74.54 110.879 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -91.22 141.51 28.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 73.31 110.873 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.0 mp0 -72.9 171.51 12.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 71.44 110.838 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 45.7 p90 -102.41 158.64 16.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 64.25 110.873 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 30.7 tp60 -52.48 115.25 1.68 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.485 . . . . 62.23 110.892 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -149.88 136.67 19.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.487 . . . . 75.03 110.871 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.716 ' HG ' ' HB2' ' A' ' 103' ' ' ALA . 46.0 mt -82.47 -178.98 7.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 74.24 110.936 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.1 tmm_? -144.0 116.57 8.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 71.11 110.911 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.535 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 9.2 t -49.48 123.82 8.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 65.02 110.875 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.462 ' C ' HD11 ' A' ' 90' ' ' ILE . 47.2 mm-40 -78.44 -4.18 47.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 70.11 110.847 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.62 -19.81 11.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 74.12 110.845 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.535 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 20.8 m -111.7 -14.83 13.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 72.01 110.895 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 51.38 30.13 5.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 71.22 110.896 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -131.47 169.6 15.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 64.33 111.097 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -57.95 123.34 15.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 74.53 110.885 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -94.65 108.71 20.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 74.24 111.047 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.48 -60.36 3.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 72.22 110.886 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.8 m -129.04 70.38 81.57 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.612 0.72 . . . . 71.52 110.909 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.466 ' HG2' HD12 ' A' ' 55' ' ' LEU . 53.7 Cg_endo -69.78 153.49 68.77 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.622 2.215 . . . . 74.22 112.337 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.436 ' HB2' HD21 ' A' ' 81' ' ' LEU . 6.1 mmmt -133.29 155.95 48.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 73.44 110.867 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 71.5 mt -83.2 157.05 22.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 43.35 110.922 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.762 HD13 ' HB2' ' A' ' 74' ' ' HIS . 0.2 OUTLIER -110.71 162.7 19.56 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.632 0.729 . . . . 71.05 110.898 179.917 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.565 ' HD2' HD23 ' A' ' 70' ' ' LEU . 53.6 Cg_endo -69.75 -8.23 23.08 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.687 2.258 . . . . 73.5 112.33 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 64.1 m -102.2 -79.5 0.52 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 71.12 110.908 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.709 ' CD2' HD22 ' A' ' 97' ' ' LEU . 2.1 pp 175.85 40.66 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 73.21 110.881 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.762 ' HB2' HD13 ' A' ' 70' ' ' LEU . 2.6 m-70 -122.32 164.06 18.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.478 . . . . 75.22 110.87 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 97.0 m -128.64 112.26 14.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 74.21 111.128 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.703 HD23 ' HB3' ' A' ' 80' ' ' CYS . 4.8 mp -109.36 171.64 7.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 51.52 110.885 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 28.9 p -95.94 163.51 13.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 71.55 110.937 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.58 -57.71 5.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 53.44 110.844 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -52.71 -31.1 37.17 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.702 -0.761 . . . . 43.32 112.471 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.703 ' HB3' HD23 ' A' ' 76' ' ' LEU . 1.2 m -73.94 -33.42 63.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.773 0.321 . . . . 74.13 110.814 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.628 HD13 ' HA ' ' A' ' 86' ' ' MET . 1.5 mm? -67.35 -41.73 84.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 74.23 110.908 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -80.92 -51.6 8.38 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.211 -0.45 . . . . 72.53 110.883 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.29 -55.95 17.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 72.44 111.08 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 85' ' ' GLY . 0.9 OUTLIER -85.06 15.02 4.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 72.32 110.808 -179.747 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.447 ' O ' ' CG ' ' A' ' 86' ' ' MET . . . 35.19 64.19 0.49 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.701 -0.762 . . . . 74.04 112.505 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.628 ' HA ' HD13 ' A' ' 81' ' ' LEU . 14.7 ptp 45.79 38.39 4.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.702 0.287 . . . . 53.03 110.913 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.705 ' O ' HD21 ' A' ' 70' ' ' LEU . 1.0 OUTLIER -60.47 -169.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 74.24 110.888 -179.893 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -137.76 67.83 50.79 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.583 0.706 . . . . 52.14 110.842 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.526 ' HG2' HD11 ' A' ' 76' ' ' LEU . 53.5 Cg_endo -69.77 -43.78 2.45 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.656 2.238 . . . . 62.02 112.322 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.462 HD11 ' C ' ' A' ' 58' ' ' GLN . 16.9 mm -69.09 -15.79 20.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.43 . . . . 63.44 111.049 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -53.96 -22.16 9.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 73.44 110.909 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 37.7 mm-40 -63.95 -15.07 58.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.064 -0.516 . . . . 75.44 110.906 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.415 ' HA ' ' HD2' ' A' ' 94' ' ' PRO . . . -114.74 92.03 27.99 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.561 0.696 . . . . 72.13 111.155 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 93' ' ' ALA . 54.0 Cg_endo -69.79 89.83 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.695 2.264 . . . . 65.42 112.364 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.452 ' HB2' ' HD2' ' A' ' 96' ' ' PRO . 1.7 p-90 -129.85 156.8 78.42 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.489 0.661 . . . . 72.32 110.963 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.452 ' HD2' ' HB2' ' A' ' 95' ' ' TRP . 54.5 Cg_endo -69.71 167.39 24.52 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.629 2.219 . . . . 74.21 112.384 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.709 HD22 ' CD2' ' A' ' 73' ' ' LEU . 1.8 pt? -139.18 175.88 9.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 75.41 110.929 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -154.81 -79.72 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.779 -0.724 . . . . 45.1 112.507 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -98.8 107.46 19.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.853 0.358 . . . . 52.12 111.113 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -118.0 110.47 17.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 73.42 110.881 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.574 HG22 ' HD2' ' A' ' 102' ' ' PRO . 0.0 OUTLIER -142.42 153.94 63.09 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.531 0.682 . . . . 71.21 111.159 -179.914 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.574 ' HD2' HG22 ' A' ' 101' ' ' THR . 53.8 Cg_endo -69.75 -169.79 0.35 Allowed 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.677 2.251 . . . . 62.43 112.374 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.716 ' HB2' ' HG ' ' A' ' 55' ' ' LEU . . . -113.53 92.82 4.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 73.33 111.136 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 74.14 110.877 -179.982 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.815 0.34 . . . . 74.54 110.872 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -111.68 162.04 15.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 73.31 110.876 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -59.81 -48.96 79.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 71.44 110.859 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -170.55 127.01 0.77 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 64.25 110.911 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -65.74 105.71 1.32 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 62.23 110.874 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -151.57 153.6 34.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 75.03 110.879 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.562 HD11 ' C ' ' A' ' 102' ' ' PRO . 8.1 mt -102.92 -168.83 1.57 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 74.24 110.871 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -146.39 116.07 7.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 71.11 110.847 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.521 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 9.6 t -48.96 120.55 3.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 65.02 110.89 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -76.98 0.74 20.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 70.11 110.889 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.5 -20.72 8.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.425 . . . . 74.12 110.913 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.521 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 11.5 m -110.41 -19.61 12.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 72.01 110.927 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 57.65 37.64 27.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.096 -0.502 . . . . 71.22 110.942 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -142.45 -179.99 6.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 64.33 111.059 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -66.62 130.15 42.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.271 -0.422 . . . . 74.53 110.913 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -107.67 111.3 23.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 74.24 111.113 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt -62.81 -67.77 0.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 72.22 110.832 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.3 m -118.03 71.74 8.52 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.637 0.732 . . . . 71.52 110.932 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.462 ' CG ' HD12 ' A' ' 55' ' ' LEU . 53.6 Cg_endo -69.8 149.15 66.24 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.728 2.286 . . . . 74.22 112.342 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.513 ' HB2' HD21 ' A' ' 81' ' ' LEU . 25.4 mmtm -123.97 156.59 36.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 73.44 110.822 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.664 HD12 ' HD3' ' A' ' 102' ' ' PRO . 1.6 mt -98.87 93.02 5.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 43.35 110.94 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.454 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 19.4 mt -47.58 163.45 0.27 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.643 0.735 . . . . 71.05 110.904 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.454 ' HD2' ' HB3' ' A' ' 70' ' ' LEU . 54.1 Cg_endo -69.75 -5.65 16.7 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.74 2.293 . . . . 73.5 112.337 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.418 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 76.6 m -104.63 14.82 29.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 71.12 110.944 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.795 HD12 ' CD2' ' A' ' 97' ' ' LEU . 7.4 mt 68.22 32.87 4.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 73.21 110.892 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.651 ' O ' HD23 ' A' ' 69' ' ' LEU . 4.5 m-70 -99.72 165.49 11.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 75.22 110.861 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 51.1 m -122.57 104.82 9.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 74.21 111.177 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.762 HD23 ' HB3' ' A' ' 80' ' ' CYS . 3.7 mp -117.8 171.74 7.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 51.52 110.853 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 28.9 p -98.92 164.61 12.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 71.55 110.899 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 78.5 p -52.3 -56.85 12.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 53.44 110.862 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -52.09 -30.28 30.56 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.73 -0.748 . . . . 43.32 112.55 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.762 ' HB3' HD23 ' A' ' 76' ' ' LEU . 1.1 m -72.6 -33.54 66.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.87 0.366 . . . . 74.13 110.872 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.613 HD13 ' HA ' ' A' ' 86' ' ' MET . 3.5 mm? -68.39 -42.76 78.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.1 -0.5 . . . . 74.23 110.894 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -78.67 -49.44 13.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 72.53 110.853 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.32 -54.33 30.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 72.44 111.138 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.536 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.8 OUTLIER -83.81 14.99 3.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 72.32 110.869 -179.861 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 37.97 47.64 1.9 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.731 -0.747 . . . . 74.04 112.523 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.613 ' HA ' HD13 ' A' ' 81' ' ' LEU . 17.5 mtt 65.34 35.35 7.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.742 0.306 . . . . 53.03 110.917 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.536 ' HB2' ' O ' ' A' ' 84' ' ' SER . 0.5 OUTLIER -61.12 -166.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 74.24 110.928 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -141.93 71.31 23.94 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.658 0.742 . . . . 52.14 110.865 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.723 ' HG2' HD11 ' A' ' 76' ' ' LEU . 53.6 Cg_endo -69.81 -42.53 3.27 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.685 2.256 . . . . 62.02 112.347 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 22.6 mm -62.31 -16.38 16.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 63.44 111.169 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' CYS . . . . . 0.758 ' SG ' 'ZN ' ' A' ' 202' ' ' ' ZN' . 0.0 OUTLIER -71.08 -8.03 50.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 73.44 110.908 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 48.4 mm-40 -72.48 -39.74 67.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 75.44 110.887 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -114.94 140.29 25.34 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.567 0.699 . . . . 72.13 111.098 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 57.96 1.54 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.618 2.212 . . . . 65.42 112.391 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -54.28 160.98 2.16 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.555 0.693 . . . . 72.32 110.946 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.68 114.19 3.61 Favored 'Trans proline' 0 C--O 1.233 0.247 0 C-N-CA 122.699 2.266 . . . . 74.21 112.37 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.795 ' CD2' HD12 ' A' ' 73' ' ' LEU . 1.0 OUTLIER -62.57 146.02 52.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.317 -0.401 . . . . 75.41 110.884 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -167.59 -179.65 40.48 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.735 -0.745 . . . . 45.1 112.515 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -105.57 24.05 12.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.8 0.333 . . . . 52.12 111.149 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -50.78 103.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 73.42 110.962 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.74 160.07 81.37 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.597 0.713 . . . . 71.21 111.106 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.664 ' HD3' HD12 ' A' ' 69' ' ' LEU . 53.8 Cg_endo -69.71 -175.91 1.3 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.685 2.257 . . . . 62.43 112.351 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.498 ' N ' HD11 ' A' ' 55' ' ' LEU . . . -94.96 151.83 18.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 73.33 111.107 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 5.4 mp . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 74.14 110.987 179.974 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . 0.758 'ZN ' ' SG ' ' A' ' 91' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.1 tmm_? . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.838 0.352 . . . . 71.11 110.869 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.546 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 8.4 t -49.73 121.71 5.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 65.02 110.879 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -77.29 1.44 18.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.472 . . . . 70.11 110.937 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.495 ' HB3' HD11 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -118.8 -23.6 6.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 74.12 110.909 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.546 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 9.6 m -106.04 -24.46 12.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 72.01 110.911 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 63.25 35.99 12.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 71.22 110.89 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -141.44 179.62 6.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 64.33 111.141 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -64.91 131.3 46.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 74.53 110.9 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.54 110.47 22.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 74.24 111.087 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 38.7 mtmt -63.17 -53.0 60.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 72.22 110.912 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.6 m -136.66 69.97 59.33 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.658 0.742 . . . . 71.52 110.897 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 153.68 68.78 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.692 2.261 . . . . 74.22 112.317 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.509 ' HG3' HD22 ' A' ' 81' ' ' LEU . 26.3 mmtt -138.98 156.56 47.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 73.44 110.924 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 32.5 mt -90.42 97.22 11.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 43.35 110.902 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.607 HD11 HD22 ' A' ' 76' ' ' LEU . 20.2 mt -47.87 161.38 0.36 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.602 0.715 . . . . 71.05 110.936 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.83 -6.96 19.88 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.689 2.259 . . . . 73.5 112.298 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.19 15.85 28.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 71.12 110.885 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.9 mt 67.63 43.72 1.8 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 73.21 110.936 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -120.49 163.99 17.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 75.22 110.886 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.7 m -117.02 114.07 23.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 74.21 111.173 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.776 HD23 ' HB3' ' A' ' 80' ' ' CYS . 4.2 mp -126.75 172.29 10.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 51.52 110.945 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 30.7 p -98.74 162.45 13.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 71.55 110.85 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.45 -56.33 11.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 53.44 110.869 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.25 -28.09 41.62 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.711 -0.757 . . . . 43.32 112.471 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.776 ' HB3' HD23 ' A' ' 76' ' ' LEU . 0.8 OUTLIER -71.78 -35.11 69.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.865 0.364 . . . . 74.13 110.866 -179.915 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.509 HD22 ' HG3' ' A' ' 68' ' ' LYS . 1.1 mp -70.02 -40.31 75.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 74.23 110.905 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -78.54 -47.51 17.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 72.53 110.922 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.26 -54.63 11.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 72.44 111.076 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.423 ' CB ' ' HB2' ' A' ' 87' ' ' GLN . 0.1 OUTLIER -83.58 13.52 4.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 72.32 110.838 -179.744 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 40.02 46.36 3.19 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.738 -0.744 . . . . 74.04 112.504 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 5.2 mtp 63.43 36.18 11.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.709 0.29 . . . . 53.03 110.851 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.423 ' HB2' ' CB ' ' A' ' 84' ' ' SER . 0.5 OUTLIER -61.78 -167.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 74.24 110.895 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -137.58 70.7 52.41 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.648 0.737 . . . . 52.14 110.921 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.625 ' HG2' HD11 ' A' ' 76' ' ' LEU . 53.7 Cg_endo -69.75 -40.66 5.07 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.622 2.215 . . . . 62.02 112.352 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.495 HD11 ' HB3' ' A' ' 59' ' ' GLN . 18.9 mm . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 63.44 111.14 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.9 tmm_? . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.934 0.397 . . . . 71.11 110.903 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.517 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 9.2 t -50.44 120.32 4.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 65.02 110.834 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -76.76 0.99 18.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 70.11 110.878 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.88 -20.93 8.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 74.12 110.841 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.517 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 14.9 m -110.65 -17.74 13.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 72.01 110.826 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 55.85 37.12 28.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 71.22 110.902 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -141.76 178.96 7.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 64.33 111.13 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -66.88 129.55 40.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 74.53 110.867 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -106.08 112.04 24.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 74.24 111.052 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.6 mtmm -64.24 -63.9 1.02 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 72.22 110.873 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.5 m -120.23 71.21 16.76 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.59 0.709 . . . . 71.52 110.856 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 150.67 68.63 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.695 2.263 . . . . 74.22 112.376 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.453 ' HB2' HD21 ' A' ' 81' ' ' LEU . 4.6 mtpt -126.17 156.36 40.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 73.44 110.931 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.403 HD23 ' O ' ' A' ' 74' ' ' HIS . 5.5 mt -97.29 94.64 7.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 43.35 110.96 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.419 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 19.9 mt -49.13 162.44 0.39 Allowed Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.599 0.714 . . . . 71.05 110.89 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.419 ' HD2' ' HB3' ' A' ' 70' ' ' LEU . 53.6 Cg_endo -69.79 -6.91 19.73 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.671 2.247 . . . . 73.5 112.307 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 69.6 m -103.73 14.62 30.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 71.12 110.86 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.1 mt 68.42 34.23 3.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 73.21 110.942 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.403 ' O ' HD23 ' A' ' 69' ' ' LEU . 4.8 m-70 -102.27 165.05 11.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 75.22 110.929 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 56.4 m -119.74 107.77 13.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.281 -0.418 . . . . 74.21 111.127 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.746 HD23 ' HB3' ' A' ' 80' ' ' CYS . 2.8 mp -120.35 171.58 8.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 51.52 110.927 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 30.0 p -99.7 162.43 13.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 71.55 110.862 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -51.67 -55.54 18.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 53.44 110.858 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -52.67 -29.16 32.13 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.766 -0.731 . . . . 43.32 112.522 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.746 ' HB3' HD23 ' A' ' 76' ' ' LEU . 1.1 m -73.82 -33.5 64.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.91 0.386 . . . . 74.13 110.896 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.475 HD13 ' HA ' ' A' ' 86' ' ' MET . 1.6 mm? -67.21 -43.44 82.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 74.23 110.896 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -78.49 -49.64 13.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 72.53 110.901 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.47 -54.34 34.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 72.44 111.154 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.522 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.8 OUTLIER -83.88 13.47 4.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 72.32 110.816 -179.806 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 39.1 46.87 2.51 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.762 -0.733 . . . . 74.04 112.534 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.475 ' HA ' HD13 ' A' ' 81' ' ' LEU . 1.6 mtt 66.31 35.8 5.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.69 0.281 . . . . 53.03 110.849 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.522 ' HB2' ' O ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -62.56 -166.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 74.24 110.916 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.34 71.95 21.73 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.651 0.738 . . . . 52.14 110.936 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.712 ' HG2' HD11 ' A' ' 76' ' ' LEU . 53.4 Cg_endo -69.81 -42.29 3.48 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.704 2.269 . . . . 62.02 112.305 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.1 mm . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 63.44 111.175 179.92 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.9 tmm_? . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.877 0.37 . . . . 71.11 110.88 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.527 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 9.6 t -50.81 120.35 4.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 65.02 110.903 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -76.89 1.21 18.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.138 -0.483 . . . . 70.11 110.921 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.486 ' HB3' HD11 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -117.74 -20.68 8.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.443 . . . . 74.12 110.938 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.527 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 8.1 m -110.11 -21.49 12.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 72.01 110.853 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 60.04 36.31 21.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 71.22 110.965 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -142.14 178.96 7.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 64.33 111.138 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -65.06 131.28 46.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.316 -0.402 . . . . 74.53 110.882 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -108.44 111.75 23.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 74.24 111.091 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -64.3 -66.32 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 72.22 110.964 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.3 m -117.54 70.47 6.58 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.616 0.722 . . . . 71.52 110.944 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 148.57 65.86 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.691 2.26 . . . . 74.22 112.349 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.548 ' HB2' HD21 ' A' ' 81' ' ' LEU . 33.6 mmtp -122.61 156.09 34.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 73.44 110.838 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 49.0 mt -99.87 92.6 5.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 43.35 110.909 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.408 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 20.1 mt -49.09 161.61 0.43 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.56 0.695 . . . . 71.05 110.916 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.408 ' HD2' ' HB3' ' A' ' 70' ' ' LEU . 53.7 Cg_endo -69.78 -6.81 19.49 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.725 2.283 . . . . 73.5 112.354 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.523 ' O ' HD12 ' A' ' 73' ' ' LEU . 98.9 m -101.7 13.43 34.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 71.12 110.846 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.523 HD12 ' O ' ' A' ' 72' ' ' CYS . 0.5 OUTLIER 69.6 32.28 3.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 73.21 110.939 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -100.84 164.53 11.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.198 -0.455 . . . . 75.22 110.844 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.1 m -122.49 105.46 10.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 74.21 111.185 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.714 HD23 ' HB3' ' A' ' 80' ' ' CYS . 2.8 mp -116.57 171.67 7.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 51.52 110.913 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 29.5 p -100.69 158.77 15.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 71.55 110.912 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.94 -54.3 16.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 53.44 110.844 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.27 -30.31 39.61 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.766 -0.731 . . . . 43.32 112.467 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.714 ' HB3' HD23 ' A' ' 76' ' ' LEU . 1.1 m -74.15 -32.9 63.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.897 0.379 . . . . 74.13 110.887 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.586 HD13 ' HA ' ' A' ' 86' ' ' MET . 3.4 mm? -67.26 -43.22 82.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 74.23 110.888 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -78.67 -46.45 19.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 72.53 110.939 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.34 -53.88 25.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 72.44 111.067 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.47 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.1 OUTLIER -83.69 13.75 4.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 72.32 110.841 -179.779 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 40.02 46.57 3.23 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.769 -0.729 . . . . 74.04 112.443 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.586 ' HA ' HD13 ' A' ' 81' ' ' LEU . 14.5 mtm 64.9 36.42 7.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.691 0.281 . . . . 53.03 110.875 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.47 ' HB2' ' O ' ' A' ' 84' ' ' SER . 0.9 OUTLIER -63.7 -165.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 74.24 110.897 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -143.71 71.63 17.25 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.61 0.719 . . . . 52.14 110.834 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.598 ' HG2' HD11 ' A' ' 76' ' ' LEU . 53.3 Cg_endo -69.84 -41.39 4.22 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.597 2.198 . . . . 62.02 112.369 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.486 HD11 ' HB3' ' A' ' 59' ' ' GLN . 17.8 mm . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.438 . . . . 63.44 111.099 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.0 tmm_? . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.912 0.387 . . . . 71.11 110.849 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.548 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 8.8 t -51.51 122.22 7.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 65.02 110.882 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -77.48 1.23 19.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 70.11 110.942 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.408 ' HB3' HD11 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -118.76 -21.27 7.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.455 . . . . 74.12 110.915 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.548 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 8.8 m -108.92 -24.1 11.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 72.01 110.917 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 63.19 36.62 11.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 71.22 110.926 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -141.97 178.05 7.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 64.33 111.092 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -64.32 130.58 44.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 74.53 110.958 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.54 108.42 19.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 74.24 111.125 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.4 mtmm -63.82 -60.72 2.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 72.22 110.94 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.6 m -125.46 70.9 64.55 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.57 0.7 . . . . 71.52 110.864 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 151.68 69.48 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.678 2.252 . . . . 74.22 112.334 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.534 ' HB2' HD21 ' A' ' 81' ' ' LEU . 6.2 mmtt -126.89 156.45 41.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 73.44 110.95 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.5 mp -95.21 93.78 7.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 43.35 110.858 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.452 HD12 ' HB2' ' A' ' 74' ' ' HIS . 19.8 mt -48.36 161.66 0.38 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.682 0.753 . . . . 71.05 110.888 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -7.47 21.12 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.693 2.262 . . . . 73.5 112.347 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.404 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 67.8 m -103.97 15.64 28.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 71.12 110.935 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.9 mt 69.31 26.53 5.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.071 -0.513 . . . . 73.21 110.916 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.452 ' HB2' HD12 ' A' ' 70' ' ' LEU . 4.3 m-70 -96.28 164.79 12.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.265 -0.425 . . . . 75.22 110.871 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 24.0 m -120.6 111.0 17.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 74.21 111.131 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.742 HD23 ' HB3' ' A' ' 80' ' ' CYS . 2.8 mp -122.38 171.95 8.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 51.52 110.89 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 31.1 p -99.06 160.64 14.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 71.55 110.889 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.59 -54.79 19.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 53.44 110.838 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.09 -29.18 35.32 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.826 -0.702 . . . . 43.32 112.49 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.742 ' HB3' HD23 ' A' ' 76' ' ' LEU . 1.1 m -74.77 -33.96 62.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.856 0.36 . . . . 74.13 110.835 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.585 HD12 ' HG2' ' A' ' 86' ' ' MET . 2.9 mm? -66.68 -42.41 86.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 74.23 110.961 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -79.3 -49.66 12.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 72.53 110.901 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.39 -53.82 42.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 72.44 111.075 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.518 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.8 OUTLIER -83.32 13.2 4.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 72.32 110.815 -179.734 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 39.52 46.17 2.74 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.763 -0.732 . . . . 74.04 112.481 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.585 ' HG2' HD12 ' A' ' 81' ' ' LEU . 5.0 mtp 67.09 36.28 4.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.693 0.282 . . . . 53.03 110.865 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.518 ' HB2' ' O ' ' A' ' 84' ' ' SER . 0.6 OUTLIER -63.46 -166.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 74.24 110.893 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -142.95 71.87 18.79 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.642 0.734 . . . . 52.14 110.906 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.732 ' HG2' HD11 ' A' ' 76' ' ' LEU . 53.6 Cg_endo -69.84 -41.84 3.83 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.639 2.226 . . . . 62.02 112.335 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.408 HD11 ' HB3' ' A' ' 59' ' ' GLN . 18.5 mm . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 63.44 111.159 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.822 0.344 . . . . 71.11 110.889 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.521 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 10.2 t -50.5 119.11 3.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 65.02 110.839 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -76.33 1.73 15.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 70.11 110.983 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.423 ' HB3' HD11 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -117.81 -20.97 8.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 74.12 110.949 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.521 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 8.7 m -109.63 -24.07 11.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 72.01 110.853 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 63.06 37.81 11.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 71.22 110.838 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -144.34 179.27 7.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.292 -0.413 . . . . 64.33 111.091 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -66.84 128.98 38.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 74.53 110.921 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -105.93 112.77 25.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 74.24 111.152 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.86 -66.47 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 72.22 110.939 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.5 m -117.36 71.08 6.38 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.624 0.726 . . . . 71.52 110.893 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 147.8 64.13 Favored 'Trans proline' 0 N--CA 1.465 -0.196 0 C-N-CA 122.742 2.295 . . . . 74.22 112.404 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.452 ' HB2' HD21 ' A' ' 81' ' ' LEU . 21.0 mmtm -123.59 156.25 36.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 73.44 110.876 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.424 HD13 ' O ' ' A' ' 74' ' ' HIS . 1.9 mm? -97.51 95.87 7.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 43.35 110.907 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.413 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 19.9 mt -49.09 162.45 0.39 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.648 0.737 . . . . 71.05 110.919 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.413 ' HD2' ' HB3' ' A' ' 70' ' ' LEU . 53.8 Cg_endo -69.73 -6.28 18.2 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.697 2.264 . . . . 73.5 112.329 179.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 86.5 m -104.34 12.68 33.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 71.12 110.851 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.5 mt 70.34 34.52 2.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 73.21 110.869 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.424 ' O ' HD13 ' A' ' 69' ' ' LEU . 4.5 m-70 -102.55 164.7 11.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 75.22 110.894 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.0 m -118.53 110.16 17.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 74.21 111.159 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.729 HD23 ' HB3' ' A' ' 80' ' ' CYS . 2.6 mp -122.84 171.19 9.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.256 -0.429 . . . . 51.52 110.901 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 30.0 p -99.95 160.78 14.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 71.55 110.829 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.76 -54.9 19.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 53.44 110.853 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.1 -29.4 35.96 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.756 -0.735 . . . . 43.32 112.506 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.729 ' HB3' HD23 ' A' ' 76' ' ' LEU . 1.0 OUTLIER -73.71 -34.03 64.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.91 0.386 . . . . 74.13 110.835 -179.843 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.517 HD13 ' HA ' ' A' ' 86' ' ' MET . 1.4 mm? -66.29 -43.69 85.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 74.23 110.916 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -77.68 -48.34 16.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 72.53 110.804 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.51 -54.26 30.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 72.44 111.07 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.511 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.9 OUTLIER -83.06 12.55 4.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 72.32 110.845 -179.775 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 39.62 45.59 2.72 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.762 -0.733 . . . . 74.04 112.536 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.517 ' HA ' HD13 ' A' ' 81' ' ' LEU . 1.3 mtm 67.94 36.04 3.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.784 0.326 . . . . 53.03 110.877 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.511 ' HB2' ' O ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -63.85 -165.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.268 -0.423 . . . . 74.24 110.928 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -143.11 72.01 18.34 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.657 0.741 . . . . 52.14 110.92 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.72 ' HG2' HD11 ' A' ' 76' ' ' LEU . 53.9 Cg_endo -69.8 -42.37 3.42 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.625 2.216 . . . . 62.02 112.342 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.423 HD11 ' HB3' ' A' ' 59' ' ' GLN . 18.5 mm . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 63.44 111.188 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.869 0.366 . . . . 71.11 110.851 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.541 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 9.2 t -52.86 122.91 10.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 65.02 110.854 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -77.4 1.58 18.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 70.11 110.916 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.511 ' HB3' HD11 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -119.58 -22.49 6.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 74.12 110.873 -179.917 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.541 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 10.3 m -108.06 -24.04 11.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 72.01 110.889 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 63.9 34.91 11.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 71.22 110.919 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -140.95 178.9 7.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 64.33 111.096 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -63.59 131.35 47.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 74.53 110.925 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -107.13 107.2 18.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 74.24 111.074 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.7 mtmt -61.97 -70.99 0.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 72.22 110.915 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.6 m -116.5 71.56 4.92 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.537 0.684 . . . . 71.52 110.869 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.74 163.92 36.45 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.657 2.238 . . . . 74.22 112.408 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.454 ' HB2' HD21 ' A' ' 81' ' ' LEU . 1.2 mmmp? -138.41 156.06 47.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.289 -0.414 . . . . 73.44 110.954 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.9 95.62 8.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.275 -0.421 . . . . 43.35 110.922 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.415 HD12 ' HB2' ' A' ' 74' ' ' HIS . 19.8 mt -50.45 161.86 0.58 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.541 0.686 . . . . 71.05 110.955 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.401 ' HD2' ' HB3' ' A' ' 70' ' ' LEU . 54.3 Cg_endo -69.73 -7.38 20.91 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.647 2.231 . . . . 73.5 112.36 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 68.2 m -102.98 15.26 29.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 71.12 110.899 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.3 mt 71.58 21.36 4.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 73.21 110.911 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.415 ' HB2' HD12 ' A' ' 70' ' ' LEU . 4.3 m-70 -92.9 165.02 13.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 75.22 110.872 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -125.25 112.14 16.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 74.21 111.129 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.81 HD23 ' HB3' ' A' ' 80' ' ' CYS . 4.0 mp -120.33 171.75 8.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 51.52 110.891 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 30.1 p -96.83 166.64 11.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 71.55 110.847 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 63.5 p -53.9 -56.8 14.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 53.44 110.821 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -52.83 -27.74 29.55 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.688 -0.767 . . . . 43.32 112.517 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.81 ' HB3' HD23 ' A' ' 76' ' ' LEU . 1.1 m -74.4 -35.49 63.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.844 0.354 . . . . 74.13 110.862 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.505 HD13 ' HA ' ' A' ' 86' ' ' MET . 1.8 mm? -66.22 -42.73 88.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 74.23 110.855 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -78.25 -52.17 9.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 72.53 110.882 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.37 -54.37 41.34 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.159 -0.473 . . . . 72.44 111.12 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.524 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.1 OUTLIER -83.98 12.09 6.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 72.32 110.83 -179.792 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 38.86 47.24 2.39 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.724 -0.751 . . . . 74.04 112.531 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.505 ' HA ' HD13 ' A' ' 81' ' ' LEU . 1.6 mtm 66.54 35.86 5.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.675 0.274 . . . . 53.03 110.902 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.524 ' HB2' ' O ' ' A' ' 84' ' ' SER . 0.6 OUTLIER -63.12 -165.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 74.24 110.847 -179.886 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -141.24 71.93 27.04 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.645 0.736 . . . . 52.14 110.93 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.681 ' HG2' HD11 ' A' ' 76' ' ' LEU . 53.6 Cg_endo -69.79 -41.37 4.29 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.673 2.249 . . . . 62.02 112.31 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.511 HD11 ' HB3' ' A' ' 59' ' ' GLN . 16.3 mm . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 63.44 111.107 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.3 tmm_? . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.82 0.343 . . . . 71.11 110.903 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.541 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 9.1 t -49.67 121.57 5.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 65.02 110.828 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -77.43 0.88 20.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 70.11 110.89 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.461 ' HB3' HD11 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -117.61 -21.71 8.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 74.12 110.878 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.541 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 7.3 m -108.39 -24.47 11.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 72.01 110.812 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 63.44 35.15 12.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.226 -0.443 . . . . 71.22 110.843 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -141.24 178.42 7.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 64.33 111.131 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -63.26 133.46 54.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.237 -0.438 . . . . 74.53 110.903 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -107.94 108.88 20.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 74.24 111.149 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt -64.44 -62.88 1.32 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 72.22 110.872 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.3 m -122.29 70.23 32.48 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.586 0.707 . . . . 71.52 110.897 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 151.49 68.77 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.689 2.259 . . . . 74.22 112.28 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.552 ' HB2' HD21 ' A' ' 81' ' ' LEU . 8.1 mtpp -126.74 156.12 41.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 73.44 110.918 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 28.3 mt -96.62 92.43 6.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 43.35 110.936 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.419 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 19.6 mt -47.73 162.42 0.31 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.605 0.717 . . . . 71.05 110.858 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.419 ' HD2' ' HB3' ' A' ' 70' ' ' LEU . 54.1 Cg_endo -69.65 -6.79 19.39 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.697 2.265 . . . . 73.5 112.354 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 75.9 m -103.77 15.29 29.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 71.12 110.93 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.1 mt 67.9 31.54 5.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 73.21 110.904 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -99.8 164.63 11.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.295 -0.411 . . . . 75.22 110.839 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 41.9 m -120.28 105.74 11.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 74.21 111.14 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.73 HD23 ' HB3' ' A' ' 80' ' ' CYS . 2.7 mp -117.73 171.44 8.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 51.52 110.898 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 30.3 p -99.92 160.42 14.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 71.55 110.926 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.06 -55.21 15.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 53.44 110.886 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -52.69 -29.67 33.48 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.704 -0.76 . . . . 43.32 112.482 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.73 ' HB3' HD23 ' A' ' 76' ' ' LEU . 1.1 m -74.53 -33.72 62.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.904 0.383 . . . . 74.13 110.872 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.599 HD12 ' HG2' ' A' ' 86' ' ' MET . 3.0 mm? -66.65 -43.15 85.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 74.23 110.911 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -78.38 -50.27 12.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 72.53 110.835 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.39 -53.55 50.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.135 -0.484 . . . . 72.44 111.069 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.542 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.1 OUTLIER -84.87 13.25 6.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 72.32 110.823 -179.719 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 38.52 48.24 2.28 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.744 -0.741 . . . . 74.04 112.517 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.599 ' HG2' HD12 ' A' ' 81' ' ' LEU . 25.2 mtm 65.78 35.97 6.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.794 0.331 . . . . 53.03 110.924 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.542 ' HB2' ' O ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -63.37 -165.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 74.24 110.905 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -143.06 72.65 18.37 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.639 0.733 . . . . 52.14 110.88 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.672 ' HG2' HD11 ' A' ' 76' ' ' LEU . 53.5 Cg_endo -69.75 -40.66 5.07 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.687 2.258 . . . . 62.02 112.3 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.461 HD11 ' HB3' ' A' ' 59' ' ' GLN . 15.3 mm . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 63.44 111.19 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.851 0.358 . . . . 71.11 110.856 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.557 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 9.1 t -60.81 123.91 18.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 65.02 110.845 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 23.4 mm100 -77.5 1.29 19.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 70.11 110.886 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.619 ' HB3' HD11 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -119.62 -22.86 6.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 74.12 110.914 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.557 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 10.6 m -107.64 -23.72 12.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 72.01 110.918 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 63.68 36.51 10.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 71.22 110.893 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -142.99 177.44 8.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 64.33 111.127 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -62.11 131.46 49.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 74.53 110.844 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -108.35 107.52 18.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.472 . . . . 74.24 111.11 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.7 mtmt -62.64 -71.18 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 72.22 110.875 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.6 m -114.08 71.91 2.15 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.619 0.723 . . . . 71.52 110.866 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.72 163.05 39.68 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.714 2.276 . . . . 74.22 112.325 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.442 ' HB2' HD21 ' A' ' 81' ' ' LEU . 45.8 mmtm -139.5 156.07 47.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.188 -0.46 . . . . 73.44 110.85 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.2 mt -94.69 114.04 25.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 43.35 110.915 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.528 HD21 HD13 ' A' ' 76' ' ' LEU . 4.6 mm? -50.86 161.23 0.69 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.605 0.717 . . . . 71.05 110.946 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.417 ' HD2' HD12 ' A' ' 70' ' ' LEU . 53.8 Cg_endo -69.74 -7.9 22.23 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.692 2.261 . . . . 73.5 112.312 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.48 ' O ' HD23 ' A' ' 73' ' ' LEU . 3.8 m -106.39 -71.38 0.75 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 71.12 110.942 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.48 HD23 ' O ' ' A' ' 72' ' ' CYS . 0.3 OUTLIER 175.14 55.25 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 73.21 110.92 179.92 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -133.97 165.39 25.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 75.22 110.898 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.0 m -125.03 117.28 23.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 74.21 111.145 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.785 HD23 ' HB3' ' A' ' 80' ' ' CYS . 2.9 mp -119.86 172.09 7.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 51.52 110.931 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 31.5 p -97.82 160.86 14.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 71.55 110.884 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.07 -53.99 28.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 53.44 110.921 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.71 -28.65 38.97 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.768 -0.729 . . . . 43.32 112.463 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.785 ' HB3' HD23 ' A' ' 76' ' ' LEU . 1.1 m -74.66 -32.88 62.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.908 0.385 . . . . 74.13 110.922 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.643 HD13 ' HA ' ' A' ' 86' ' ' MET . 0.9 OUTLIER -67.27 -43.34 82.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 74.23 110.941 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -78.15 -44.15 26.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 72.53 110.85 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.93 -52.81 31.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 72.44 111.14 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.565 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.7 OUTLIER -83.16 14.83 3.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 72.32 110.887 -179.849 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 39.8 44.5 2.63 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.722 -0.752 . . . . 74.04 112.438 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.643 ' HA ' HD13 ' A' ' 81' ' ' LEU . 0.2 OUTLIER 69.15 36.74 2.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.658 0.266 . . . . 53.03 110.833 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.565 ' HB2' ' O ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -68.74 -163.71 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.302 -0.408 . . . . 74.24 110.901 -179.918 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -152.58 72.19 7.43 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.574 0.702 . . . . 52.14 110.858 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 -37.87 8.52 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.718 2.278 . . . . 62.02 112.299 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.619 HD11 ' HB3' ' A' ' 59' ' ' GLN . 21.7 mm . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 63.44 111.154 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.87 0.367 . . . . 71.11 110.846 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.514 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 10.2 t -49.84 119.35 3.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 65.02 110.913 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 23.7 mm100 -76.5 0.89 18.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 70.11 110.883 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.81 -20.86 9.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 74.12 110.901 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.514 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 7.2 m -109.44 -24.69 10.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 72.01 110.942 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 63.68 37.16 10.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 71.22 110.921 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -142.63 177.9 7.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 64.33 111.07 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.49 132.61 53.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 74.53 110.827 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -110.73 109.51 19.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 74.24 111.09 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.82 -67.78 0.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 72.22 110.826 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.425 ' HB3' ' HB2' ' A' ' 78' ' ' SER . 0.9 OUTLIER -118.6 71.74 10.08 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.632 0.73 . . . . 71.52 110.84 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 141.81 46.45 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.736 2.29 . . . . 74.22 112.32 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.551 ' HB2' HD21 ' A' ' 81' ' ' LEU . 14.3 mmmm -116.11 156.23 26.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 73.44 110.947 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.494 HD23 ' O ' ' A' ' 74' ' ' HIS . 5.0 mt -98.7 94.8 6.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.212 -0.449 . . . . 43.35 110.959 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.414 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 19.7 mt -47.65 162.39 0.31 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.657 0.742 . . . . 71.05 110.943 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.414 ' HD2' ' HB3' ' A' ' 70' ' ' LEU . 54.0 Cg_endo -69.75 -6.39 18.49 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.72 2.28 . . . . 73.5 112.371 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 81.5 m -103.82 14.0 31.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 71.12 110.865 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.3 mt 69.08 33.61 3.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 73.21 110.873 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.494 ' O ' HD23 ' A' ' 69' ' ' LEU . 4.5 m-70 -101.93 164.76 11.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 75.22 110.874 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 94.8 m -119.55 113.61 20.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.296 -0.411 . . . . 74.21 111.161 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.741 HD11 ' HG2' ' A' ' 89' ' ' PRO . 3.0 mp -126.26 171.75 10.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 51.52 110.898 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 27.8 p -100.46 161.01 13.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 71.55 110.862 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.425 ' HB2' ' HB3' ' A' ' 66' ' ' CYS . 0.0 OUTLIER -50.29 -54.31 22.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 53.44 110.823 -179.799 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.42 -31.91 44.2 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.753 -0.737 . . . . 43.32 112.49 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.735 ' HB3' HD23 ' A' ' 76' ' ' LEU . 1.1 m -71.4 -33.47 69.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.837 0.351 . . . . 74.13 110.866 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.588 HD13 ' HA ' ' A' ' 86' ' ' MET . 2.9 mm? -66.52 -43.4 85.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 74.23 110.909 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -79.54 -48.97 12.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 72.53 110.873 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.03 -55.44 16.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 72.44 111.11 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.43 ' CB ' ' HB2' ' A' ' 87' ' ' GLN . 0.8 OUTLIER -81.82 13.31 3.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 72.32 110.89 -179.806 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 40.62 46.58 3.74 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 74.04 112.432 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.588 ' HA ' HD13 ' A' ' 81' ' ' LEU . 0.3 OUTLIER 62.8 35.45 13.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.705 0.288 . . . . 53.03 110.9 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.43 ' HB2' ' CB ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -61.98 -168.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 74.24 110.906 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -137.9 70.01 50.36 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.639 0.733 . . . . 52.14 110.844 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.741 ' HG2' HD11 ' A' ' 76' ' ' LEU . 52.8 Cg_endo -69.84 -42.38 3.37 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.678 2.252 . . . . 62.02 112.269 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 30.2 mm . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 63.44 111.177 179.91 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.0 tmm_? . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.868 0.366 . . . . 71.11 110.822 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.532 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 8.9 t -51.74 121.77 7.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 65.02 110.895 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -76.73 -1.03 25.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 70.11 110.937 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.7 -20.55 9.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 74.12 110.854 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.532 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 14.9 m -111.43 -14.27 13.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 72.01 110.863 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 52.09 38.84 25.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 71.22 110.944 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -141.9 179.47 6.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 64.33 111.039 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -62.96 134.61 56.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.135 -0.484 . . . . 74.53 110.87 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -113.51 108.06 16.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 74.24 111.12 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 42.3 mtmt -63.9 -68.73 0.33 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 72.22 110.956 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.3 m -115.8 70.97 3.69 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.662 0.744 . . . . 71.52 110.868 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 152.59 69.43 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.722 2.281 . . . . 74.22 112.355 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.534 ' HB2' HD21 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -125.6 156.07 39.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 73.44 110.901 179.872 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 66.5 mt -101.98 91.46 4.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 43.35 110.895 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.442 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 19.9 mt -48.75 162.55 0.36 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.68 0.753 . . . . 71.05 110.904 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.442 ' HD2' ' HB3' ' A' ' 70' ' ' LEU . 54.1 Cg_endo -69.69 -7.0 19.92 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.692 2.261 . . . . 73.5 112.357 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 84.1 m -101.52 13.04 36.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 71.12 110.947 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.3 mt 69.79 33.72 2.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.494 . . . . 73.21 110.881 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -100.83 164.88 11.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 75.22 110.894 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 89.1 m -125.36 104.5 8.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 74.21 111.205 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.733 HD23 ' HB3' ' A' ' 80' ' ' CYS . 3.5 mp -115.34 172.52 7.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 51.52 110.895 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 26.8 p -100.43 167.94 10.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 71.55 110.89 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 97.3 p -54.55 -57.21 12.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 53.44 110.874 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -51.57 -31.99 30.62 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.675 -0.774 . . . . 43.32 112.456 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.733 ' HB3' HD23 ' A' ' 76' ' ' LEU . 1.2 m -70.92 -33.37 70.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.849 0.356 . . . . 74.13 110.88 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.534 HD21 ' HB2' ' A' ' 68' ' ' LYS . 3.3 mm? -67.52 -43.63 80.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 74.23 110.891 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -79.25 -51.7 9.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 72.53 110.818 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.15 -55.42 21.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 72.44 111.075 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 87' ' ' GLN . 0.9 OUTLIER -84.31 14.74 4.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 72.32 110.823 -179.713 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 38.33 49.14 2.25 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.688 -0.768 . . . . 74.04 112.542 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.459 ' HA ' HD13 ' A' ' 81' ' ' LEU . 1.2 mtm 60.44 36.33 20.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.707 0.289 . . . . 53.03 110.872 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -60.08 -168.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.248 -0.433 . . . . 74.24 110.975 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -137.95 70.41 49.82 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.623 0.725 . . . . 52.14 110.885 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.711 ' HG2' HD11 ' A' ' 76' ' ' LEU . 53.7 Cg_endo -69.79 -42.34 3.46 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.606 2.204 . . . . 62.02 112.357 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.6 mm . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 63.44 111.164 179.891 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.1 tmm_? . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.85 0.357 . . . . 71.11 110.914 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.522 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 10.2 t -50.94 120.35 4.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 65.02 110.933 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.487 ' C ' HD11 ' A' ' 90' ' ' ILE . 19.2 mm100 -76.86 -0.58 24.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 70.11 110.838 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.44 -20.53 10.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.311 -0.404 . . . . 74.12 110.91 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.522 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 14.4 m -110.66 -21.75 11.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 72.01 110.952 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 60.14 37.22 20.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 71.22 110.887 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -142.45 177.6 8.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 64.33 111.12 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -65.57 130.45 43.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 74.53 110.849 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -106.06 110.76 23.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 74.24 111.083 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 39.4 mtmt -60.38 -62.55 1.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 72.22 110.898 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.416 ' HB3' ' HB2' ' A' ' 78' ' ' SER . 0.9 OUTLIER -126.62 74.75 74.86 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.717 0.77 . . . . 71.52 110.856 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 155.46 65.71 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.707 2.271 . . . . 74.22 112.34 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.3 mtmt -134.32 156.14 48.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 73.44 110.917 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 55.1 mt -92.8 104.6 16.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 43.35 110.939 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.432 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 19.3 mt -48.19 161.9 0.36 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.652 0.739 . . . . 71.05 110.902 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.432 ' HD2' ' HB3' ' A' ' 70' ' ' LEU . 53.8 Cg_endo -69.67 -7.15 20.29 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.744 2.296 . . . . 73.5 112.359 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 1.3 m -96.32 -79.7 0.44 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.431 . . . . 71.12 110.891 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.6 pp 175.38 41.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 73.21 110.906 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.408 ' CG ' ' HB ' ' A' ' 90' ' ' ILE . 2.6 m-70 -128.24 164.69 22.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.274 -0.421 . . . . 75.22 110.901 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 60.7 m -115.5 123.69 49.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.242 -0.435 . . . . 74.21 111.125 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.789 HD23 ' HB3' ' A' ' 80' ' ' CYS . 3.9 mp -124.93 171.44 10.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.308 -0.406 . . . . 51.52 110.97 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 29.9 p -95.83 159.41 14.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 71.55 110.842 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.416 ' HB2' ' HB3' ' A' ' 66' ' ' CYS . 0.0 OUTLIER -49.03 -53.42 20.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 53.44 110.825 -179.827 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -55.18 -29.35 52.2 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.728 -0.748 . . . . 43.32 112.465 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.789 ' HB3' HD23 ' A' ' 76' ' ' LEU . 1.0 OUTLIER -73.67 -37.25 65.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.856 0.36 . . . . 74.13 110.835 -179.871 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.544 HD13 ' HA ' ' A' ' 86' ' ' MET . 2.2 mm? -63.94 -41.84 97.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 74.23 110.987 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -79.33 -52.38 8.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 72.53 110.892 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.16 -54.6 38.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 72.44 111.102 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.474 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.1 OUTLIER -82.12 12.37 4.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 72.32 110.926 -179.836 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 39.52 46.74 2.84 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.724 -0.751 . . . . 74.04 112.508 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.544 ' HA ' HD13 ' A' ' 81' ' ' LEU . 10.2 mtp 66.07 36.86 5.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.749 0.309 . . . . 53.03 110.886 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.474 ' HB2' ' O ' ' A' ' 84' ' ' SER . 0.1 OUTLIER -62.07 -164.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 74.24 110.9 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -147.12 71.14 12.12 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.631 0.729 . . . . 52.14 110.9 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.432 ' HG2' HD11 ' A' ' 76' ' ' LEU . 53.3 Cg_endo -69.79 -45.48 1.56 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.708 2.272 . . . . 62.02 112.282 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.487 HD11 ' C ' ' A' ' 58' ' ' GLN . 20.4 mm . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.279 -0.419 . . . . 63.44 111.171 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.0 tmm_? . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.863 0.363 . . . . 71.11 110.898 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.499 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 10.9 t -49.35 118.41 2.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 65.02 110.929 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.3 mm100 -76.06 1.04 16.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 70.11 110.903 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.514 ' HB3' HD11 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -116.39 -20.91 9.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 74.12 110.9 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.499 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 8.1 m -109.77 -24.89 10.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 72.01 110.844 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 63.88 38.6 8.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 71.22 110.935 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -145.56 179.69 7.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 64.33 111.114 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -66.21 131.19 45.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 74.53 110.833 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -111.34 113.94 26.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.08 -0.509 . . . . 74.24 111.147 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -68.84 0.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 72.22 110.809 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.8 t -114.08 71.87 2.14 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.644 0.735 . . . . 71.52 110.821 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 146.02 58.45 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.648 2.232 . . . . 74.22 112.342 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.648 ' HB2' HD21 ' A' ' 81' ' ' LEU . 0.5 OUTLIER -123.01 157.12 33.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 73.44 110.889 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.677 HD23 ' O ' ' A' ' 74' ' ' HIS . 7.5 mt -103.01 97.9 7.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 43.35 110.908 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.475 HD12 ' HD2' ' A' ' 71' ' ' PRO . 4.4 mm? -48.83 163.98 0.31 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.621 0.724 . . . . 71.05 110.922 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.475 ' HD2' HD12 ' A' ' 70' ' ' LEU . 53.9 Cg_endo -69.69 -4.56 14.23 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.752 2.302 . . . . 73.5 112.318 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 81.7 m -104.73 10.58 34.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 71.12 110.892 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.4 mt 71.89 37.25 1.06 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.193 -0.458 . . . . 73.21 110.924 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.677 ' O ' HD23 ' A' ' 69' ' ' LEU . 3.1 m-70 -104.44 165.36 11.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 75.22 110.845 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.7 m -118.35 118.26 31.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 74.21 111.175 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.705 HD11 ' HG2' ' A' ' 89' ' ' PRO . 2.6 mp -130.4 172.32 12.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 51.52 110.923 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.513 ' O ' HD23 ' A' ' 81' ' ' LEU . 26.6 p -101.85 176.49 5.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 71.55 110.882 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 96.6 p -63.75 -55.95 19.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 53.44 110.852 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -51.8 -29.65 26.85 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.792 -0.718 . . . . 43.32 112.518 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.702 ' HB3' HD23 ' A' ' 76' ' ' LEU . 1.3 m -74.08 -32.61 63.34 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.883 0.373 . . . . 74.13 110.909 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.648 HD21 ' HB2' ' A' ' 68' ' ' LYS . 3.5 mm? -68.33 -43.52 77.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 74.23 110.921 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -77.47 -47.89 18.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 72.53 110.876 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.82 -52.96 46.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 72.44 111.115 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.582 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.8 OUTLIER -86.2 14.62 6.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 72.32 110.882 -179.817 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 84' ' ' SER . . . 37.84 48.97 1.95 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.79 -0.719 . . . . 74.04 112.475 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.628 ' HA ' HD13 ' A' ' 81' ' ' LEU . 10.1 mtm 65.59 37.51 5.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.814 0.34 . . . . 53.03 110.923 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.582 ' HB2' ' O ' ' A' ' 84' ' ' SER . 0.1 OUTLIER -67.92 -164.39 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 74.24 110.882 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -144.1 74.23 16.06 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.594 0.711 . . . . 52.14 110.933 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.705 ' HG2' HD11 ' A' ' 76' ' ' LEU . 54.2 Cg_endo -69.73 -39.89 6.02 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.649 2.233 . . . . 62.02 112.347 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.514 HD11 ' HB3' ' A' ' 59' ' ' GLN . 22.2 mm . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 63.44 111.145 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.862 0.363 . . . . 71.11 110.815 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.529 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 9.3 t -49.7 119.78 3.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 65.02 110.85 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -76.83 1.63 16.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.171 -0.468 . . . . 70.11 110.857 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.17 -20.39 8.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 74.12 110.87 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.529 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 7.4 m -110.18 -24.27 10.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 72.01 110.84 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 63.4 37.68 10.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.173 -0.467 . . . . 71.22 110.842 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -143.49 178.73 7.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 64.33 111.098 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -64.42 132.04 48.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 74.53 110.829 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -107.26 108.51 19.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 74.24 111.136 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.8 mtmm -64.77 -65.62 0.65 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 72.22 110.884 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.4 m -118.08 70.51 7.94 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.567 0.699 . . . . 71.52 110.853 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.68 159.49 53.26 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.651 2.234 . . . . 74.22 112.432 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.6 ' HB2' HD21 ' A' ' 81' ' ' LEU . 11.2 mtpt -133.4 154.22 50.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 73.44 110.925 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 29.0 mt -99.08 91.42 5.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 43.35 110.95 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.413 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 20.1 mt -48.72 161.82 0.39 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.589 0.709 . . . . 71.05 110.91 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.413 ' HD2' ' HB3' ' A' ' 70' ' ' LEU . 52.7 Cg_endo -69.87 -6.57 18.97 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.669 2.246 . . . . 73.5 112.285 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 89.8 m -102.17 12.74 36.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 71.12 110.872 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.2 mt 70.17 34.48 2.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 73.21 110.915 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -102.98 164.73 11.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 75.22 110.853 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.5 m -123.9 105.58 9.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 74.21 111.153 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.732 HD23 ' HB3' ' A' ' 80' ' ' CYS . 2.9 mp -117.31 171.76 7.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 51.52 110.927 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 30.5 p -99.53 160.76 14.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 71.55 110.849 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.32 -54.87 18.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 53.44 110.852 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.13 -29.35 36.11 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.742 -0.742 . . . . 43.32 112.47 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.732 ' HB3' HD23 ' A' ' 76' ' ' LEU . 1.1 m -74.8 -33.32 62.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.846 0.355 . . . . 74.13 110.865 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.6 HD21 ' HB2' ' A' ' 68' ' ' LYS . 3.0 mm? -66.63 -43.31 85.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 74.23 110.865 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -78.49 -47.26 17.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 72.53 110.853 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.05 -53.65 35.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 72.44 111.048 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.512 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.1 OUTLIER -84.19 13.03 5.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 72.32 110.84 -179.762 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 39.74 46.73 3.03 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.762 -0.733 . . . . 74.04 112.432 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.583 ' HG2' HD12 ' A' ' 81' ' ' LEU . 15.4 mtm 66.78 36.82 4.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.745 0.307 . . . . 53.03 110.877 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.512 ' HB2' ' O ' ' A' ' 84' ' ' SER . 0.4 OUTLIER -64.27 -166.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 74.24 110.886 -179.922 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.49 70.88 21.22 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.65 0.738 . . . . 52.14 110.833 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.713 ' HG2' HD11 ' A' ' 76' ' ' LEU . 53.7 Cg_endo -69.8 -43.09 2.83 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.698 2.265 . . . . 62.02 112.358 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 23.6 mm . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 63.44 111.14 179.916 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.875 0.369 . . . . 71.11 110.876 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.516 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 9.8 t -49.64 119.68 3.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 65.02 110.88 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -76.29 -0.75 23.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 70.11 110.945 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.479 ' HB3' HD11 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -114.57 -21.95 10.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 74.12 110.888 -179.905 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.516 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 11.0 m -108.35 -24.75 11.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 72.01 110.884 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 63.34 37.03 11.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 71.22 110.928 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -142.23 177.61 8.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 64.33 111.125 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -63.86 131.57 48.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 74.53 110.931 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -107.45 110.18 22.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 74.24 111.111 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 15.8 mtmm -63.05 -64.97 0.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 72.22 110.892 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.6 t -121.17 72.27 24.69 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.547 0.689 . . . . 71.52 110.912 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 152.76 69.06 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.594 2.196 . . . . 74.22 112.36 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.411 ' HB2' HD21 ' A' ' 81' ' ' LEU . 22.2 mmtp -134.22 156.35 48.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 73.44 110.921 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 49.6 mt -89.95 109.57 20.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 43.35 110.932 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.471 HD11 HD22 ' A' ' 76' ' ' LEU . 1.5 mp -50.47 163.96 0.43 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.589 0.709 . . . . 71.05 110.883 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 -9.35 25.87 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.715 2.277 . . . . 73.5 112.276 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 1.4 m -97.33 -82.12 0.42 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 71.12 110.907 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.413 HD12 ' CE1' ' A' ' 74' ' ' HIS . 0.4 OUTLIER -178.87 34.25 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 73.21 110.937 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.431 ' CG ' ' HB ' ' A' ' 90' ' ' ILE . 1.6 m-70 -120.53 164.87 15.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 75.22 110.867 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.448 ' O ' HD12 ' A' ' 76' ' ' LEU . 27.1 m -114.78 131.24 56.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 74.21 111.119 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.758 HD23 ' HB3' ' A' ' 80' ' ' CYS . 4.0 mp -129.8 172.54 11.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 51.52 110.954 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 27.9 p -97.8 170.74 8.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 71.55 110.914 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 92.9 p -57.28 -56.56 20.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 53.44 110.898 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -52.54 -29.37 31.61 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.725 -0.75 . . . . 43.32 112.471 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.758 ' HB3' HD23 ' A' ' 76' ' ' LEU . 1.2 m -74.34 -34.58 63.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.889 0.376 . . . . 74.13 110.882 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.603 HD13 ' HA ' ' A' ' 86' ' ' MET . 3.2 mm? -67.42 -42.34 83.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 74.23 110.937 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -78.34 -51.41 10.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 72.53 110.844 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.29 -53.47 52.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 72.44 111.132 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.548 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.8 OUTLIER -85.64 13.08 7.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 72.32 110.784 -179.74 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 37.72 50.24 1.93 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.698 -0.763 . . . . 74.04 112.55 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.603 ' HA ' HD13 ' A' ' 81' ' ' LEU . 0.1 OUTLIER 63.35 37.65 10.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.712 0.291 . . . . 53.03 110.808 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.548 ' HB2' ' O ' ' A' ' 84' ' ' SER . 1.0 OUTLIER -64.88 -164.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.312 -0.404 . . . . 74.24 110.906 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -146.86 71.09 12.41 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.674 0.75 . . . . 52.14 110.905 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -44.44 2.13 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.702 2.268 . . . . 62.02 112.337 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.479 HD11 ' HB3' ' A' ' 59' ' ' GLN . 25.9 mm . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 63.44 111.087 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.1 tmm_? . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.819 0.342 . . . . 71.11 110.941 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.525 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 9.9 t -52.79 120.77 6.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 65.02 110.866 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -76.51 0.66 19.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 70.11 110.877 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.27 -21.78 8.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 74.12 110.98 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.525 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 13.7 m -109.34 -19.46 13.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 72.01 110.907 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 57.5 38.79 28.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 71.22 110.88 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -144.89 178.87 7.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 64.33 111.056 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -64.54 131.44 47.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 74.53 110.849 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -111.21 113.59 26.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 74.24 111.11 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt -62.68 -70.85 0.18 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.302 -0.408 . . . . 72.22 110.857 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.3 m -115.15 71.08 2.82 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-O 121.627 0.727 . . . . 71.52 110.811 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.84 153.23 68.79 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.645 2.23 . . . . 74.22 112.325 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.522 ' HB2' HD21 ' A' ' 81' ' ' LEU . 8.1 mmpt? -134.27 155.86 49.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 73.44 110.875 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.9 mt -97.13 110.02 22.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 43.35 110.858 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.422 HD13 ' HA ' ' A' ' 70' ' ' LEU . 3.1 mm? -50.48 160.6 0.72 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.617 0.722 . . . . 71.05 110.937 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.412 ' HD2' ' HB3' ' A' ' 70' ' ' LEU . 52.8 Cg_endo -69.8 -5.46 16.29 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.656 2.237 . . . . 73.5 112.331 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 23.0 m -95.22 -79.25 0.43 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 71.12 110.892 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.9 pp 177.54 36.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 73.21 110.895 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -126.39 166.38 17.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 75.22 110.864 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.598 ' O ' HD12 ' A' ' 76' ' ' LEU . 41.7 m -121.0 137.02 54.85 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.211 -0.449 . . . . 74.21 111.187 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.778 HD23 ' HB3' ' A' ' 80' ' ' CYS . 4.3 mp -134.58 172.84 12.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 51.52 110.804 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 28.5 p -98.41 167.67 10.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 71.55 110.936 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 91.4 p -54.72 -55.95 24.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 53.44 110.869 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.05 -28.9 34.31 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.702 -0.761 . . . . 43.32 112.523 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.778 ' HB3' HD23 ' A' ' 76' ' ' LEU . 1.2 m -74.21 -33.37 63.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.86 0.362 . . . . 74.13 110.887 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.647 HD13 ' HA ' ' A' ' 86' ' ' MET . 2.0 mm? -67.75 -43.37 80.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 74.23 110.902 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -77.56 -49.74 14.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 72.53 110.904 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.8 -53.37 51.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 72.44 111.128 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.544 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.1 OUTLIER -85.35 13.27 6.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 72.32 110.843 -179.781 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 84' ' ' SER . . . 38.49 48.07 2.25 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.736 -0.745 . . . . 74.04 112.461 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.647 ' HA ' HD13 ' A' ' 81' ' ' LEU . 0.3 OUTLIER 65.98 37.13 5.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.748 0.308 . . . . 53.03 110.86 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.544 ' HB2' ' O ' ' A' ' 84' ' ' SER . 0.2 OUTLIER -65.77 -165.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 74.24 110.906 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -147.98 72.79 11.3 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.638 0.732 . . . . 52.14 110.909 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 -41.58 4.21 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.663 2.242 . . . . 62.02 112.393 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.8 mm . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 63.44 111.076 179.903 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.861 0.362 . . . . 71.11 110.873 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.541 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 8.5 t -49.97 119.92 3.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.499 . . . . 65.02 110.926 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -76.2 1.59 15.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.107 -0.497 . . . . 70.11 110.926 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.435 ' HB3' HD11 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -118.21 -23.34 7.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 74.12 110.912 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.541 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 10.7 m -106.94 -21.43 13.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 72.01 110.915 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 59.65 37.07 22.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 71.22 110.88 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -142.69 179.73 6.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.281 -0.418 . . . . 64.33 111.088 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -67.9 126.53 29.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 74.53 110.894 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.48 113.15 26.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 74.24 111.118 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.5 mtmp? -63.55 -67.88 0.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 72.22 110.897 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.3 m -115.29 71.78 3.21 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.609 0.719 . . . . 71.52 110.899 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 148.78 65.89 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.586 2.191 . . . . 74.22 112.394 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.52 ' HB2' HD21 ' A' ' 81' ' ' LEU . 28.2 mmtp -128.99 156.96 42.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 73.44 110.869 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.2 mt -91.33 101.77 14.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 43.35 110.914 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.648 HD22 HD13 ' A' ' 76' ' ' LEU . 0.7 OUTLIER -49.36 164.68 0.31 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.631 0.729 . . . . 71.05 110.865 179.885 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 -7.88 22.16 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.732 2.288 . . . . 73.5 112.357 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.435 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 68.6 m -108.05 16.64 23.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 71.12 110.86 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.3 mt 71.42 22.0 4.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 73.21 110.95 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.435 ' CE1' ' HB3' ' A' ' 72' ' ' CYS . 3.8 m-70 -92.56 164.77 13.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 75.22 110.935 179.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.636 ' O ' HD12 ' A' ' 76' ' ' LEU . 4.3 m -113.14 127.88 56.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.272 -0.422 . . . . 74.21 111.105 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.693 HD23 ' HB3' ' A' ' 80' ' ' CYS . 2.6 mp -138.7 171.99 13.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 51.52 110.903 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 30.2 p -100.98 160.02 14.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 71.55 110.865 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.2 -54.3 21.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 53.44 110.855 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.15 -30.07 38.06 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.722 -0.751 . . . . 43.32 112.44 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.693 ' HB3' HD23 ' A' ' 76' ' ' LEU . 1.1 m -74.17 -32.61 63.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.895 0.379 . . . . 74.13 110.871 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.629 HD13 ' HA ' ' A' ' 86' ' ' MET . 3.0 mm? -67.8 -43.35 79.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 74.23 110.922 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -78.07 -44.93 24.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 72.53 110.898 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.36 -53.58 23.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 72.44 111.115 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.549 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.7 OUTLIER -83.88 14.5 3.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.23 -0.441 . . . . 72.32 110.826 -179.768 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 39.62 45.62 2.72 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.8 -0.714 . . . . 74.04 112.465 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.629 ' HA ' HD13 ' A' ' 81' ' ' LEU . 4.2 mtt 67.82 37.0 3.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.706 0.289 . . . . 53.03 110.916 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.549 ' HB2' ' O ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -67.42 -165.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 74.24 110.899 -179.852 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -148.62 70.65 10.54 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.635 0.731 . . . . 52.14 110.894 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -40.72 4.96 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.666 2.244 . . . . 62.02 112.323 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.435 HD11 ' HB3' ' A' ' 59' ' ' GLN . 31.4 mm . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 63.44 111.165 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.866 0.365 . . . . 71.11 110.844 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.522 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 9.1 t -49.15 123.56 7.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 65.02 110.854 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -78.47 -2.74 39.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 70.11 110.928 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.2 -20.12 11.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 74.12 110.958 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.522 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 17.5 m -111.6 -16.11 13.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 72.01 110.803 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 54.2 27.32 7.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 71.22 110.92 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -130.32 172.63 11.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 64.33 111.167 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -59.43 137.3 58.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.28 -0.418 . . . . 74.53 110.898 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -110.07 108.46 18.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 74.24 111.125 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt -64.76 -55.31 20.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 72.22 110.851 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.7 m -130.88 71.04 82.6 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.633 0.73 . . . . 71.52 110.864 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 161.54 45.55 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.711 2.274 . . . . 74.22 112.341 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.562 ' HB2' HD21 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -136.16 156.02 49.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.425 . . . . 73.44 110.899 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.566 ' O ' HD13 ' A' ' 69' ' ' LEU . 1.0 OUTLIER -96.19 93.48 6.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 43.35 110.95 179.895 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.416 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 20.0 mt -50.57 162.14 0.57 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.619 0.723 . . . . 71.05 110.914 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.416 ' HD2' ' HB3' ' A' ' 70' ' ' LEU . 53.4 Cg_endo -69.78 -7.04 20.05 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.672 2.248 . . . . 73.5 112.321 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 61.4 m -103.86 16.13 27.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.252 -0.431 . . . . 71.12 110.894 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.443 ' HA ' HD21 ' A' ' 69' ' ' LEU . 7.6 mt 68.81 25.73 6.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 73.21 110.979 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -95.13 164.4 12.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 75.22 110.831 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.9 m -123.49 106.77 10.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 74.21 111.165 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.732 HD23 ' HB3' ' A' ' 80' ' ' CYS . 3.4 mp -116.99 171.47 7.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 51.52 110.941 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 28.9 p -98.28 162.67 13.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 71.55 110.941 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.24 -57.63 7.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 53.44 110.9 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -50.71 -32.67 25.55 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.766 -0.731 . . . . 43.32 112.465 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.732 ' HB3' HD23 ' A' ' 76' ' ' LEU . 1.2 m -71.72 -33.07 68.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.927 0.394 . . . . 74.13 110.918 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.657 HD13 ' HA ' ' A' ' 86' ' ' MET . 2.4 mm? -68.09 -42.66 80.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 74.23 110.913 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -80.94 -52.14 7.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 72.53 110.938 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.18 -55.76 19.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.491 . . . . 72.44 111.098 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.493 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.2 OUTLIER -86.4 18.36 3.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 72.32 110.917 -179.783 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.46 ' O ' ' CG ' ' A' ' 86' ' ' MET . . . 33.86 62.7 0.43 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.738 -0.744 . . . . 74.04 112.472 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.657 ' HA ' HD13 ' A' ' 81' ' ' LEU . 5.4 ptp 46.19 39.39 6.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.772 0.32 . . . . 53.03 110.836 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.493 ' HB2' ' O ' ' A' ' 84' ' ' SER . 1.7 mp0 -60.58 -167.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.247 -0.433 . . . . 74.24 110.888 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -137.62 69.79 52.54 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.624 0.726 . . . . 52.14 110.858 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.677 ' HG2' HD11 ' A' ' 76' ' ' LEU . 53.8 Cg_endo -69.7 -40.82 4.96 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.772 2.315 . . . . 62.02 112.328 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 14.5 mm . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 63.44 111.133 179.903 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.411 ' HD3' ' HA ' ' A' ' 61' ' ' GLN . 7.5 tmm_? . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.828 0.347 . . . . 71.11 110.883 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.539 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 9.8 t -53.48 122.66 10.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 65.02 110.914 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -78.03 1.72 20.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 70.11 110.923 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.499 ' HB3' HD11 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -119.11 -22.51 7.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 74.12 110.894 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.539 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 7.0 m -106.87 -25.12 11.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 72.01 110.9 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.411 ' HA ' ' HD3' ' A' ' 56' ' ' ARG . 39.8 mt-30 64.58 31.65 12.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 71.22 110.919 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -137.18 178.2 7.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 64.33 111.085 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -61.86 133.49 55.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 74.53 110.903 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -108.04 115.48 30.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 74.24 111.105 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 31.3 mtmm -73.0 -73.9 0.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 72.22 110.914 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.3 t -115.28 70.93 2.97 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.612 0.72 . . . . 71.52 110.827 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 165.22 31.76 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.677 2.251 . . . . 74.22 112.342 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.445 ' HB2' HD21 ' A' ' 81' ' ' LEU . 6.4 mttt -139.61 155.81 47.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 73.44 110.909 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.8 mt -99.31 91.09 4.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.237 -0.438 . . . . 43.35 110.924 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.402 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 13.8 mt -48.56 161.46 0.4 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.64 0.733 . . . . 71.05 110.885 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.402 ' HD2' ' HB3' ' A' ' 70' ' ' LEU . 53.1 Cg_endo -69.86 -4.92 15.06 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.659 2.239 . . . . 73.5 112.339 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.6 ' C ' HD12 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -102.44 17.41 23.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 71.12 110.838 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.6 HD12 ' C ' ' A' ' 72' ' ' CYS . 2.3 mp 65.72 32.91 8.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 73.21 110.919 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -103.77 164.56 11.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 75.22 110.854 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 90.5 m -128.33 104.15 7.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 74.21 111.195 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.807 HD23 ' HB3' ' A' ' 80' ' ' CYS . 5.2 mp -116.48 171.57 7.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 51.52 110.904 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 31.5 p -94.21 166.86 11.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 71.55 110.815 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 82.3 p -52.44 -57.85 8.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 53.44 110.831 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.48 -27.09 32.72 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.801 -0.714 . . . . 43.32 112.452 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.807 ' HB3' HD23 ' A' ' 76' ' ' LEU . 0.9 OUTLIER -74.52 -39.17 62.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.927 0.394 . . . . 74.13 110.877 -179.861 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.458 HD13 ' HA ' ' A' ' 86' ' ' MET . 1.4 mm? -62.91 -41.69 99.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 74.23 110.89 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -78.81 -52.92 7.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 72.53 110.859 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.67 -54.59 37.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 72.44 111.108 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 87' ' ' GLN . 0.9 OUTLIER -81.69 11.45 4.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 72.32 110.849 -179.84 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 39.54 46.23 2.76 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.721 -0.752 . . . . 74.04 112.525 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.458 ' HA ' HD13 ' A' ' 81' ' ' LEU . 0.8 OUTLIER 64.45 34.46 10.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.697 0.284 . . . . 53.03 110.884 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -61.99 -166.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 74.24 110.859 -179.908 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -136.49 69.79 60.55 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.637 0.732 . . . . 52.14 110.847 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.767 ' HG2' HD11 ' A' ' 76' ' ' LEU . 54.6 Cg_endo -69.69 -41.94 3.92 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.702 2.268 . . . . 62.02 112.347 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.499 HD11 ' HB3' ' A' ' 59' ' ' GLN . 18.2 mm . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 63.44 111.196 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.1 tmm_? . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.855 0.359 . . . . 71.11 110.911 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.535 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 9.2 t -49.48 123.82 8.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 65.02 110.875 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.462 ' C ' HD11 ' A' ' 90' ' ' ILE . 15.7 mm100 -78.44 -4.18 47.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 70.11 110.847 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.62 -19.81 11.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 74.12 110.845 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.535 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 20.8 m -111.7 -14.83 13.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 72.01 110.895 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 51.38 30.13 5.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 71.22 110.896 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -131.47 169.6 15.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 64.33 111.097 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -57.95 123.34 15.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 74.53 110.885 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -94.65 108.71 20.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 74.24 111.047 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.48 -60.36 3.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 72.22 110.886 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.8 m -129.04 70.38 81.57 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.612 0.72 . . . . 71.52 110.909 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 153.49 68.77 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.622 2.215 . . . . 74.22 112.337 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.436 ' HB2' HD21 ' A' ' 81' ' ' LEU . 6.1 mmmt -133.29 155.95 48.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 73.44 110.867 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 71.5 mt -83.2 157.05 22.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 43.35 110.922 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.762 HD13 ' HB2' ' A' ' 74' ' ' HIS . 0.2 OUTLIER -110.71 162.7 19.56 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.632 0.729 . . . . 71.05 110.898 179.917 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.565 ' HD2' HD23 ' A' ' 70' ' ' LEU . 53.6 Cg_endo -69.75 -8.23 23.08 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.687 2.258 . . . . 73.5 112.33 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 64.1 m -102.2 -79.5 0.52 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 71.12 110.908 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.1 pp 175.85 40.66 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 73.21 110.881 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.762 ' HB2' HD13 ' A' ' 70' ' ' LEU . 2.6 m-70 -122.32 164.06 18.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.478 . . . . 75.22 110.87 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 97.0 m -128.64 112.26 14.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 74.21 111.128 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.703 HD23 ' HB3' ' A' ' 80' ' ' CYS . 4.8 mp -109.36 171.64 7.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 51.52 110.885 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 28.9 p -95.94 163.51 13.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 71.55 110.937 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.58 -57.71 5.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 53.44 110.844 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -52.71 -31.1 37.17 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.702 -0.761 . . . . 43.32 112.471 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.703 ' HB3' HD23 ' A' ' 76' ' ' LEU . 1.2 m -73.94 -33.42 63.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.773 0.321 . . . . 74.13 110.814 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.628 HD13 ' HA ' ' A' ' 86' ' ' MET . 1.5 mm? -67.35 -41.73 84.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 74.23 110.908 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -80.92 -51.6 8.38 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.211 -0.45 . . . . 72.53 110.883 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.29 -55.95 17.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 72.44 111.08 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 85' ' ' GLY . 0.9 OUTLIER -85.06 15.02 4.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 72.32 110.808 -179.747 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.447 ' O ' ' CG ' ' A' ' 86' ' ' MET . . . 35.19 64.19 0.49 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.701 -0.762 . . . . 74.04 112.505 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.628 ' HA ' HD13 ' A' ' 81' ' ' LEU . 14.7 ptp 45.79 38.39 4.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.702 0.287 . . . . 53.03 110.913 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.705 ' O ' HD21 ' A' ' 70' ' ' LEU . 1.0 OUTLIER -60.47 -169.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 74.24 110.888 -179.893 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -137.76 67.83 50.79 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.583 0.706 . . . . 52.14 110.842 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.526 ' HG2' HD11 ' A' ' 76' ' ' LEU . 53.5 Cg_endo -69.77 -43.78 2.45 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.656 2.238 . . . . 62.02 112.322 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.462 HD11 ' C ' ' A' ' 58' ' ' GLN . 16.9 mm . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.43 . . . . 63.44 111.049 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.879 0.371 . . . . 71.11 110.847 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.521 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 9.6 t -48.96 120.55 3.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 65.02 110.89 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -76.98 0.74 20.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 70.11 110.889 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.5 -20.72 8.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.425 . . . . 74.12 110.913 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.521 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 11.5 m -110.41 -19.61 12.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 72.01 110.927 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 57.65 37.64 27.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.096 -0.502 . . . . 71.22 110.942 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -142.45 -179.99 6.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 64.33 111.059 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -66.62 130.15 42.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.271 -0.422 . . . . 74.53 110.913 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -107.67 111.3 23.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 74.24 111.113 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt -62.81 -67.77 0.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 72.22 110.832 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.3 m -118.03 71.74 8.52 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.637 0.732 . . . . 71.52 110.932 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 149.15 66.24 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.728 2.286 . . . . 74.22 112.342 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.513 ' HB2' HD21 ' A' ' 81' ' ' LEU . 25.4 mmtm -123.97 156.59 36.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 73.44 110.822 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.651 HD23 ' O ' ' A' ' 74' ' ' HIS . 1.6 mt -98.87 93.02 5.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 43.35 110.94 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.454 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 19.4 mt -47.58 163.45 0.27 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.643 0.735 . . . . 71.05 110.904 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.454 ' HD2' ' HB3' ' A' ' 70' ' ' LEU . 54.1 Cg_endo -69.75 -5.65 16.7 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.74 2.293 . . . . 73.5 112.337 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.418 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 76.6 m -104.63 14.82 29.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 71.12 110.944 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.4 mt 68.22 32.87 4.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 73.21 110.892 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.651 ' O ' HD23 ' A' ' 69' ' ' LEU . 4.5 m-70 -99.72 165.49 11.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 75.22 110.861 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 51.1 m -122.57 104.82 9.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 74.21 111.177 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.762 HD23 ' HB3' ' A' ' 80' ' ' CYS . 3.7 mp -117.8 171.74 7.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 51.52 110.853 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 28.9 p -98.92 164.61 12.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 71.55 110.899 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 78.5 p -52.3 -56.85 12.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 53.44 110.862 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -52.09 -30.28 30.56 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.73 -0.748 . . . . 43.32 112.55 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.762 ' HB3' HD23 ' A' ' 76' ' ' LEU . 1.1 m -72.6 -33.54 66.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.87 0.366 . . . . 74.13 110.872 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.613 HD13 ' HA ' ' A' ' 86' ' ' MET . 3.5 mm? -68.39 -42.76 78.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.1 -0.5 . . . . 74.23 110.894 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -78.67 -49.44 13.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 72.53 110.853 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.32 -54.33 30.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 72.44 111.138 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.536 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.8 OUTLIER -83.81 14.99 3.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 72.32 110.869 -179.861 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 37.97 47.64 1.9 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.731 -0.747 . . . . 74.04 112.523 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.613 ' HA ' HD13 ' A' ' 81' ' ' LEU . 17.5 mtt 65.34 35.35 7.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.742 0.306 . . . . 53.03 110.917 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.536 ' HB2' ' O ' ' A' ' 84' ' ' SER . 0.5 OUTLIER -61.12 -166.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 74.24 110.928 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -141.93 71.31 23.94 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.658 0.742 . . . . 52.14 110.865 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.723 ' HG2' HD11 ' A' ' 76' ' ' LEU . 53.6 Cg_endo -69.81 -42.53 3.27 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.685 2.256 . . . . 62.02 112.347 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 22.6 mm . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 63.44 111.169 179.873 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.791 0.329 . . . . 74.54 110.949 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -117.26 159.87 22.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 73.31 110.927 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -60.11 -24.09 64.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 71.44 110.888 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 21.4 p90 -124.74 138.95 54.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 64.25 110.863 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.638 ' HB2' HD22 ' A' ' 104' ' ' LEU . 10.4 pt20 -107.08 66.51 0.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 62.23 110.939 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -139.57 163.96 31.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 75.03 110.892 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.687 HD11 ' C ' ' A' ' 102' ' ' PRO . 46.5 mt -93.28 -178.69 4.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.16 -0.473 . . . . 74.24 110.957 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.1 tmm_? -153.1 116.17 4.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 71.11 110.869 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.546 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 8.4 t -49.73 121.71 5.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 65.02 110.879 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -77.29 1.44 18.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.472 . . . . 70.11 110.937 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.495 ' HB3' HD11 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -118.8 -23.6 6.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 74.12 110.909 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.546 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 9.6 m -106.04 -24.46 12.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 72.01 110.911 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 63.25 35.99 12.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 71.22 110.89 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -141.44 179.62 6.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 64.33 111.141 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -64.91 131.3 46.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 74.53 110.9 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.54 110.47 22.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 74.24 111.087 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 38.7 mtmt -63.17 -53.0 60.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 72.22 110.912 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.6 m -136.66 69.97 59.33 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.658 0.742 . . . . 71.52 110.897 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.461 ' HG2' HD12 ' A' ' 55' ' ' LEU . 53.7 Cg_endo -69.73 153.68 68.78 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.692 2.261 . . . . 74.22 112.317 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.509 ' HG3' HD22 ' A' ' 81' ' ' LEU . 26.3 mmtt -138.98 156.56 47.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 73.44 110.924 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.438 HD11 ' HA ' ' A' ' 101' ' ' THR . 32.5 mt -90.42 97.22 11.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 43.35 110.902 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.607 HD11 HD22 ' A' ' 76' ' ' LEU . 20.2 mt -47.87 161.38 0.36 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.602 0.715 . . . . 71.05 110.936 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.83 -6.96 19.88 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.689 2.259 . . . . 73.5 112.298 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.19 15.85 28.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 71.12 110.885 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.61 ' HB2' HD23 ' A' ' 97' ' ' LEU . 12.9 mt 67.63 43.72 1.8 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 73.21 110.936 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -120.49 163.99 17.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 75.22 110.886 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.7 m -117.02 114.07 23.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 74.21 111.173 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.776 HD23 ' HB3' ' A' ' 80' ' ' CYS . 4.2 mp -126.75 172.29 10.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 51.52 110.945 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 30.7 p -98.74 162.45 13.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 71.55 110.85 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.45 -56.33 11.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 53.44 110.869 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.25 -28.09 41.62 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.711 -0.757 . . . . 43.32 112.471 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.776 ' HB3' HD23 ' A' ' 76' ' ' LEU . 0.8 OUTLIER -71.78 -35.11 69.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.865 0.364 . . . . 74.13 110.866 -179.915 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.509 HD22 ' HG3' ' A' ' 68' ' ' LYS . 1.1 mp -70.02 -40.31 75.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 74.23 110.905 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -78.54 -47.51 17.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 72.53 110.922 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -70.26 -54.63 11.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 72.44 111.076 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.423 ' CB ' ' HB2' ' A' ' 87' ' ' GLN . 0.1 OUTLIER -83.58 13.52 4.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 72.32 110.838 -179.744 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 40.02 46.36 3.19 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.738 -0.744 . . . . 74.04 112.504 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 5.2 mtp 63.43 36.18 11.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.709 0.29 . . . . 53.03 110.851 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.423 ' HB2' ' CB ' ' A' ' 84' ' ' SER . 0.5 OUTLIER -61.78 -167.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 74.24 110.895 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -137.58 70.7 52.41 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.648 0.737 . . . . 52.14 110.921 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.625 ' HG2' HD11 ' A' ' 76' ' ' LEU . 53.7 Cg_endo -69.75 -40.66 5.07 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.622 2.215 . . . . 62.02 112.352 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.495 HD11 ' HB3' ' A' ' 59' ' ' GLN . 18.9 mm -63.33 -15.36 15.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 63.44 111.14 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . 0.836 ' SG ' 'ZN ' ' A' ' 202' ' ' ' ZN' . 0.1 OUTLIER -73.56 -5.46 40.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 73.44 110.865 179.93 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -57.35 -33.61 67.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 75.44 110.903 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -138.94 146.8 51.36 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.581 0.705 . . . . 72.13 111.104 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 70.55 1.59 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.711 2.274 . . . . 65.42 112.319 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 1.8 p-90 -71.43 155.43 92.74 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.515 0.674 . . . . 72.32 110.941 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 115.89 4.3 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.711 2.274 . . . . 74.21 112.339 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.61 HD23 ' HB2' ' A' ' 73' ' ' LEU . 4.8 mp -83.8 -173.15 4.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 75.41 110.92 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 108.58 -23.28 24.7 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 45.1 112.488 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -121.28 102.51 8.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.738 0.304 . . . . 52.12 111.1 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.404 ' HB2' HD22 ' A' ' 69' ' ' LEU . 0.4 OUTLIER -156.5 101.9 2.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 73.42 110.825 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.534 HG22 ' HD2' ' A' ' 102' ' ' PRO . 0.0 OUTLIER -141.1 157.32 67.13 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.524 0.678 . . . . 71.21 111.176 -179.905 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.687 ' C ' HD11 ' A' ' 55' ' ' LEU . 53.8 Cg_endo -69.78 -178.44 2.35 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.697 2.265 . . . . 62.43 112.375 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -90.18 151.93 21.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 73.33 111.119 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.638 HD22 ' HB2' ' A' ' 53' ' ' GLN . 7.1 mp . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 74.14 110.931 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . 0.836 'ZN ' ' SG ' ' A' ' 91' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.894 0.378 . . . . 74.54 110.798 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -108.34 161.19 15.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 73.31 110.896 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -151.25 133.0 14.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 71.44 110.883 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 31.6 p90 -80.13 150.96 30.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 64.25 110.911 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.0 pm0 -105.55 67.98 0.78 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 62.23 110.923 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -142.64 155.76 44.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 75.03 110.9 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.475 HD11 ' N ' ' A' ' 103' ' ' ALA . 9.2 mt -110.2 -169.36 1.45 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 74.24 110.957 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.9 tmm_? -150.29 117.53 6.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 71.11 110.903 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.517 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 9.2 t -50.44 120.32 4.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 65.02 110.834 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -76.76 0.99 18.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 70.11 110.878 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.88 -20.93 8.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 74.12 110.841 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.517 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 14.9 m -110.65 -17.74 13.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 72.01 110.826 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 55.85 37.12 28.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 71.22 110.902 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -141.76 178.96 7.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 64.33 111.13 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -66.88 129.55 40.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 74.53 110.867 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -106.08 112.04 24.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 74.24 111.052 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.6 mtmm -64.24 -63.9 1.02 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 72.22 110.873 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.5 m -120.23 71.21 16.76 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.59 0.709 . . . . 71.52 110.856 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.47 ' CG ' HD12 ' A' ' 55' ' ' LEU . 53.9 Cg_endo -69.74 150.67 68.63 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.695 2.263 . . . . 74.22 112.376 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.453 ' HB2' HD21 ' A' ' 81' ' ' LEU . 4.6 mtpt -126.17 156.36 40.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 73.44 110.931 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.509 HD12 ' HD3' ' A' ' 102' ' ' PRO . 5.5 mt -97.29 94.64 7.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 43.35 110.96 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.419 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 19.9 mt -49.13 162.44 0.39 Allowed Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.599 0.714 . . . . 71.05 110.89 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.419 ' HD2' ' HB3' ' A' ' 70' ' ' LEU . 53.6 Cg_endo -69.79 -6.91 19.73 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.671 2.247 . . . . 73.5 112.307 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 69.6 m -103.73 14.62 30.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 71.12 110.86 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.698 HD12 ' CD2' ' A' ' 97' ' ' LEU . 7.1 mt 68.42 34.23 3.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 73.21 110.942 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.403 ' O ' HD23 ' A' ' 69' ' ' LEU . 4.8 m-70 -102.27 165.05 11.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 75.22 110.929 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 56.4 m -119.74 107.77 13.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.281 -0.418 . . . . 74.21 111.127 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.746 HD23 ' HB3' ' A' ' 80' ' ' CYS . 2.8 mp -120.35 171.58 8.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 51.52 110.927 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 30.0 p -99.7 162.43 13.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 71.55 110.862 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -51.67 -55.54 18.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 53.44 110.858 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -52.67 -29.16 32.13 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.766 -0.731 . . . . 43.32 112.522 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.746 ' HB3' HD23 ' A' ' 76' ' ' LEU . 1.1 m -73.82 -33.5 64.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.91 0.386 . . . . 74.13 110.896 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.475 HD13 ' HA ' ' A' ' 86' ' ' MET . 1.6 mm? -67.21 -43.44 82.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 74.23 110.896 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -78.49 -49.64 13.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 72.53 110.901 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.47 -54.34 34.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 72.44 111.154 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.522 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.8 OUTLIER -83.88 13.47 4.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 72.32 110.816 -179.806 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 39.1 46.87 2.51 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.762 -0.733 . . . . 74.04 112.534 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.475 ' HA ' HD13 ' A' ' 81' ' ' LEU . 1.6 mtt 66.31 35.8 5.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.69 0.281 . . . . 53.03 110.849 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.522 ' HB2' ' O ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -62.56 -166.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 74.24 110.916 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.34 71.95 21.73 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.651 0.738 . . . . 52.14 110.936 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.712 ' HG2' HD11 ' A' ' 76' ' ' LEU . 53.4 Cg_endo -69.81 -42.29 3.48 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.704 2.269 . . . . 62.02 112.305 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.1 mm -63.61 -16.14 17.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 63.44 111.175 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . 0.832 ' SG ' 'ZN ' ' A' ' 202' ' ' ' ZN' . 0.1 OUTLIER -71.92 -8.02 51.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 73.44 110.85 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -65.1 -39.64 93.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 75.44 110.918 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -128.7 140.07 37.43 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.587 0.708 . . . . 72.13 111.07 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 62.32 1.75 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.717 2.278 . . . . 65.42 112.338 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.403 ' HB2' ' HD2' ' A' ' 96' ' ' PRO . 1.3 p-90 -60.52 157.41 36.62 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.514 0.673 . . . . 72.32 110.885 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.403 ' HD2' ' HB2' ' A' ' 95' ' ' TRP . 54.7 Cg_endo -69.75 113.95 3.54 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.734 2.289 . . . . 74.21 112.325 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.698 ' CD2' HD12 ' A' ' 73' ' ' LEU . 2.7 mp -63.46 140.64 58.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 75.41 110.898 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -127.12 -22.37 1.56 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.71 -0.757 . . . . 45.1 112.484 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 65.28 37.27 6.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.826 0.346 . . . . 52.12 111.129 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -77.26 115.55 17.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 73.42 110.882 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -56.87 159.68 6.96 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.548 0.689 . . . . 71.21 111.141 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.509 ' HD3' HD12 ' A' ' 69' ' ' LEU . 53.9 Cg_endo -69.74 168.61 21.02 Favored 'Trans proline' 0 C--O 1.23 0.124 0 C-N-CA 122.75 2.3 . . . . 62.43 112.35 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.475 ' N ' HD11 ' A' ' 55' ' ' LEU . . . -81.2 151.9 27.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 73.33 111.075 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 74.14 110.984 179.959 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . 0.832 'ZN ' ' SG ' ' A' ' 91' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.82 0.343 . . . . 74.54 110.892 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -74.11 104.65 5.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 73.31 110.837 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -61.14 -172.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 71.44 110.91 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -120.24 139.71 52.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 64.25 110.891 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -88.72 127.1 35.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.124 -0.489 . . . . 62.23 110.888 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -162.99 171.19 16.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 75.03 110.868 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.742 HD11 ' C ' ' A' ' 102' ' ' PRO . 9.6 mt -80.43 -178.01 6.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 74.24 110.924 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.9 tmm_? -143.85 117.82 9.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 71.11 110.88 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.527 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 9.6 t -50.81 120.35 4.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 65.02 110.903 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -76.89 1.21 18.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.138 -0.483 . . . . 70.11 110.921 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.486 ' HB3' HD11 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -117.74 -20.68 8.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.443 . . . . 74.12 110.938 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.527 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 8.1 m -110.11 -21.49 12.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 72.01 110.853 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 60.04 36.31 21.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 71.22 110.965 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -142.14 178.96 7.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 64.33 111.138 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -65.06 131.28 46.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.316 -0.402 . . . . 74.53 110.882 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -108.44 111.75 23.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 74.24 111.091 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -64.3 -66.32 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 72.22 110.964 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.3 m -117.54 70.47 6.58 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.616 0.722 . . . . 71.52 110.944 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.647 ' CG ' HD12 ' A' ' 55' ' ' LEU . 54.2 Cg_endo -69.68 148.57 65.86 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.691 2.26 . . . . 74.22 112.349 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.548 ' HB2' HD21 ' A' ' 81' ' ' LEU . 33.6 mmtp -122.61 156.09 34.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 73.44 110.838 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 49.0 mt -99.87 92.6 5.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 43.35 110.909 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.408 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 20.1 mt -49.09 161.61 0.43 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.56 0.695 . . . . 71.05 110.916 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.408 ' HD2' ' HB3' ' A' ' 70' ' ' LEU . 53.7 Cg_endo -69.78 -6.81 19.49 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.725 2.283 . . . . 73.5 112.354 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.523 ' O ' HD12 ' A' ' 73' ' ' LEU . 98.9 m -101.7 13.43 34.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 71.12 110.846 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.851 HD22 HD13 ' A' ' 97' ' ' LEU . 0.5 OUTLIER 69.6 32.28 3.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 73.21 110.939 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -100.84 164.53 11.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.198 -0.455 . . . . 75.22 110.844 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.1 m -122.49 105.46 10.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 74.21 111.185 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.714 HD23 ' HB3' ' A' ' 80' ' ' CYS . 2.8 mp -116.57 171.67 7.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 51.52 110.913 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 29.5 p -100.69 158.77 15.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 71.55 110.912 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.94 -54.3 16.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 53.44 110.844 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.27 -30.31 39.61 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.766 -0.731 . . . . 43.32 112.467 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.714 ' HB3' HD23 ' A' ' 76' ' ' LEU . 1.1 m -74.15 -32.9 63.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.897 0.379 . . . . 74.13 110.887 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.586 HD13 ' HA ' ' A' ' 86' ' ' MET . 3.4 mm? -67.26 -43.22 82.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 74.23 110.888 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -78.67 -46.45 19.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 72.53 110.939 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.34 -53.88 25.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 72.44 111.067 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.47 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.1 OUTLIER -83.69 13.75 4.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 72.32 110.841 -179.779 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 40.02 46.57 3.23 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.769 -0.729 . . . . 74.04 112.443 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.586 ' HA ' HD13 ' A' ' 81' ' ' LEU . 14.5 mtm 64.9 36.42 7.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.691 0.281 . . . . 53.03 110.875 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.47 ' HB2' ' O ' ' A' ' 84' ' ' SER . 0.9 OUTLIER -63.7 -165.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 74.24 110.897 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -143.71 71.63 17.25 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.61 0.719 . . . . 52.14 110.834 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.598 ' HG2' HD11 ' A' ' 76' ' ' LEU . 53.3 Cg_endo -69.84 -41.39 4.22 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.597 2.198 . . . . 62.02 112.369 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.486 HD11 ' HB3' ' A' ' 59' ' ' GLN . 17.8 mm -66.46 -20.09 26.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.438 . . . . 63.44 111.099 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.29 -22.96 13.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 73.44 110.89 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 82.6 mm-40 -82.58 -32.08 28.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 75.44 110.85 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.445 ' HA ' ' HD2' ' A' ' 94' ' ' PRO . . . -102.77 101.61 21.81 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.555 0.693 . . . . 72.13 111.082 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.445 ' HD2' ' HA ' ' A' ' 93' ' ' ALA . 53.7 Cg_endo -69.77 73.28 1.39 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.603 2.202 . . . . 65.42 112.381 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.411 ' HB2' ' HD2' ' A' ' 96' ' ' PRO . 0.2 OUTLIER -89.16 157.45 47.99 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.58 0.705 . . . . 72.32 110.903 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.411 ' HD2' ' HB2' ' A' ' 95' ' ' TRP . 53.8 Cg_endo -69.79 115.34 4.05 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.665 2.243 . . . . 74.21 112.348 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.851 HD13 HD22 ' A' ' 73' ' ' LEU . 0.9 OUTLIER -92.45 43.38 1.13 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 75.41 110.906 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -50.25 -73.8 0.34 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.779 -0.724 . . . . 45.1 112.46 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -103.65 99.49 9.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.707 0.289 . . . . 52.12 111.19 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -111.02 100.86 9.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.265 -0.425 . . . . 73.42 110.893 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.528 HG22 ' HD2' ' A' ' 102' ' ' PRO . 0.0 OUTLIER -142.27 158.26 61.48 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.565 0.697 . . . . 71.21 111.172 -179.892 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.742 ' C ' HD11 ' A' ' 55' ' ' LEU . 53.7 Cg_endo -69.81 -174.43 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.692 2.261 . . . . 62.43 112.281 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.538 ' N ' HD11 ' A' ' 55' ' ' LEU . . . -89.05 151.78 22.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 73.33 111.087 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 8.2 mp . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 74.14 110.9 -179.944 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.9 mp0 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.831 0.348 . . . . 74.54 110.885 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -133.63 124.57 27.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 73.31 110.892 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -148.84 -175.02 4.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.488 . . . . 71.44 110.91 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -107.11 118.94 38.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 64.25 110.924 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -53.23 109.01 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 62.23 110.925 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -151.58 166.61 30.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 75.03 110.882 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.569 HD11 ' N ' ' A' ' 103' ' ' ALA . 6.1 mt -123.44 -168.17 1.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 74.24 110.905 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.0 tmm_? -145.03 117.85 8.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 71.11 110.849 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.548 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 8.8 t -51.51 122.22 7.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 65.02 110.882 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -77.48 1.23 19.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 70.11 110.942 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.408 ' HB3' HD11 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -118.76 -21.27 7.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.455 . . . . 74.12 110.915 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.548 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 8.8 m -108.92 -24.1 11.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 72.01 110.917 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 63.19 36.62 11.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 71.22 110.926 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -141.97 178.05 7.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 64.33 111.092 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -64.32 130.58 44.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 74.53 110.958 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.54 108.42 19.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 74.24 111.125 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.4 mtmm -63.82 -60.72 2.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 72.22 110.94 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.6 m -125.46 70.9 64.55 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.57 0.7 . . . . 71.52 110.864 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.452 ' HG3' HD12 ' A' ' 55' ' ' LEU . 53.7 Cg_endo -69.7 151.68 69.48 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.678 2.252 . . . . 74.22 112.334 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.534 ' HB2' HD21 ' A' ' 81' ' ' LEU . 6.2 mmtt -126.89 156.45 41.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 73.44 110.95 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.774 HD13 ' HB3' ' A' ' 102' ' ' PRO . 1.5 mp -95.21 93.78 7.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 43.35 110.858 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.452 HD12 ' HB2' ' A' ' 74' ' ' HIS . 19.8 mt -48.36 161.66 0.38 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.682 0.753 . . . . 71.05 110.888 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -7.47 21.12 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.693 2.262 . . . . 73.5 112.347 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.404 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 67.8 m -103.97 15.64 28.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 71.12 110.935 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.732 HD12 HD22 ' A' ' 97' ' ' LEU . 8.9 mt 69.31 26.53 5.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.071 -0.513 . . . . 73.21 110.916 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.452 ' HB2' HD12 ' A' ' 70' ' ' LEU . 4.3 m-70 -96.28 164.79 12.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.265 -0.425 . . . . 75.22 110.871 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 24.0 m -120.6 111.0 17.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 74.21 111.131 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.742 HD23 ' HB3' ' A' ' 80' ' ' CYS . 2.8 mp -122.38 171.95 8.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 51.52 110.89 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 31.1 p -99.06 160.64 14.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 71.55 110.889 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.59 -54.79 19.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 53.44 110.838 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.09 -29.18 35.32 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.826 -0.702 . . . . 43.32 112.49 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.742 ' HB3' HD23 ' A' ' 76' ' ' LEU . 1.1 m -74.77 -33.96 62.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.856 0.36 . . . . 74.13 110.835 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.585 HD12 ' HG2' ' A' ' 86' ' ' MET . 2.9 mm? -66.68 -42.41 86.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 74.23 110.961 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -79.3 -49.66 12.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 72.53 110.901 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.39 -53.82 42.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 72.44 111.075 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.518 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.8 OUTLIER -83.32 13.2 4.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 72.32 110.815 -179.734 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 39.52 46.17 2.74 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.763 -0.732 . . . . 74.04 112.481 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.585 ' HG2' HD12 ' A' ' 81' ' ' LEU . 5.0 mtp 67.09 36.28 4.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.693 0.282 . . . . 53.03 110.865 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.518 ' HB2' ' O ' ' A' ' 84' ' ' SER . 0.6 OUTLIER -63.46 -166.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 74.24 110.893 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -142.95 71.87 18.79 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.642 0.734 . . . . 52.14 110.906 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.732 ' HG2' HD11 ' A' ' 76' ' ' LEU . 53.6 Cg_endo -69.84 -41.84 3.83 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.639 2.226 . . . . 62.02 112.335 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.408 HD11 ' HB3' ' A' ' 59' ' ' GLN . 18.5 mm -64.54 -14.9 16.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 63.44 111.159 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . 0.814 ' SG ' 'ZN ' ' A' ' 202' ' ' ' ZN' . 0.0 OUTLIER -71.99 -6.97 45.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.473 . . . . 73.44 110.847 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -57.05 -36.19 70.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 75.44 110.96 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -138.6 143.65 38.96 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.596 0.712 . . . . 72.13 111.125 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 72.31 1.44 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.732 2.288 . . . . 65.42 112.363 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 1.6 p-90 -74.42 157.61 86.16 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.506 0.669 . . . . 72.32 110.944 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 115.39 4.06 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.702 2.268 . . . . 74.21 112.346 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.732 HD22 HD12 ' A' ' 73' ' ' LEU . 3.4 pp -96.94 -173.23 2.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.26 -0.427 . . . . 75.41 110.98 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 104.94 16.84 15.67 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 45.1 112.525 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -121.22 45.85 2.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.808 0.337 . . . . 52.12 111.147 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -62.07 94.21 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 73.42 110.85 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.1 72.3 18.33 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.487 0.66 . . . . 71.21 111.097 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.774 ' HB3' HD13 ' A' ' 69' ' ' LEU . 53.7 Cg_endo -69.75 155.32 66.27 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.687 2.258 . . . . 62.43 112.366 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.569 ' N ' HD11 ' A' ' 55' ' ' LEU . . . -75.67 151.77 37.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.312 -0.404 . . . . 73.33 111.097 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 6.3 mp . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 74.14 110.942 -179.943 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . 0.814 'ZN ' ' SG ' ' A' ' 91' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.818 0.342 . . . . 74.54 110.893 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -105.49 174.15 6.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 73.31 110.924 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -151.71 178.95 8.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 71.44 110.92 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.5 p90 -117.72 169.6 9.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 64.25 110.908 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 -100.89 66.9 1.19 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 62.23 110.882 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -148.02 162.91 38.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 75.03 110.83 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.563 HD11 ' C ' ' A' ' 102' ' ' PRO . 8.9 mt -112.86 -169.05 1.41 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.086 -0.506 . . . . 74.24 110.928 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -151.55 117.66 5.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 71.11 110.889 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.521 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 10.2 t -50.5 119.11 3.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 65.02 110.839 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -76.33 1.73 15.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 70.11 110.983 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.423 ' HB3' HD11 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -117.81 -20.97 8.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 74.12 110.949 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.521 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 8.7 m -109.63 -24.07 11.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 72.01 110.853 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 63.06 37.81 11.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 71.22 110.838 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -144.34 179.27 7.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.292 -0.413 . . . . 64.33 111.091 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -66.84 128.98 38.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 74.53 110.921 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -105.93 112.77 25.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 74.24 111.152 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.86 -66.47 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 72.22 110.939 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.5 m -117.36 71.08 6.38 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.624 0.726 . . . . 71.52 110.893 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.463 ' CG ' HD12 ' A' ' 55' ' ' LEU . 54.1 Cg_endo -69.69 147.8 64.13 Favored 'Trans proline' 0 N--CA 1.465 -0.196 0 C-N-CA 122.742 2.295 . . . . 74.22 112.404 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.452 ' HB2' HD21 ' A' ' 81' ' ' LEU . 21.0 mmtm -123.59 156.25 36.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 73.44 110.876 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.498 HD23 ' HD3' ' A' ' 102' ' ' PRO . 1.9 mm? -97.51 95.87 7.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 43.35 110.907 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.413 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 19.9 mt -49.09 162.45 0.39 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.648 0.737 . . . . 71.05 110.919 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.413 ' HD2' ' HB3' ' A' ' 70' ' ' LEU . 53.8 Cg_endo -69.73 -6.28 18.2 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.697 2.264 . . . . 73.5 112.329 179.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 86.5 m -104.34 12.68 33.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 71.12 110.851 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.822 HD12 HD13 ' A' ' 97' ' ' LEU . 6.5 mt 70.34 34.52 2.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 73.21 110.869 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.424 ' O ' HD13 ' A' ' 69' ' ' LEU . 4.5 m-70 -102.55 164.7 11.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 75.22 110.894 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.0 m -118.53 110.16 17.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 74.21 111.159 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.729 HD23 ' HB3' ' A' ' 80' ' ' CYS . 2.6 mp -122.84 171.19 9.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.256 -0.429 . . . . 51.52 110.901 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 30.0 p -99.95 160.78 14.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 71.55 110.829 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.76 -54.9 19.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 53.44 110.853 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.1 -29.4 35.96 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.756 -0.735 . . . . 43.32 112.506 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.729 ' HB3' HD23 ' A' ' 76' ' ' LEU . 1.0 OUTLIER -73.71 -34.03 64.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.91 0.386 . . . . 74.13 110.835 -179.843 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.517 HD13 ' HA ' ' A' ' 86' ' ' MET . 1.4 mm? -66.29 -43.69 85.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 74.23 110.916 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -77.68 -48.34 16.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 72.53 110.804 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.51 -54.26 30.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 72.44 111.07 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.511 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.9 OUTLIER -83.06 12.55 4.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 72.32 110.845 -179.775 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 39.62 45.59 2.72 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.762 -0.733 . . . . 74.04 112.536 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.517 ' HA ' HD13 ' A' ' 81' ' ' LEU . 1.3 mtm 67.94 36.04 3.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.784 0.326 . . . . 53.03 110.877 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.511 ' HB2' ' O ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -63.85 -165.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.268 -0.423 . . . . 74.24 110.928 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -143.11 72.01 18.34 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.657 0.741 . . . . 52.14 110.92 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.72 ' HG2' HD11 ' A' ' 76' ' ' LEU . 53.9 Cg_endo -69.8 -42.37 3.42 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.625 2.216 . . . . 62.02 112.342 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.423 HD11 ' HB3' ' A' ' 59' ' ' GLN . 18.5 mm -64.06 -15.54 17.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 63.44 111.188 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . 0.811 ' SG ' 'ZN ' ' A' ' 202' ' ' ' ZN' . 0.0 OUTLIER -70.36 -9.23 55.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 73.44 110.87 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 38.1 mm-40 -57.59 -37.49 73.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 75.44 110.921 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -139.36 145.02 42.47 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.54 0.686 . . . . 72.13 111.126 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 64.28 1.77 Allowed 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.743 2.295 . . . . 65.42 112.329 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -65.38 157.25 78.81 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-O 121.538 0.685 . . . . 72.32 110.894 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 117.43 5.08 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.663 2.242 . . . . 74.21 112.351 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.822 HD13 HD12 ' A' ' 73' ' ' LEU . 0.3 OUTLIER -104.47 -176.03 2.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 75.41 110.884 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -177.84 27.57 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.72 -0.752 . . . . 45.1 112.458 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 54.08 36.3 24.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.833 0.349 . . . . 52.12 111.094 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -62.53 113.4 2.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 73.42 110.853 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -60.1 159.7 20.13 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.586 0.708 . . . . 71.21 111.145 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.563 ' C ' HD11 ' A' ' 55' ' ' LEU . 53.5 Cg_endo -69.84 -170.67 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.632 2.222 . . . . 62.43 112.289 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.536 ' N ' HD11 ' A' ' 55' ' ' LEU . . . -91.98 151.82 20.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 73.33 111.086 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 8.2 mp . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.223 -0.444 . . . . 74.14 110.877 -179.936 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . 0.811 'ZN ' ' SG ' ' A' ' 91' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.77 0.319 . . . . 74.54 110.869 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -114.93 172.82 6.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 73.31 110.907 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -94.0 -175.8 3.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 71.44 110.93 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -126.1 105.29 8.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 64.25 110.872 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.551 ' O ' ' HB1' ' A' ' 103' ' ' ALA . 1.5 pm0 -108.08 66.47 0.65 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.176 -0.466 . . . . 62.23 110.9 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -147.88 137.66 22.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 75.03 110.947 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.624 HD12 ' N ' ' A' ' 56' ' ' ARG . 2.0 pp -129.18 171.0 12.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.466 . . . . 74.24 110.935 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.624 ' N ' HD12 ' A' ' 55' ' ' LEU . 3.9 tmm_? -107.88 120.64 42.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 71.11 110.851 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.541 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 9.2 t -52.86 122.91 10.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 65.02 110.854 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -77.4 1.58 18.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 70.11 110.916 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.511 ' HB3' HD11 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -119.58 -22.49 6.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 74.12 110.873 -179.917 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.541 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 10.3 m -108.06 -24.04 11.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 72.01 110.889 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 63.9 34.91 11.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 71.22 110.919 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -140.95 178.9 7.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 64.33 111.096 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -63.59 131.35 47.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 74.53 110.925 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -107.13 107.2 18.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 74.24 111.074 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.7 mtmt -61.97 -70.99 0.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 72.22 110.915 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.6 m -116.5 71.56 4.92 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.537 0.684 . . . . 71.52 110.869 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.596 ' HB2' HD21 ' A' ' 55' ' ' LEU . 54.8 Cg_endo -69.74 163.92 36.45 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.657 2.238 . . . . 74.22 112.408 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.454 ' HB2' HD21 ' A' ' 81' ' ' LEU . 1.2 mmmp? -138.41 156.06 47.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.289 -0.414 . . . . 73.44 110.954 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.781 HD11 ' HB2' ' A' ' 100' ' ' ASP . 0.9 OUTLIER -95.9 95.62 8.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.275 -0.421 . . . . 43.35 110.922 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.415 HD12 ' HB2' ' A' ' 74' ' ' HIS . 19.8 mt -50.45 161.86 0.58 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.541 0.686 . . . . 71.05 110.955 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.401 ' HD2' ' HB3' ' A' ' 70' ' ' LEU . 54.3 Cg_endo -69.73 -7.38 20.91 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.647 2.231 . . . . 73.5 112.36 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 68.2 m -102.98 15.26 29.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 71.12 110.899 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.976 HD12 HD13 ' A' ' 97' ' ' LEU . 6.3 mt 71.58 21.36 4.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 73.21 110.911 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.415 ' HB2' HD12 ' A' ' 70' ' ' LEU . 4.3 m-70 -92.9 165.02 13.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 75.22 110.872 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -125.25 112.14 16.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 74.21 111.129 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.81 HD23 ' HB3' ' A' ' 80' ' ' CYS . 4.0 mp -120.33 171.75 8.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 51.52 110.891 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.847 ' HG ' 'ZN ' ' A' ' 201' ' ' ' ZN' . 30.1 p -96.83 166.64 11.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 71.55 110.847 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 63.5 p -53.9 -56.8 14.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 53.44 110.821 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -52.83 -27.74 29.55 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.688 -0.767 . . . . 43.32 112.517 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.81 ' HB3' HD23 ' A' ' 76' ' ' LEU . 1.1 m -74.4 -35.49 63.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.844 0.354 . . . . 74.13 110.862 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.505 HD13 ' HA ' ' A' ' 86' ' ' MET . 1.8 mm? -66.22 -42.73 88.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 74.23 110.855 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -78.25 -52.17 9.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 72.53 110.882 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.37 -54.37 41.34 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.159 -0.473 . . . . 72.44 111.12 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.524 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.1 OUTLIER -83.98 12.09 6.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 72.32 110.83 -179.792 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 38.86 47.24 2.39 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.724 -0.751 . . . . 74.04 112.531 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.505 ' HA ' HD13 ' A' ' 81' ' ' LEU . 1.6 mtm 66.54 35.86 5.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.675 0.274 . . . . 53.03 110.902 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.524 ' HB2' ' O ' ' A' ' 84' ' ' SER . 0.6 OUTLIER -63.12 -165.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 74.24 110.847 -179.886 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -141.24 71.93 27.04 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.645 0.736 . . . . 52.14 110.93 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.681 ' HG2' HD11 ' A' ' 76' ' ' LEU . 53.6 Cg_endo -69.79 -41.37 4.29 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.673 2.249 . . . . 62.02 112.31 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.511 HD11 ' HB3' ' A' ' 59' ' ' GLN . 16.3 mm -65.02 -15.0 17.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 63.44 111.107 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . 0.756 ' SG ' 'ZN ' ' A' ' 202' ' ' ' ZN' . 0.1 OUTLIER -74.67 -5.25 42.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 73.44 110.84 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -57.49 -33.59 68.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 75.44 110.939 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -138.76 149.0 60.52 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.633 0.73 . . . . 72.13 111.117 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 64.96 1.78 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.699 2.266 . . . . 65.42 112.369 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -68.18 158.35 84.52 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.544 0.688 . . . . 72.32 110.879 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 134.5 28.02 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.679 2.253 . . . . 74.21 112.342 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.976 HD13 HD12 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -121.69 -173.61 2.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 75.41 110.97 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 108.74 5.57 31.26 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.746 -0.74 . . . . 45.1 112.448 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -155.03 92.43 1.44 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.814 0.34 . . . . 52.12 111.138 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.781 ' HB2' HD11 ' A' ' 69' ' ' LEU . 9.1 m-20 -121.21 100.03 6.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 73.42 110.812 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -110.61 83.03 3.14 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.566 0.698 . . . . 71.21 111.133 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 159.03 54.97 Favored 'Trans proline' 0 N--CA 1.466 -0.127 0 C-N-CA 122.721 2.281 . . . . 62.43 112.393 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.551 ' HB1' ' O ' ' A' ' 53' ' ' GLN . . . -91.36 152.0 20.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.227 -0.442 . . . . 73.33 111.078 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 74.14 110.904 -179.975 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . 0.847 'ZN ' ' HG ' ' A' ' 77' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . 0.756 'ZN ' ' SG ' ' A' ' 91' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 . . . . . 0 CA--C 1.526 0.048 0 CA-C-O 120.825 0.345 . . . . 74.54 110.866 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -107.46 156.93 18.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 73.31 110.882 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -115.2 124.75 52.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 71.44 110.883 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -58.74 138.7 56.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 64.25 110.942 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -116.86 68.09 0.74 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 62.23 110.938 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -139.97 137.5 34.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 75.03 110.853 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.663 HD11 ' N ' ' A' ' 103' ' ' ALA . 9.1 mt -97.36 -168.62 1.72 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 74.24 110.834 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.3 tmm_? -153.18 117.28 4.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 71.11 110.903 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.541 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 9.1 t -49.67 121.57 5.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 65.02 110.828 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -77.43 0.88 20.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 70.11 110.89 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.461 ' HB3' HD11 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -117.61 -21.71 8.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 74.12 110.878 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.541 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 7.3 m -108.39 -24.47 11.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 72.01 110.812 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 63.44 35.15 12.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.226 -0.443 . . . . 71.22 110.843 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -141.24 178.42 7.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 64.33 111.131 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -63.26 133.46 54.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.237 -0.438 . . . . 74.53 110.903 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -107.94 108.88 20.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 74.24 111.149 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt -64.44 -62.88 1.32 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 72.22 110.872 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.3 m -122.29 70.23 32.48 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.586 0.707 . . . . 71.52 110.897 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.445 ' CG ' HD12 ' A' ' 55' ' ' LEU . 53.4 Cg_endo -69.81 151.49 68.77 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.689 2.259 . . . . 74.22 112.28 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.552 ' HB2' HD21 ' A' ' 81' ' ' LEU . 8.1 mtpp -126.74 156.12 41.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 73.44 110.918 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.673 HD11 ' HD3' ' A' ' 102' ' ' PRO . 28.3 mt -96.62 92.43 6.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 43.35 110.936 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.419 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 19.6 mt -47.73 162.42 0.31 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.605 0.717 . . . . 71.05 110.858 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.419 ' HD2' ' HB3' ' A' ' 70' ' ' LEU . 54.1 Cg_endo -69.65 -6.79 19.39 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.697 2.265 . . . . 73.5 112.354 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 75.9 m -103.77 15.29 29.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 71.12 110.93 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.829 HD12 ' HB3' ' A' ' 97' ' ' LEU . 9.1 mt 67.9 31.54 5.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 73.21 110.904 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -99.8 164.63 11.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.295 -0.411 . . . . 75.22 110.839 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 41.9 m -120.28 105.74 11.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 74.21 111.14 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.73 HD23 ' HB3' ' A' ' 80' ' ' CYS . 2.7 mp -117.73 171.44 8.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 51.52 110.898 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 30.3 p -99.92 160.42 14.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 71.55 110.926 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.06 -55.21 15.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 53.44 110.886 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -52.69 -29.67 33.48 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.704 -0.76 . . . . 43.32 112.482 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.73 ' HB3' HD23 ' A' ' 76' ' ' LEU . 1.1 m -74.53 -33.72 62.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.904 0.383 . . . . 74.13 110.872 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.599 HD12 ' HG2' ' A' ' 86' ' ' MET . 3.0 mm? -66.65 -43.15 85.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 74.23 110.911 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -78.38 -50.27 12.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 72.53 110.835 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.39 -53.55 50.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.135 -0.484 . . . . 72.44 111.069 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.542 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.1 OUTLIER -84.87 13.25 6.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 72.32 110.823 -179.719 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 38.52 48.24 2.28 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.744 -0.741 . . . . 74.04 112.517 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.599 ' HG2' HD12 ' A' ' 81' ' ' LEU . 25.2 mtm 65.78 35.97 6.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.794 0.331 . . . . 53.03 110.924 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.542 ' HB2' ' O ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -63.37 -165.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 74.24 110.905 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -143.06 72.65 18.37 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.639 0.733 . . . . 52.14 110.88 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.672 ' HG2' HD11 ' A' ' 76' ' ' LEU . 53.5 Cg_endo -69.75 -40.66 5.07 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.687 2.258 . . . . 62.02 112.3 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.461 HD11 ' HB3' ' A' ' 59' ' ' GLN . 15.3 mm -65.44 -14.42 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 63.44 111.19 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . 0.81 ' HG ' 'ZN ' ' A' ' 202' ' ' ' ZN' . 0.1 OUTLIER -78.78 -1.38 34.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 73.44 110.874 179.885 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -58.15 -29.59 65.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 75.44 110.965 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -137.74 152.94 73.51 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.608 0.718 . . . . 72.13 111.114 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 66.56 1.74 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.686 2.257 . . . . 65.42 112.445 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -76.88 160.36 76.73 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.575 0.702 . . . . 72.32 110.932 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 114.98 3.87 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.727 2.285 . . . . 74.21 112.381 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.829 ' HB3' HD12 ' A' ' 73' ' ' LEU . 4.1 mp -71.9 174.9 6.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 75.41 110.891 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.0 99.19 0.83 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.743 -0.741 . . . . 45.1 112.457 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 179.75 35.72 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.914 0.388 . . . . 52.12 111.155 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -66.52 91.78 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 73.42 110.856 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -143.25 74.24 17.53 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 121.551 0.691 . . . . 71.21 111.136 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.673 ' HD3' HD11 ' A' ' 69' ' ' LEU . 53.6 Cg_endo -69.77 151.04 68.9 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.743 2.295 . . . . 62.43 112.323 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.663 ' N ' HD11 ' A' ' 55' ' ' LEU . . . -69.39 153.92 42.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 73.33 111.12 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.456 . . . . 74.14 110.863 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . 0.81 'ZN ' ' HG ' ' A' ' 91' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.737 0.303 . . . . 74.54 110.849 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -97.53 178.59 5.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 73.31 110.875 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -73.33 -29.06 62.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 71.44 110.855 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -162.22 165.41 26.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 64.25 110.892 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.4 pm0 -110.73 66.48 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 62.23 110.907 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -150.06 135.53 18.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 75.03 110.877 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.615 HD12 ' N ' ' A' ' 56' ' ' ARG . 2.5 pp -127.9 174.68 8.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 74.24 110.894 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.615 ' N ' HD12 ' A' ' 55' ' ' LEU . 3.0 tmm_? -110.91 129.1 55.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.205 -0.452 . . . . 71.11 110.856 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.557 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 9.1 t -60.81 123.91 18.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 65.02 110.845 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 23.4 mm100 -77.5 1.29 19.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 70.11 110.886 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.619 ' HB3' HD11 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -119.62 -22.86 6.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 74.12 110.914 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.557 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 10.6 m -107.64 -23.72 12.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 72.01 110.918 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 63.68 36.51 10.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 71.22 110.893 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -142.99 177.44 8.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 64.33 111.127 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -62.11 131.46 49.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 74.53 110.844 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -108.35 107.52 18.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.472 . . . . 74.24 111.11 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.7 mtmt -62.64 -71.18 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 72.22 110.875 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.6 m -114.08 71.91 2.15 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.619 0.723 . . . . 71.52 110.866 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.583 ' HB2' HD21 ' A' ' 55' ' ' LEU . 53.0 Cg_endo -69.72 163.05 39.68 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.714 2.276 . . . . 74.22 112.325 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.442 ' HB2' HD21 ' A' ' 81' ' ' LEU . 45.8 mmtm -139.5 156.07 47.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.188 -0.46 . . . . 73.44 110.85 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.2 mt -94.69 114.04 25.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 43.35 110.915 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.528 HD21 HD13 ' A' ' 76' ' ' LEU . 4.6 mm? -50.86 161.23 0.69 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.605 0.717 . . . . 71.05 110.946 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.417 ' HD2' HD12 ' A' ' 70' ' ' LEU . 53.8 Cg_endo -69.74 -7.9 22.23 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.692 2.261 . . . . 73.5 112.312 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.48 ' O ' HD23 ' A' ' 73' ' ' LEU . 3.8 m -106.39 -71.38 0.75 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 71.12 110.942 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.749 ' HB3' HD22 ' A' ' 97' ' ' LEU . 0.3 OUTLIER 175.14 55.25 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 73.21 110.92 179.92 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -133.97 165.39 25.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 75.22 110.898 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.0 m -125.03 117.28 23.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 74.21 111.145 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.785 HD23 ' HB3' ' A' ' 80' ' ' CYS . 2.9 mp -119.86 172.09 7.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 51.52 110.931 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 31.5 p -97.82 160.86 14.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 71.55 110.884 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.07 -53.99 28.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 53.44 110.921 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.71 -28.65 38.97 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.768 -0.729 . . . . 43.32 112.463 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.785 ' HB3' HD23 ' A' ' 76' ' ' LEU . 1.1 m -74.66 -32.88 62.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.908 0.385 . . . . 74.13 110.922 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.643 HD13 ' HA ' ' A' ' 86' ' ' MET . 0.9 OUTLIER -67.27 -43.34 82.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 74.23 110.941 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -78.15 -44.15 26.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 72.53 110.85 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.93 -52.81 31.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 72.44 111.14 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.565 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.7 OUTLIER -83.16 14.83 3.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 72.32 110.887 -179.849 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 39.8 44.5 2.63 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.722 -0.752 . . . . 74.04 112.438 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.643 ' HA ' HD13 ' A' ' 81' ' ' LEU . 0.2 OUTLIER 69.15 36.74 2.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.658 0.266 . . . . 53.03 110.833 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.565 ' HB2' ' O ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -68.74 -163.71 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.302 -0.408 . . . . 74.24 110.901 -179.918 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -152.58 72.19 7.43 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.574 0.702 . . . . 52.14 110.858 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 -37.87 8.52 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.718 2.278 . . . . 62.02 112.299 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.619 HD11 ' HB3' ' A' ' 59' ' ' GLN . 21.7 mm -68.37 -15.8 20.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 63.44 111.154 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.37 -19.59 23.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 73.44 110.883 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -70.56 -10.22 58.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 75.44 110.938 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -117.23 83.04 15.14 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.54 0.686 . . . . 72.13 111.079 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 94.55 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.68 2.254 . . . . 65.42 112.338 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.416 ' HB2' ' HD2' ' A' ' 96' ' ' PRO . 1.3 p-90 -130.14 155.56 80.58 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.555 0.693 . . . . 72.32 110.915 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.416 ' HD2' ' HB2' ' A' ' 95' ' ' TRP . 53.9 Cg_endo -69.75 123.04 9.71 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.66 2.24 . . . . 74.21 112.363 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.749 HD22 ' HB3' ' A' ' 73' ' ' LEU . 0.4 OUTLIER -89.58 165.82 14.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 75.41 110.875 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 172.81 -25.84 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 45.1 112.498 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -126.66 87.45 2.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.835 0.35 . . . . 52.12 111.088 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -128.2 112.85 14.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 73.42 110.857 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.33 87.64 36.05 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.547 0.689 . . . . 71.21 111.143 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 159.05 54.9 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.652 2.234 . . . . 62.43 112.401 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -82.74 153.79 25.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 73.33 111.063 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 74.14 110.914 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.8 0.334 . . . . 74.54 110.924 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -110.82 174.39 5.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 73.31 110.973 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -131.03 -174.07 3.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 71.44 110.868 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -106.1 159.93 15.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 64.25 110.888 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.544 ' HG2' HD13 ' A' ' 104' ' ' LEU . 0.8 OUTLIER -91.38 97.45 11.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 62.23 110.982 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -142.44 149.4 39.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 75.03 110.964 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.452 HD11 ' HA ' ' A' ' 102' ' ' PRO . 53.1 mt -94.12 170.05 9.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 74.24 110.926 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? -139.37 116.59 11.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 71.11 110.846 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.514 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 10.2 t -49.84 119.35 3.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 65.02 110.913 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 23.7 mm100 -76.5 0.89 18.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 70.11 110.883 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.81 -20.86 9.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 74.12 110.901 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.514 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 7.2 m -109.44 -24.69 10.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 72.01 110.942 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 63.68 37.16 10.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 71.22 110.921 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -142.63 177.9 7.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 64.33 111.07 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.49 132.61 53.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 74.53 110.827 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -110.73 109.51 19.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 74.24 111.09 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.82 -67.78 0.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 72.22 110.826 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.425 ' HB3' ' HB2' ' A' ' 78' ' ' SER . 0.9 OUTLIER -118.6 71.74 10.08 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.632 0.73 . . . . 71.52 110.84 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.404 ' HG2' HD12 ' A' ' 55' ' ' LEU . 54.2 Cg_endo -69.71 141.81 46.45 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.736 2.29 . . . . 74.22 112.32 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.551 ' HB2' HD21 ' A' ' 81' ' ' LEU . 14.3 mmmm -116.11 156.23 26.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 73.44 110.947 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.718 HD11 ' O ' ' A' ' 100' ' ' ASP . 5.0 mt -98.7 94.8 6.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.212 -0.449 . . . . 43.35 110.959 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.414 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 19.7 mt -47.65 162.39 0.31 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.657 0.742 . . . . 71.05 110.943 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.414 ' HD2' ' HB3' ' A' ' 70' ' ' LEU . 54.0 Cg_endo -69.75 -6.39 18.49 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.72 2.28 . . . . 73.5 112.371 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 81.5 m -103.82 14.0 31.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 71.12 110.865 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.811 HD12 HD12 ' A' ' 97' ' ' LEU . 10.3 mt 69.08 33.61 3.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 73.21 110.873 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.494 ' O ' HD23 ' A' ' 69' ' ' LEU . 4.5 m-70 -101.93 164.76 11.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 75.22 110.874 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 94.8 m -119.55 113.61 20.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.296 -0.411 . . . . 74.21 111.161 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.741 HD11 ' HG2' ' A' ' 89' ' ' PRO . 3.0 mp -126.26 171.75 10.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 51.52 110.898 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 27.8 p -100.46 161.01 13.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 71.55 110.862 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.425 ' HB2' ' HB3' ' A' ' 66' ' ' CYS . 0.0 OUTLIER -50.29 -54.31 22.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 53.44 110.823 -179.799 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.42 -31.91 44.2 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.753 -0.737 . . . . 43.32 112.49 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.735 ' HB3' HD23 ' A' ' 76' ' ' LEU . 1.1 m -71.4 -33.47 69.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.837 0.351 . . . . 74.13 110.866 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.588 HD13 ' HA ' ' A' ' 86' ' ' MET . 2.9 mm? -66.52 -43.4 85.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 74.23 110.909 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -79.54 -48.97 12.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 72.53 110.873 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.03 -55.44 16.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 72.44 111.11 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.43 ' CB ' ' HB2' ' A' ' 87' ' ' GLN . 0.8 OUTLIER -81.82 13.31 3.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 72.32 110.89 -179.806 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 40.62 46.58 3.74 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 74.04 112.432 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.588 ' HA ' HD13 ' A' ' 81' ' ' LEU . 0.3 OUTLIER 62.8 35.45 13.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.705 0.288 . . . . 53.03 110.9 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.43 ' HB2' ' CB ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -61.98 -168.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 74.24 110.906 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -137.9 70.01 50.36 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.639 0.733 . . . . 52.14 110.844 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.741 ' HG2' HD11 ' A' ' 76' ' ' LEU . 52.8 Cg_endo -69.84 -42.38 3.37 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.678 2.252 . . . . 62.02 112.269 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.441 HG21 ' CD1' ' A' ' 95' ' ' TRP . 30.2 mm -63.99 -26.04 39.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 63.44 111.177 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . 0.86 ' SG ' 'ZN ' ' A' ' 202' ' ' ' ZN' . 0.0 OUTLIER -51.24 -24.86 4.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 73.44 110.913 179.883 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -98.7 -26.26 14.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 75.44 110.953 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -72.55 152.49 91.74 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.601 0.715 . . . . 72.13 111.089 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.76 -5.33 15.96 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.645 2.23 . . . . 65.42 112.324 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.441 ' CD1' HG21 ' A' ' 90' ' ' ILE . 9.2 t-105 -52.79 120.25 18.36 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.602 0.715 . . . . 72.32 110.919 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 157.56 59.79 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.621 2.214 . . . . 74.21 112.346 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.811 HD12 HD12 ' A' ' 73' ' ' LEU . 0.2 OUTLIER -99.47 172.02 7.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 75.41 110.936 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 176.11 -148.07 9.01 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.75 -0.738 . . . . 45.1 112.491 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -113.5 14.82 19.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.745 0.307 . . . . 52.12 111.08 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.718 ' O ' HD11 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -49.1 110.71 0.39 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 73.42 110.887 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.05 160.88 81.48 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.614 0.721 . . . . 71.21 111.126 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.452 ' HA ' HD11 ' A' ' 55' ' ' LEU . 53.2 Cg_endo -69.78 -170.82 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.633 2.222 . . . . 62.43 112.369 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -88.72 152.15 21.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 73.33 111.103 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.544 HD13 ' HG2' ' A' ' 53' ' ' GLN . 10.4 mp . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 74.14 110.924 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . 0.86 'ZN ' ' SG ' ' A' ' 91' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.759 0.314 . . . . 74.54 110.92 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -95.19 -178.23 4.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 73.31 110.906 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -53.95 173.05 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 71.44 110.883 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.1 p90 -52.77 162.28 0.62 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 64.25 110.884 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.44 78.53 1.49 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 62.23 110.949 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -140.2 154.71 47.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 75.03 110.919 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.61 HD11 ' C ' ' A' ' 102' ' ' PRO . 22.4 mt -79.39 174.19 11.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 74.24 110.959 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.0 tmm_? -142.94 115.84 8.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 71.11 110.822 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.532 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 8.9 t -51.74 121.77 7.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 65.02 110.895 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -76.73 -1.03 25.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 70.11 110.937 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.7 -20.55 9.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 74.12 110.854 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.532 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 14.9 m -111.43 -14.27 13.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 72.01 110.863 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 52.09 38.84 25.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 71.22 110.944 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -141.9 179.47 6.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 64.33 111.039 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -62.96 134.61 56.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.135 -0.484 . . . . 74.53 110.87 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -113.51 108.06 16.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 74.24 111.12 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 42.3 mtmt -63.9 -68.73 0.33 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 72.22 110.956 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.3 m -115.8 70.97 3.69 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.662 0.744 . . . . 71.52 110.868 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.548 ' CG ' HD12 ' A' ' 55' ' ' LEU . 53.8 Cg_endo -69.74 152.59 69.43 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.722 2.281 . . . . 74.22 112.355 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.534 ' HB2' HD21 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -125.6 156.07 39.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 73.44 110.901 179.872 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.554 HD11 ' HD3' ' A' ' 102' ' ' PRO . 66.5 mt -101.98 91.46 4.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 43.35 110.895 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.442 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 19.9 mt -48.75 162.55 0.36 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.68 0.753 . . . . 71.05 110.904 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.442 ' HD2' ' HB3' ' A' ' 70' ' ' LEU . 54.1 Cg_endo -69.69 -7.0 19.92 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.692 2.261 . . . . 73.5 112.357 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 84.1 m -101.52 13.04 36.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 71.12 110.947 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.775 HD12 ' CD2' ' A' ' 97' ' ' LEU . 7.3 mt 69.79 33.72 2.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.494 . . . . 73.21 110.881 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -100.83 164.88 11.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 75.22 110.894 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 89.1 m -125.36 104.5 8.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 74.21 111.205 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.733 HD23 ' HB3' ' A' ' 80' ' ' CYS . 3.5 mp -115.34 172.52 7.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 51.52 110.895 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 26.8 p -100.43 167.94 10.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 71.55 110.89 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 97.3 p -54.55 -57.21 12.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 53.44 110.874 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -51.57 -31.99 30.62 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.675 -0.774 . . . . 43.32 112.456 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.733 ' HB3' HD23 ' A' ' 76' ' ' LEU . 1.2 m -70.92 -33.37 70.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.849 0.356 . . . . 74.13 110.88 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.534 HD21 ' HB2' ' A' ' 68' ' ' LYS . 3.3 mm? -67.52 -43.63 80.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 74.23 110.891 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -79.25 -51.7 9.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 72.53 110.818 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.15 -55.42 21.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 72.44 111.075 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 87' ' ' GLN . 0.9 OUTLIER -84.31 14.74 4.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 72.32 110.823 -179.713 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 38.33 49.14 2.25 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.688 -0.768 . . . . 74.04 112.542 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.459 ' HA ' HD13 ' A' ' 81' ' ' LEU . 1.2 mtm 60.44 36.33 20.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.707 0.289 . . . . 53.03 110.872 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -60.08 -168.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.248 -0.433 . . . . 74.24 110.975 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -137.95 70.41 49.82 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.623 0.725 . . . . 52.14 110.885 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.711 ' HG2' HD11 ' A' ' 76' ' ' LEU . 53.7 Cg_endo -69.79 -42.34 3.46 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.606 2.204 . . . . 62.02 112.357 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.6 mm -64.06 -15.9 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 63.44 111.164 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . 0.775 ' SG ' 'ZN ' ' A' ' 202' ' ' ' ZN' . 0.0 OUTLIER -69.96 -9.57 55.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 73.44 110.874 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -76.95 -39.37 50.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 75.44 110.961 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -110.61 131.38 22.11 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 121.567 0.699 . . . . 72.13 111.143 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.89 61.04 1.79 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.702 2.268 . . . . 65.42 112.254 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -54.76 158.08 4.79 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.577 0.703 . . . . 72.32 110.96 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.84 118.15 5.51 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.663 2.242 . . . . 74.21 112.297 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.775 ' CD2' HD12 ' A' ' 73' ' ' LEU . 0.9 OUTLIER -81.07 169.37 17.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 75.41 110.895 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 105.34 -18.89 41.07 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.708 -0.758 . . . . 45.1 112.493 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -126.73 100.56 6.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 52.12 111.122 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -161.88 103.71 1.17 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.441 . . . . 73.42 110.844 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.498 HG22 ' HD2' ' A' ' 102' ' ' PRO . 0.0 OUTLIER -141.62 159.26 60.84 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.611 0.72 . . . . 71.21 111.087 -179.89 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.61 ' C ' HD11 ' A' ' 55' ' ' LEU . 52.4 Cg_endo -69.81 -176.12 1.39 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.682 2.255 . . . . 62.43 112.265 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.426 ' HB2' ' HG ' ' A' ' 55' ' ' LEU . . . -93.55 152.13 19.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.162 -0.472 . . . . 73.33 111.096 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 74.14 110.94 179.976 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . 0.775 'ZN ' ' SG ' ' A' ' 91' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.865 0.364 . . . . 74.54 110.926 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -142.85 162.92 34.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 73.31 110.905 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -128.57 142.05 51.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 71.44 110.869 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -66.73 138.52 57.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 64.25 110.815 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -107.19 66.94 0.68 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.09 -0.505 . . . . 62.23 110.905 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -141.86 153.43 44.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.458 . . . . 75.03 110.907 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.556 ' HG ' ' HB2' ' A' ' 103' ' ' ALA . 5.6 mt -114.58 -169.41 1.53 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.186 -0.461 . . . . 74.24 110.931 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.1 tmm_? -147.17 118.08 7.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 71.11 110.914 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.522 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 10.2 t -50.94 120.35 4.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 65.02 110.933 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.487 ' C ' HD11 ' A' ' 90' ' ' ILE . 19.2 mm100 -76.86 -0.58 24.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 70.11 110.838 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.44 -20.53 10.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.311 -0.404 . . . . 74.12 110.91 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.522 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 14.4 m -110.66 -21.75 11.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 72.01 110.952 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 60.14 37.22 20.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 71.22 110.887 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -142.45 177.6 8.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 64.33 111.12 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -65.57 130.45 43.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 74.53 110.849 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -106.06 110.76 23.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 74.24 111.083 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 39.4 mtmt -60.38 -62.55 1.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 72.22 110.898 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.416 ' HB3' ' HB2' ' A' ' 78' ' ' SER . 0.9 OUTLIER -126.62 74.75 74.86 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.717 0.77 . . . . 71.52 110.856 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.42 ' CG ' HD12 ' A' ' 55' ' ' LEU . 54.0 Cg_endo -69.81 155.46 65.71 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.707 2.271 . . . . 74.22 112.34 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.3 mtmt -134.32 156.14 48.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 73.44 110.917 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 55.1 mt -92.8 104.6 16.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 43.35 110.939 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.432 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 19.3 mt -48.19 161.9 0.36 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.652 0.739 . . . . 71.05 110.902 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.432 ' HD2' ' HB3' ' A' ' 70' ' ' LEU . 53.8 Cg_endo -69.67 -7.15 20.29 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.744 2.296 . . . . 73.5 112.359 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 1.3 m -96.32 -79.7 0.44 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.431 . . . . 71.12 110.891 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.834 ' CB ' HD22 ' A' ' 97' ' ' LEU . 1.6 pp 175.38 41.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 73.21 110.906 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.408 ' CG ' ' HB ' ' A' ' 90' ' ' ILE . 2.6 m-70 -128.24 164.69 22.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.274 -0.421 . . . . 75.22 110.901 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 60.7 m -115.5 123.69 49.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.242 -0.435 . . . . 74.21 111.125 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.789 HD23 ' HB3' ' A' ' 80' ' ' CYS . 3.9 mp -124.93 171.44 10.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.308 -0.406 . . . . 51.52 110.97 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.842 ' HG ' 'ZN ' ' A' ' 201' ' ' ' ZN' . 29.9 p -95.83 159.41 14.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 71.55 110.842 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.416 ' HB2' ' HB3' ' A' ' 66' ' ' CYS . 0.0 OUTLIER -49.03 -53.42 20.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 53.44 110.825 -179.827 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -55.18 -29.35 52.2 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.728 -0.748 . . . . 43.32 112.465 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.789 ' HB3' HD23 ' A' ' 76' ' ' LEU . 1.0 OUTLIER -73.67 -37.25 65.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.856 0.36 . . . . 74.13 110.835 -179.871 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.544 HD13 ' HA ' ' A' ' 86' ' ' MET . 2.2 mm? -63.94 -41.84 97.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 74.23 110.987 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -79.33 -52.38 8.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 72.53 110.892 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.16 -54.6 38.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 72.44 111.102 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.474 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.1 OUTLIER -82.12 12.37 4.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 72.32 110.926 -179.836 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 39.52 46.74 2.84 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.724 -0.751 . . . . 74.04 112.508 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.544 ' HA ' HD13 ' A' ' 81' ' ' LEU . 10.2 mtp 66.07 36.86 5.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.749 0.309 . . . . 53.03 110.886 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.474 ' HB2' ' O ' ' A' ' 84' ' ' SER . 0.1 OUTLIER -62.07 -164.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 74.24 110.9 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -147.12 71.14 12.12 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.631 0.729 . . . . 52.14 110.9 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.432 ' HG2' HD11 ' A' ' 76' ' ' LEU . 53.3 Cg_endo -69.79 -45.48 1.56 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.708 2.272 . . . . 62.02 112.282 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.487 HD11 ' C ' ' A' ' 58' ' ' GLN . 20.4 mm -67.87 -15.07 19.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.279 -0.419 . . . . 63.44 111.171 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -50.41 -28.5 8.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 73.44 110.911 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -58.9 -33.07 70.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 75.44 110.833 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.408 ' HA ' ' HD2' ' A' ' 94' ' ' PRO . . . -113.05 91.18 17.63 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.598 0.713 . . . . 72.13 111.065 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 93' ' ' ALA . 54.3 Cg_endo -69.72 113.18 3.28 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.684 2.256 . . . . 65.42 112.377 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.527 ' O ' HD13 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -129.98 160.81 63.36 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.52 0.676 . . . . 72.32 110.917 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.431 ' HD2' ' HB2' ' A' ' 95' ' ' TRP . 53.0 Cg_endo -69.77 139.16 39.53 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.638 2.225 . . . . 74.21 112.337 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.834 HD22 ' CB ' ' A' ' 73' ' ' LEU . 0.8 OUTLIER -110.32 158.64 18.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 75.41 110.936 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -130.7 -139.84 4.55 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.722 -0.751 . . . . 45.1 112.467 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -103.31 12.23 35.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.807 0.337 . . . . 52.12 111.154 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -61.26 94.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 73.42 110.892 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -70.58 161.16 78.66 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.584 0.707 . . . . 71.21 111.099 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.488 ' HA ' HD11 ' A' ' 55' ' ' LEU . 54.3 Cg_endo -69.82 -171.37 0.47 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.652 2.234 . . . . 62.43 112.338 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.556 ' HB2' ' HG ' ' A' ' 55' ' ' LEU . . . -98.55 152.13 19.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 73.33 111.085 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.456 ' H ' HD12 ' A' ' 104' ' ' LEU . 6.3 mp . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 74.14 110.929 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . 0.842 'ZN ' ' HG ' ' A' ' 77' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.843 0.354 . . . . 74.54 110.891 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -101.13 144.91 29.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 73.31 110.895 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -132.78 -178.4 4.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 71.44 110.883 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 14.3 p90 -126.56 172.37 10.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 64.25 110.844 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.539 ' CG ' HD13 ' A' ' 104' ' ' LEU . 4.2 tp-100 -104.31 68.24 0.87 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 62.23 110.897 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -149.85 151.97 34.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 75.03 110.882 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.541 HD11 ' C ' ' A' ' 102' ' ' PRO . 8.1 mt -106.89 -169.56 1.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 74.24 110.896 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.0 tmm_? -148.03 117.07 6.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 71.11 110.898 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.499 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 10.9 t -49.35 118.41 2.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 65.02 110.929 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.3 mm100 -76.06 1.04 16.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 70.11 110.903 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.514 ' HB3' HD11 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -116.39 -20.91 9.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 74.12 110.9 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.499 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 8.1 m -109.77 -24.89 10.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 72.01 110.844 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 63.88 38.6 8.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 71.22 110.935 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -145.56 179.69 7.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 64.33 111.114 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -66.21 131.19 45.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 74.53 110.833 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -111.34 113.94 26.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.08 -0.509 . . . . 74.24 111.147 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -68.84 0.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 72.22 110.809 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.8 t -114.08 71.87 2.14 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.644 0.735 . . . . 71.52 110.821 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.488 ' CG ' HD12 ' A' ' 55' ' ' LEU . 53.4 Cg_endo -69.84 146.02 58.45 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.648 2.232 . . . . 74.22 112.342 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.648 ' HB2' HD21 ' A' ' 81' ' ' LEU . 0.5 OUTLIER -123.01 157.12 33.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 73.44 110.889 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.677 HD23 ' O ' ' A' ' 74' ' ' HIS . 7.5 mt -103.01 97.9 7.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 43.35 110.908 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.475 HD12 ' HD2' ' A' ' 71' ' ' PRO . 4.4 mm? -48.83 163.98 0.31 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.621 0.724 . . . . 71.05 110.922 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.475 ' HD2' HD12 ' A' ' 70' ' ' LEU . 53.9 Cg_endo -69.69 -4.56 14.23 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.752 2.302 . . . . 73.5 112.318 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 81.7 m -104.73 10.58 34.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 71.12 110.892 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.891 HD12 HD12 ' A' ' 97' ' ' LEU . 6.4 mt 71.89 37.25 1.06 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.193 -0.458 . . . . 73.21 110.924 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.677 ' O ' HD23 ' A' ' 69' ' ' LEU . 3.1 m-70 -104.44 165.36 11.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 75.22 110.845 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.7 m -118.35 118.26 31.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 74.21 111.175 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.705 HD11 ' HG2' ' A' ' 89' ' ' PRO . 2.6 mp -130.4 172.32 12.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 51.52 110.923 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.513 ' O ' HD23 ' A' ' 81' ' ' LEU . 26.6 p -101.85 176.49 5.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 71.55 110.882 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 96.6 p -63.75 -55.95 19.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 53.44 110.852 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -51.8 -29.65 26.85 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.792 -0.718 . . . . 43.32 112.518 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.702 ' HB3' HD23 ' A' ' 76' ' ' LEU . 1.3 m -74.08 -32.61 63.34 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.883 0.373 . . . . 74.13 110.909 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.648 HD21 ' HB2' ' A' ' 68' ' ' LYS . 3.5 mm? -68.33 -43.52 77.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 74.23 110.921 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -77.47 -47.89 18.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 72.53 110.876 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.82 -52.96 46.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 72.44 111.115 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.582 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.8 OUTLIER -86.2 14.62 6.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 72.32 110.882 -179.817 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 84' ' ' SER . . . 37.84 48.97 1.95 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.79 -0.719 . . . . 74.04 112.475 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.628 ' HA ' HD13 ' A' ' 81' ' ' LEU . 10.1 mtm 65.59 37.51 5.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.814 0.34 . . . . 53.03 110.923 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.582 ' HB2' ' O ' ' A' ' 84' ' ' SER . 0.1 OUTLIER -67.92 -164.39 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 74.24 110.882 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -144.1 74.23 16.06 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.594 0.711 . . . . 52.14 110.933 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.705 ' HG2' HD11 ' A' ' 76' ' ' LEU . 54.2 Cg_endo -69.73 -39.89 6.02 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.649 2.233 . . . . 62.02 112.347 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.514 HD11 ' HB3' ' A' ' 59' ' ' GLN . 22.2 mm -63.29 -15.32 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 63.44 111.145 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . 0.884 ' SG ' 'ZN ' ' A' ' 202' ' ' ' ZN' . 0.0 OUTLIER -72.24 -6.16 41.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 73.44 110.913 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -57.8 -35.7 71.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 75.44 110.868 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -139.03 149.87 62.98 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.643 0.735 . . . . 72.13 111.075 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 61.19 1.72 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.706 2.27 . . . . 65.42 112.341 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.572 ' O ' HD23 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -68.45 160.35 76.56 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.574 0.702 . . . . 72.32 110.845 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.401 ' HD2' ' HB2' ' A' ' 95' ' ' TRP . 53.9 Cg_endo -69.76 121.81 8.49 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.678 2.252 . . . . 74.21 112.356 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.891 HD12 HD12 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -108.05 -176.78 3.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 75.41 110.932 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -179.76 -150.57 9.22 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.77 -0.729 . . . . 45.1 112.533 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -104.73 18.36 22.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.821 0.343 . . . . 52.12 111.121 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.666 ' O ' HD11 ' A' ' 69' ' ' LEU . 1.1 p30 -51.64 103.32 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 73.42 110.869 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.98 159.65 81.88 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.583 0.706 . . . . 71.21 111.106 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.672 ' HD3' HD12 ' A' ' 69' ' ' LEU . 54.8 Cg_endo -69.76 -175.02 1.02 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.641 2.228 . . . . 62.43 112.367 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.463 ' N ' HD11 ' A' ' 55' ' ' LEU . . . -96.82 151.94 19.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 73.33 111.099 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.539 HD13 ' CG ' ' A' ' 53' ' ' GLN . 9.4 mp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 74.14 110.894 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . 0.884 'ZN ' ' SG ' ' A' ' 91' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 . . . . . 0 CA--C 1.527 0.062 0 CA-C-O 120.816 0.341 . . . . 74.54 110.867 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -123.39 110.1 14.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.157 -0.474 . . . . 73.31 110.885 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -77.92 -33.02 51.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 71.44 110.862 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -166.29 111.06 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 64.25 110.885 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -107.19 66.44 0.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 62.23 110.902 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -128.76 123.92 34.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 75.03 110.831 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.775 HD12 ' HG3' ' A' ' 67' ' ' PRO . 5.1 mt -85.21 -172.42 4.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.066 -0.515 . . . . 74.24 110.937 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -153.24 116.6 4.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 71.11 110.815 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.529 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 9.3 t -49.7 119.78 3.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 65.02 110.85 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -76.83 1.63 16.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.171 -0.468 . . . . 70.11 110.857 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.17 -20.39 8.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 74.12 110.87 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.529 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 7.4 m -110.18 -24.27 10.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 72.01 110.84 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 63.4 37.68 10.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.173 -0.467 . . . . 71.22 110.842 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -143.49 178.73 7.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 64.33 111.098 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -64.42 132.04 48.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 74.53 110.829 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -107.26 108.51 19.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.122 -0.49 . . . . 74.24 111.136 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.8 mtmm -64.77 -65.62 0.65 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 72.22 110.884 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.4 m -118.08 70.51 7.94 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.567 0.699 . . . . 71.52 110.853 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.775 ' HG3' HD12 ' A' ' 55' ' ' LEU . 54.6 Cg_endo -69.68 159.49 53.26 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.651 2.234 . . . . 74.22 112.432 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.6 ' HB2' HD21 ' A' ' 81' ' ' LEU . 11.2 mtpt -133.4 154.22 50.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 73.44 110.925 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.788 HD11 ' HD3' ' A' ' 102' ' ' PRO . 29.0 mt -99.08 91.42 5.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 43.35 110.95 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.413 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 20.1 mt -48.72 161.82 0.39 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.589 0.709 . . . . 71.05 110.91 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.413 ' HD2' ' HB3' ' A' ' 70' ' ' LEU . 52.7 Cg_endo -69.87 -6.57 18.97 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.669 2.246 . . . . 73.5 112.285 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 89.8 m -102.17 12.74 36.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 71.12 110.872 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.802 HD12 ' HB3' ' A' ' 97' ' ' LEU . 8.2 mt 70.17 34.48 2.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 73.21 110.915 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -102.98 164.73 11.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 75.22 110.853 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.5 m -123.9 105.58 9.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 74.21 111.153 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.732 HD23 ' HB3' ' A' ' 80' ' ' CYS . 2.9 mp -117.31 171.76 7.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 51.52 110.927 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 30.5 p -99.53 160.76 14.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 71.55 110.849 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.32 -54.87 18.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 53.44 110.852 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.13 -29.35 36.11 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.742 -0.742 . . . . 43.32 112.47 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.732 ' HB3' HD23 ' A' ' 76' ' ' LEU . 1.1 m -74.8 -33.32 62.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.846 0.355 . . . . 74.13 110.865 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.6 HD21 ' HB2' ' A' ' 68' ' ' LYS . 3.0 mm? -66.63 -43.31 85.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 74.23 110.865 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -78.49 -47.26 17.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 72.53 110.853 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.05 -53.65 35.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 72.44 111.048 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.512 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.1 OUTLIER -84.19 13.03 5.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 72.32 110.84 -179.762 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 39.74 46.73 3.03 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.762 -0.733 . . . . 74.04 112.432 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.583 ' HG2' HD12 ' A' ' 81' ' ' LEU . 15.4 mtm 66.78 36.82 4.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.745 0.307 . . . . 53.03 110.877 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.512 ' HB2' ' O ' ' A' ' 84' ' ' SER . 0.4 OUTLIER -64.27 -166.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 74.24 110.886 -179.922 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.49 70.88 21.22 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.65 0.738 . . . . 52.14 110.833 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.713 ' HG2' HD11 ' A' ' 76' ' ' LEU . 53.7 Cg_endo -69.8 -43.09 2.83 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.698 2.265 . . . . 62.02 112.358 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 23.6 mm -61.83 -26.81 40.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 63.44 111.14 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . 0.847 ' SG ' 'ZN ' ' A' ' 202' ' ' ' ZN' . 0.0 OUTLIER -53.35 -22.78 7.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 73.44 110.916 179.888 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -97.88 -25.01 15.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 75.44 110.938 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.491 ' HB1' ' HD2' ' A' ' 94' ' ' PRO . . . -71.42 157.68 89.5 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.594 0.711 . . . . 72.13 111.088 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.491 ' HD2' ' HB1' ' A' ' 93' ' ' ALA . 53.4 Cg_endo -69.68 -6.91 19.7 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.673 2.248 . . . . 65.42 112.409 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.442 ' CZ2' ' HB3' ' A' ' 99' ' ' ALA . 61.1 t-105 -53.26 109.77 1.66 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.549 0.69 . . . . 72.32 110.861 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 137.68 36.05 Favored 'Trans proline' 0 C--O 1.233 0.27 0 C-N-CA 122.669 2.246 . . . . 74.21 112.339 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.802 ' HB3' HD12 ' A' ' 73' ' ' LEU . 5.6 mp -61.56 169.37 2.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 75.41 110.933 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 108.49 -34.75 5.39 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.767 -0.73 . . . . 45.1 112.498 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.442 ' HB3' ' CZ2' ' A' ' 95' ' ' TRP . . . -104.32 107.47 18.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.732 0.301 . . . . 52.12 111.196 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -169.91 100.72 0.3 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 73.42 110.872 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.507 HG22 ' HD2' ' A' ' 102' ' ' PRO . 0.0 OUTLIER -135.36 157.02 77.47 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.612 0.72 . . . . 71.21 111.152 -179.87 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.788 ' HD3' HD11 ' A' ' 69' ' ' LEU . 53.7 Cg_endo -69.72 -178.06 2.15 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.676 2.25 . . . . 62.43 112.35 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.687 ' N ' HD11 ' A' ' 55' ' ' LEU . . . -94.61 107.14 19.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 73.33 111.15 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.577 HD22 ' C ' ' A' ' 104' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.259 -0.428 . . . . 74.14 110.978 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . 0.847 'ZN ' ' SG ' ' A' ' 91' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.808 0.337 . . . . 74.54 110.945 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -125.64 -179.21 4.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 73.31 110.862 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -63.95 -32.86 74.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 71.44 110.892 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -172.82 149.52 1.98 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 64.25 110.859 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.444 ' HG2' HD23 ' A' ' 104' ' ' LEU . 37.2 tt0 -97.5 110.02 22.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 62.23 110.948 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -142.37 171.04 14.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 75.03 110.839 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.579 HD11 ' C ' ' A' ' 102' ' ' PRO . 41.9 mt -100.36 162.25 13.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.078 -0.51 . . . . 74.24 110.942 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -140.09 115.8 10.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 71.11 110.876 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.516 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 9.8 t -49.64 119.68 3.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 65.02 110.88 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -76.29 -0.75 23.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 70.11 110.945 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.479 ' HB3' HD11 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -114.57 -21.95 10.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 74.12 110.888 -179.905 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.516 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 11.0 m -108.35 -24.75 11.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 72.01 110.884 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 63.34 37.03 11.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 71.22 110.928 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -142.23 177.61 8.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 64.33 111.125 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -63.86 131.57 48.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 74.53 110.931 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -107.45 110.18 22.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 74.24 111.111 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 15.8 mtmm -63.05 -64.97 0.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 72.22 110.892 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.6 t -121.17 72.27 24.69 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.547 0.689 . . . . 71.52 110.912 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.529 ' HG2' HD12 ' A' ' 55' ' ' LEU . 53.7 Cg_endo -69.83 152.76 69.06 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.594 2.196 . . . . 74.22 112.36 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.411 ' HB2' HD21 ' A' ' 81' ' ' LEU . 22.2 mmtp -134.22 156.35 48.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 73.44 110.921 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 49.6 mt -89.95 109.57 20.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 43.35 110.932 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.471 HD11 HD22 ' A' ' 76' ' ' LEU . 1.5 mp -50.47 163.96 0.43 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.589 0.709 . . . . 71.05 110.883 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 -9.35 25.87 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.715 2.277 . . . . 73.5 112.276 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 1.4 m -97.33 -82.12 0.42 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 71.12 110.907 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.756 HD13 HD21 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -178.87 34.25 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 73.21 110.937 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.431 ' CG ' ' HB ' ' A' ' 90' ' ' ILE . 1.6 m-70 -120.53 164.87 15.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 75.22 110.867 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.448 ' O ' HD12 ' A' ' 76' ' ' LEU . 27.1 m -114.78 131.24 56.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 74.21 111.119 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.758 HD23 ' HB3' ' A' ' 80' ' ' CYS . 4.0 mp -129.8 172.54 11.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 51.52 110.954 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 27.9 p -97.8 170.74 8.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 71.55 110.914 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 92.9 p -57.28 -56.56 20.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 53.44 110.898 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -52.54 -29.37 31.61 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.725 -0.75 . . . . 43.32 112.471 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.758 ' HB3' HD23 ' A' ' 76' ' ' LEU . 1.2 m -74.34 -34.58 63.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.889 0.376 . . . . 74.13 110.882 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.603 HD13 ' HA ' ' A' ' 86' ' ' MET . 3.2 mm? -67.42 -42.34 83.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 74.23 110.937 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -78.34 -51.41 10.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 72.53 110.844 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.29 -53.47 52.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 72.44 111.132 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.548 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.8 OUTLIER -85.64 13.08 7.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 72.32 110.784 -179.74 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 37.72 50.24 1.93 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.698 -0.763 . . . . 74.04 112.55 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.603 ' HA ' HD13 ' A' ' 81' ' ' LEU . 0.1 OUTLIER 63.35 37.65 10.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.712 0.291 . . . . 53.03 110.808 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.548 ' HB2' ' O ' ' A' ' 84' ' ' SER . 1.0 OUTLIER -64.88 -164.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.312 -0.404 . . . . 74.24 110.906 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -146.86 71.09 12.41 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.674 0.75 . . . . 52.14 110.905 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -44.44 2.13 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.702 2.268 . . . . 62.02 112.337 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.479 HD11 ' HB3' ' A' ' 59' ' ' GLN . 25.9 mm -59.05 -20.9 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 63.44 111.087 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.43 -19.62 24.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 73.44 110.896 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 24.0 mm100 -81.41 -38.05 27.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 75.44 110.884 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.434 ' HA ' ' HD2' ' A' ' 94' ' ' PRO . . . -101.11 107.12 48.67 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.645 0.736 . . . . 72.13 111.072 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' A' ' 93' ' ' ALA . 54.1 Cg_endo -69.69 66.34 1.73 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.691 2.261 . . . . 65.42 112.384 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.404 ' HB2' ' HD2' ' A' ' 96' ' ' PRO . 3.2 p-90 -68.93 156.05 92.18 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.511 0.672 . . . . 72.32 110.972 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.404 ' HD2' ' HB2' ' A' ' 95' ' ' TRP . 53.5 Cg_endo -69.72 116.42 4.55 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.702 2.268 . . . . 74.21 112.358 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.756 HD21 HD13 ' A' ' 73' ' ' LEU . 5.0 mp -80.04 -180.0 7.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 75.41 110.868 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 158.92 -85.8 0.12 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.71 -0.757 . . . . 45.1 112.479 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -103.63 100.16 9.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.87 0.366 . . . . 52.12 111.113 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -116.09 103.87 11.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 73.42 110.915 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.527 HG22 ' HD2' ' A' ' 102' ' ' PRO . 0.0 OUTLIER -142.79 157.49 61.45 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.596 0.712 . . . . 71.21 111.175 -179.907 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.579 ' C ' HD11 ' A' ' 55' ' ' LEU . 53.7 Cg_endo -69.68 -176.88 1.61 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.736 2.291 . . . . 62.43 112.308 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.465 ' HB2' ' HG ' ' A' ' 55' ' ' LEU . . . -98.61 152.18 19.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 73.33 111.167 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.444 HD23 ' HG2' ' A' ' 53' ' ' GLN . 4.4 mm? . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 74.14 110.904 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.796 0.331 . . . . 74.54 110.928 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -130.77 121.77 26.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 73.31 110.9 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -58.86 -176.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 71.44 110.868 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 29.1 p90 -52.35 159.44 0.98 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 64.25 110.825 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.93 66.27 1.04 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 62.23 110.901 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -146.57 138.99 25.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.186 -0.461 . . . . 75.03 110.85 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.1 mt -113.3 -170.46 1.69 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 74.24 110.869 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.1 tmm_? -139.46 119.04 13.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 71.11 110.941 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.525 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 9.9 t -52.79 120.77 6.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 65.02 110.866 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -76.51 0.66 19.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 70.11 110.877 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.27 -21.78 8.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 74.12 110.98 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.525 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 13.7 m -109.34 -19.46 13.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 72.01 110.907 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 57.5 38.79 28.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 71.22 110.88 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -144.89 178.87 7.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 64.33 111.056 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -64.54 131.44 47.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 74.53 110.849 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -111.21 113.59 26.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 74.24 111.11 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt -62.68 -70.85 0.18 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.302 -0.408 . . . . 72.22 110.857 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.3 m -115.15 71.08 2.82 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-O 121.627 0.727 . . . . 71.52 110.811 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.84 153.23 68.79 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.645 2.23 . . . . 74.22 112.325 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.522 ' HB2' HD21 ' A' ' 81' ' ' LEU . 8.1 mmpt? -134.27 155.86 49.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 73.44 110.875 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.9 mt -97.13 110.02 22.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 43.35 110.858 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.422 HD13 ' HA ' ' A' ' 70' ' ' LEU . 3.1 mm? -50.48 160.6 0.72 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.617 0.722 . . . . 71.05 110.937 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.412 ' HD2' ' HB3' ' A' ' 70' ' ' LEU . 52.8 Cg_endo -69.8 -5.46 16.29 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.656 2.237 . . . . 73.5 112.331 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 23.0 m -95.22 -79.25 0.43 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 71.12 110.892 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.409 ' HB3' ' HG ' ' A' ' 97' ' ' LEU . 2.9 pp 177.54 36.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 73.21 110.895 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -126.39 166.38 17.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 75.22 110.864 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.598 ' O ' HD12 ' A' ' 76' ' ' LEU . 41.7 m -121.0 137.02 54.85 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.211 -0.449 . . . . 74.21 111.187 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.778 HD23 ' HB3' ' A' ' 80' ' ' CYS . 4.3 mp -134.58 172.84 12.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 51.52 110.804 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 28.5 p -98.41 167.67 10.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 71.55 110.936 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 91.4 p -54.72 -55.95 24.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 53.44 110.869 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.05 -28.9 34.31 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.702 -0.761 . . . . 43.32 112.523 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.778 ' HB3' HD23 ' A' ' 76' ' ' LEU . 1.2 m -74.21 -33.37 63.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.86 0.362 . . . . 74.13 110.887 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.647 HD13 ' HA ' ' A' ' 86' ' ' MET . 2.0 mm? -67.75 -43.37 80.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 74.23 110.902 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -77.56 -49.74 14.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 72.53 110.904 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.8 -53.37 51.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 72.44 111.128 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.544 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.1 OUTLIER -85.35 13.27 6.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 72.32 110.843 -179.781 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 84' ' ' SER . . . 38.49 48.07 2.25 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.736 -0.745 . . . . 74.04 112.461 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.647 ' HA ' HD13 ' A' ' 81' ' ' LEU . 0.3 OUTLIER 65.98 37.13 5.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.748 0.308 . . . . 53.03 110.86 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.544 ' HB2' ' O ' ' A' ' 84' ' ' SER . 0.2 OUTLIER -65.77 -165.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 74.24 110.906 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -147.98 72.79 11.3 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.638 0.732 . . . . 52.14 110.909 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 -41.58 4.21 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.663 2.242 . . . . 62.02 112.393 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.8 mm -68.35 -15.04 19.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 63.44 111.076 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.98 -22.32 14.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.43 . . . . 73.44 110.875 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -66.52 -19.86 65.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 75.44 110.865 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.436 ' HA ' ' HD2' ' A' ' 94' ' ' PRO . . . -106.45 102.39 40.75 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.523 0.678 . . . . 72.13 111.09 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.436 ' HD2' ' HA ' ' A' ' 93' ' ' ALA . 54.2 Cg_endo -69.73 86.67 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.73 2.287 . . . . 65.42 112.377 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.426 ' HB2' ' HD2' ' A' ' 96' ' ' PRO . 2.3 p-90 -126.57 156.68 72.8 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.561 0.696 . . . . 72.32 110.959 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.426 ' HD2' ' HB2' ' A' ' 95' ' ' TRP . 53.3 Cg_endo -69.82 158.92 55.24 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.669 2.246 . . . . 74.21 112.285 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.409 ' HG ' ' HB3' ' A' ' 73' ' ' LEU . 2.9 mt -56.87 -179.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 75.41 110.919 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -137.57 -167.63 11.11 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.695 -0.764 . . . . 45.1 112.534 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -124.08 -11.34 7.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.805 0.336 . . . . 52.12 111.126 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -64.67 91.75 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 73.42 110.903 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.86 160.75 7.69 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.602 0.715 . . . . 71.21 111.124 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 162.87 40.42 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.637 2.225 . . . . 62.43 112.384 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -88.65 151.83 22.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.293 -0.412 . . . . 73.33 111.038 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 9.4 mp . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 74.14 110.833 -179.968 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.793 0.33 . . . . 74.54 110.965 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -116.61 147.94 41.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 73.31 110.936 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -124.24 -172.78 2.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.115 -0.493 . . . . 71.44 110.846 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -110.25 166.62 10.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.481 . . . . 64.25 110.881 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.571 ' HB3' HD23 ' A' ' 104' ' ' LEU . 18.9 mm-40 -96.36 66.06 2.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 62.23 110.968 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -158.9 156.23 29.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.439 . . . . 75.03 110.84 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.739 HD11 ' HA ' ' A' ' 102' ' ' PRO . 0.3 OUTLIER -104.92 -168.98 1.54 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 74.24 110.898 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -143.91 116.84 8.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 71.11 110.873 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.541 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 8.5 t -49.97 119.92 3.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.499 . . . . 65.02 110.926 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -76.2 1.59 15.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.107 -0.497 . . . . 70.11 110.926 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.435 ' HB3' HD11 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -118.21 -23.34 7.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 74.12 110.912 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.541 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 10.7 m -106.94 -21.43 13.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 72.01 110.915 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 59.65 37.07 22.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 71.22 110.88 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -142.69 179.73 6.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.281 -0.418 . . . . 64.33 111.088 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -67.9 126.53 29.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 74.53 110.894 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.48 113.15 26.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 74.24 111.118 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.5 mtmp? -63.55 -67.88 0.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 72.22 110.897 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.3 m -115.29 71.78 3.21 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.609 0.719 . . . . 71.52 110.899 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 148.78 65.89 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.586 2.191 . . . . 74.22 112.394 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.52 ' HB2' HD21 ' A' ' 81' ' ' LEU . 28.2 mmtp -128.99 156.96 42.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 73.44 110.869 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.2 mt -91.33 101.77 14.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 43.35 110.914 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.648 HD22 HD13 ' A' ' 76' ' ' LEU . 0.7 OUTLIER -49.36 164.68 0.31 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.631 0.729 . . . . 71.05 110.865 179.885 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 -7.88 22.16 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.732 2.288 . . . . 73.5 112.357 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.435 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 68.6 m -108.05 16.64 23.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 71.12 110.86 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.545 HD12 ' CD2' ' A' ' 97' ' ' LEU . 7.3 mt 71.42 22.0 4.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 73.21 110.95 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.435 ' CE1' ' HB3' ' A' ' 72' ' ' CYS . 3.8 m-70 -92.56 164.77 13.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 75.22 110.935 179.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.636 ' O ' HD12 ' A' ' 76' ' ' LEU . 4.3 m -113.14 127.88 56.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.272 -0.422 . . . . 74.21 111.105 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.693 HD23 ' HB3' ' A' ' 80' ' ' CYS . 2.6 mp -138.7 171.99 13.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 51.52 110.903 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 30.2 p -100.98 160.02 14.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 71.55 110.865 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.2 -54.3 21.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 53.44 110.855 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.15 -30.07 38.06 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.722 -0.751 . . . . 43.32 112.44 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.693 ' HB3' HD23 ' A' ' 76' ' ' LEU . 1.1 m -74.17 -32.61 63.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.895 0.379 . . . . 74.13 110.871 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.629 HD13 ' HA ' ' A' ' 86' ' ' MET . 3.0 mm? -67.8 -43.35 79.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 74.23 110.922 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -78.07 -44.93 24.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 72.53 110.898 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.36 -53.58 23.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 72.44 111.115 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.549 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.7 OUTLIER -83.88 14.5 3.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.23 -0.441 . . . . 72.32 110.826 -179.768 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 39.62 45.62 2.72 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.8 -0.714 . . . . 74.04 112.465 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.629 ' HA ' HD13 ' A' ' 81' ' ' LEU . 4.2 mtt 67.82 37.0 3.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.706 0.289 . . . . 53.03 110.916 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.549 ' HB2' ' O ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -67.42 -165.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 74.24 110.899 -179.852 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -148.62 70.65 10.54 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.635 0.731 . . . . 52.14 110.894 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -40.72 4.96 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.666 2.244 . . . . 62.02 112.323 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.435 HD11 ' HB3' ' A' ' 59' ' ' GLN . 31.4 mm -51.03 -27.23 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 63.44 111.165 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . 1.063 ' SG ' 'ZN ' ' A' ' 202' ' ' ' ZN' . 7.6 m -51.06 -25.04 4.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 73.44 110.891 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.79 -39.05 93.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 75.44 110.918 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -117.13 117.06 37.22 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.587 0.708 . . . . 72.13 111.042 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 65.41 1.79 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.738 2.292 . . . . 65.42 112.306 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.419 ' HB2' ' HD2' ' A' ' 96' ' ' PRO . 1.5 p-90 -63.88 157.14 69.87 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.55 0.69 . . . . 72.32 110.923 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.419 ' HD2' ' HB2' ' A' ' 95' ' ' TRP . 53.1 Cg_endo -69.78 116.11 4.41 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.682 2.254 . . . . 74.21 112.327 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.545 ' CD2' HD12 ' A' ' 73' ' ' LEU . 3.9 mp -64.29 161.88 15.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 75.41 110.911 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -163.88 176.98 39.85 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.754 -0.736 . . . . 45.1 112.475 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -98.55 19.57 14.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.807 0.337 . . . . 52.12 111.09 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -58.14 97.78 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 73.42 110.903 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.77 160.92 13.01 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.623 0.725 . . . . 71.21 111.106 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.739 ' HA ' HD11 ' A' ' 55' ' ' LEU . 54.1 Cg_endo -69.73 160.6 49.11 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.694 2.263 . . . . 62.43 112.402 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.72 151.74 37.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.285 -0.416 . . . . 73.33 111.076 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.571 HD23 ' HB3' ' A' ' 53' ' ' GLN . 4.3 mm? . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 74.14 110.983 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . 1.063 'ZN ' ' SG ' ' A' ' 91' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 . . . . . 0 CA--C 1.526 0.054 0 CA-C-O 120.784 0.326 . . . . 74.54 110.867 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -107.92 159.15 16.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 73.31 110.88 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -137.24 134.48 36.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.218 -0.446 . . . . 71.44 110.876 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -176.83 133.2 0.2 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 64.25 110.938 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.609 ' HG3' HD11 ' A' ' 104' ' ' LEU . 5.3 pm0 -105.03 67.65 0.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 62.23 110.923 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -125.15 153.26 43.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.427 . . . . 75.03 110.914 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.511 HD11 ' N ' ' A' ' 103' ' ' ALA . 6.5 mt -112.9 -167.89 1.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 74.24 110.98 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -149.66 116.23 5.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 71.11 110.844 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.522 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 9.1 t -49.15 123.56 7.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 65.02 110.854 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -78.47 -2.74 39.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 70.11 110.928 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.2 -20.12 11.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 74.12 110.958 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.522 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 17.5 m -111.6 -16.11 13.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 72.01 110.803 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 54.2 27.32 7.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 71.22 110.92 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -130.32 172.63 11.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 64.33 111.167 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -59.43 137.3 58.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.28 -0.418 . . . . 74.53 110.898 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -110.07 108.46 18.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 74.24 111.125 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt -64.76 -55.31 20.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 72.22 110.851 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.7 m -130.88 71.04 82.6 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.633 0.73 . . . . 71.52 110.864 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.502 ' CG ' HD12 ' A' ' 55' ' ' LEU . 53.5 Cg_endo -69.81 161.54 45.55 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.711 2.274 . . . . 74.22 112.341 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.562 ' HB2' HD21 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -136.16 156.02 49.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.425 . . . . 73.44 110.899 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.566 HD13 ' O ' ' A' ' 69' ' ' LEU . 1.0 OUTLIER -96.19 93.48 6.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 43.35 110.95 179.895 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.416 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 20.0 mt -50.57 162.14 0.57 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.619 0.723 . . . . 71.05 110.914 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.416 ' HD2' ' HB3' ' A' ' 70' ' ' LEU . 53.4 Cg_endo -69.78 -7.04 20.05 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.672 2.248 . . . . 73.5 112.321 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 61.4 m -103.86 16.13 27.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.252 -0.431 . . . . 71.12 110.894 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.766 HD12 HD12 ' A' ' 97' ' ' LEU . 7.6 mt 68.81 25.73 6.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 73.21 110.979 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -95.13 164.4 12.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 75.22 110.831 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.9 m -123.49 106.77 10.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 74.21 111.165 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.732 HD23 ' HB3' ' A' ' 80' ' ' CYS . 3.4 mp -116.99 171.47 7.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 51.52 110.941 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 28.9 p -98.28 162.67 13.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 71.55 110.941 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.24 -57.63 7.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 53.44 110.9 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -50.71 -32.67 25.55 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.766 -0.731 . . . . 43.32 112.465 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.732 ' HB3' HD23 ' A' ' 76' ' ' LEU . 1.2 m -71.72 -33.07 68.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.927 0.394 . . . . 74.13 110.918 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.657 HD13 ' HA ' ' A' ' 86' ' ' MET . 2.4 mm? -68.09 -42.66 80.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 74.23 110.913 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -80.94 -52.14 7.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 72.53 110.938 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.18 -55.76 19.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.491 . . . . 72.44 111.098 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.493 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.2 OUTLIER -86.4 18.36 3.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 72.32 110.917 -179.783 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.46 ' O ' ' CG ' ' A' ' 86' ' ' MET . . . 33.86 62.7 0.43 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.738 -0.744 . . . . 74.04 112.472 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.657 ' HA ' HD13 ' A' ' 81' ' ' LEU . 5.4 ptp 46.19 39.39 6.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.772 0.32 . . . . 53.03 110.836 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.493 ' HB2' ' O ' ' A' ' 84' ' ' SER . 1.7 mp0 -60.58 -167.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.247 -0.433 . . . . 74.24 110.888 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -137.62 69.79 52.54 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.624 0.726 . . . . 52.14 110.858 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.677 ' HG2' HD11 ' A' ' 76' ' ' LEU . 53.8 Cg_endo -69.7 -40.82 4.96 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.772 2.315 . . . . 62.02 112.328 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 14.5 mm -66.35 -15.04 18.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 63.44 111.133 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . 0.788 ' HG ' 'ZN ' ' A' ' 202' ' ' ' ZN' . 0.1 OUTLIER -75.26 -4.58 39.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 73.44 110.94 179.893 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -58.29 -33.84 69.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.19 -0.459 . . . . 75.44 110.932 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.417 ' HB1' ' HD2' ' A' ' 94' ' ' PRO . . . -139.11 155.3 72.71 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.567 0.699 . . . . 72.13 111.139 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.417 ' HD2' ' HB1' ' A' ' 93' ' ' ALA . 53.7 Cg_endo -69.66 63.06 1.73 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.653 2.236 . . . . 65.42 112.36 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.508 ' O ' HD23 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -71.83 161.08 80.61 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.589 0.709 . . . . 72.32 110.896 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 120.8 7.52 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.631 2.221 . . . . 74.21 112.305 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.766 HD12 HD12 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -107.05 -175.75 2.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 75.41 110.889 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 90.84 73.64 1.27 Allowed Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.707 -0.759 . . . . 45.1 112.444 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -173.41 57.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.755 0.312 . . . . 52.12 111.139 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -66.11 92.15 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 73.42 110.889 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.454 ' O ' HD21 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -142.55 70.76 20.88 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.632 0.729 . . . . 71.21 111.149 -179.87 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 155.63 65.32 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.72 2.28 . . . . 62.43 112.342 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.511 ' N ' HD11 ' A' ' 55' ' ' LEU . . . -73.15 97.81 2.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 73.33 111.106 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.609 HD11 ' HG3' ' A' ' 53' ' ' GLN . 5.4 mp . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 74.14 110.929 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . 0.788 'ZN ' ' HG ' ' A' ' 91' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.838 0.351 . . . . 74.54 110.92 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -105.46 174.55 5.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 73.31 110.899 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.42 153.08 5.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.164 -0.471 . . . . 71.44 110.911 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -105.39 117.2 33.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 64.25 110.866 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.531 ' HB3' HD22 ' A' ' 104' ' ' LEU . 44.2 tp60 -81.5 103.72 11.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 62.23 110.9 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -134.5 171.39 14.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 75.03 110.911 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.8 HD13 ' HB3' ' A' ' 64' ' ' ALA . 0.3 OUTLIER -103.08 -177.97 3.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.488 . . . . 74.24 110.897 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.411 ' HD3' ' HA ' ' A' ' 61' ' ' GLN . 7.5 tmm_? -150.67 127.24 10.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.167 -0.469 . . . . 71.11 110.883 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.539 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 9.8 t -53.48 122.66 10.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 65.02 110.914 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -78.03 1.72 20.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 70.11 110.923 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.499 ' HB3' HD11 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -119.11 -22.51 7.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 74.12 110.894 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.539 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 7.0 m -106.87 -25.12 11.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 72.01 110.9 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.411 ' HA ' ' HD3' ' A' ' 56' ' ' ARG . 39.8 mt-30 64.58 31.65 12.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 71.22 110.919 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -137.18 178.2 7.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 64.33 111.085 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -61.86 133.49 55.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 74.53 110.903 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.8 ' HB3' HD13 ' A' ' 55' ' ' LEU . . . -108.04 115.48 30.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 74.24 111.105 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 31.3 mtmm -73.0 -73.9 0.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 72.22 110.914 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.3 t -115.28 70.93 2.97 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.612 0.72 . . . . 71.52 110.827 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.476 ' HG3' ' CD1' ' A' ' 55' ' ' LEU . 53.2 Cg_endo -69.8 165.22 31.76 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.677 2.251 . . . . 74.22 112.342 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.445 ' HB2' HD21 ' A' ' 81' ' ' LEU . 6.4 mttt -139.61 155.81 47.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 73.44 110.909 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.484 HD11 ' HD3' ' A' ' 102' ' ' PRO . 17.8 mt -99.31 91.09 4.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.237 -0.438 . . . . 43.35 110.924 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.402 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 13.8 mt -48.56 161.46 0.4 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.64 0.733 . . . . 71.05 110.885 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.402 ' HD2' ' HB3' ' A' ' 70' ' ' LEU . 53.1 Cg_endo -69.86 -4.92 15.06 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.659 2.239 . . . . 73.5 112.339 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.6 ' C ' HD12 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -102.44 17.41 23.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 71.12 110.838 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.745 HD13 HD21 ' A' ' 97' ' ' LEU . 2.3 mp 65.72 32.91 8.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 73.21 110.919 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -103.77 164.56 11.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 75.22 110.854 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 90.5 m -128.33 104.15 7.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 74.21 111.195 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.807 HD23 ' HB3' ' A' ' 80' ' ' CYS . 5.2 mp -116.48 171.57 7.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 51.52 110.904 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.796 ' HG ' 'ZN ' ' A' ' 201' ' ' ' ZN' . 31.5 p -94.21 166.86 11.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 71.55 110.815 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 82.3 p -52.44 -57.85 8.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 53.44 110.831 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -53.48 -27.09 32.72 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.801 -0.714 . . . . 43.32 112.452 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.807 ' HB3' HD23 ' A' ' 76' ' ' LEU . 0.9 OUTLIER -74.52 -39.17 62.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.927 0.394 . . . . 74.13 110.877 -179.861 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.458 HD13 ' HA ' ' A' ' 86' ' ' MET . 1.4 mm? -62.91 -41.69 99.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 74.23 110.89 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -78.81 -52.92 7.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 72.53 110.859 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.67 -54.59 37.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 72.44 111.108 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 87' ' ' GLN . 0.9 OUTLIER -81.69 11.45 4.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 72.32 110.849 -179.84 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 39.54 46.23 2.76 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.721 -0.752 . . . . 74.04 112.525 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.458 ' HA ' HD13 ' A' ' 81' ' ' LEU . 0.8 OUTLIER 64.45 34.46 10.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.697 0.284 . . . . 53.03 110.884 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -61.99 -166.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 74.24 110.859 -179.908 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -136.49 69.79 60.55 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.637 0.732 . . . . 52.14 110.847 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.767 ' HG2' HD11 ' A' ' 76' ' ' LEU . 54.6 Cg_endo -69.69 -41.94 3.92 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.702 2.268 . . . . 62.02 112.347 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.499 HD11 ' HB3' ' A' ' 59' ' ' GLN . 18.2 mm -62.45 -16.42 16.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 63.44 111.196 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . 0.822 ' HG ' 'ZN ' ' A' ' 202' ' ' ' ZN' . 0.0 OUTLIER -70.65 -8.93 55.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 73.44 110.846 179.924 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -62.63 -39.65 94.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 75.44 110.947 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -119.73 141.22 30.74 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.56 0.695 . . . . 72.13 111.132 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 62.15 1.72 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.672 2.248 . . . . 65.42 112.355 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.48 159.63 22.92 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.525 0.679 . . . . 72.32 110.981 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 118.21 5.55 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.647 2.231 . . . . 74.21 112.353 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.745 HD21 HD13 ' A' ' 73' ' ' LEU . 1.8 mt -71.85 161.5 30.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 75.41 110.931 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 96.72 149.25 25.32 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.694 -0.765 . . . . 45.1 112.507 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . 64.48 99.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.872 0.368 . . . . 52.12 111.098 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -160.29 111.69 1.93 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 73.42 110.856 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.547 HG22 ' HD2' ' A' ' 102' ' ' PRO . 0.0 OUTLIER -142.42 156.17 63.91 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.544 0.688 . . . . 71.21 111.154 -179.872 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.547 ' HD2' HG22 ' A' ' 101' ' ' THR . 53.9 Cg_endo -69.76 -169.63 0.34 Allowed 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.619 2.213 . . . . 62.43 112.384 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.443 ' HB2' ' CG ' ' A' ' 55' ' ' LEU . . . -87.23 152.4 22.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 73.33 111.112 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.531 HD22 ' HB3' ' A' ' 53' ' ' GLN . 10.9 mp . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 74.14 110.96 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . 0.796 'ZN ' ' HG ' ' A' ' 77' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . 0.822 'ZN ' ' HG ' ' A' ' 91' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.881 0.372 . . . . 74.54 110.879 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -91.22 141.51 28.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 73.31 110.873 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.0 mp0 -72.9 171.51 12.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 71.44 110.838 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 45.7 p90 -102.41 158.64 16.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 64.25 110.873 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 30.7 tp60 -52.48 115.25 1.68 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.485 . . . . 62.23 110.892 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -149.88 136.67 19.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.487 . . . . 75.03 110.871 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.716 ' HG ' ' HB2' ' A' ' 103' ' ' ALA . 46.0 mt -82.47 -178.98 7.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 74.24 110.936 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.1 tmm_? -144.0 116.57 8.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 71.11 110.911 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.535 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 9.2 t -49.48 123.82 8.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 65.02 110.875 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.462 ' C ' HD11 ' A' ' 90' ' ' ILE . 15.7 mm100 -78.44 -4.18 47.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 70.11 110.847 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.62 -19.81 11.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 74.12 110.845 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.535 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 20.8 m -111.7 -14.83 13.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 72.01 110.895 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 51.38 30.13 5.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 71.22 110.896 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -131.47 169.6 15.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 64.33 111.097 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -57.95 123.34 15.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 74.53 110.885 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -94.65 108.71 20.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 74.24 111.047 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.48 -60.36 3.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 72.22 110.886 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.8 m -129.04 70.38 81.57 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.612 0.72 . . . . 71.52 110.909 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.466 ' HG2' HD12 ' A' ' 55' ' ' LEU . 53.7 Cg_endo -69.78 153.49 68.77 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.622 2.215 . . . . 74.22 112.337 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.436 ' HB2' HD21 ' A' ' 81' ' ' LEU . 6.1 mmmt -133.29 155.95 48.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 73.44 110.867 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 71.5 mt -83.2 157.05 22.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 43.35 110.922 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.762 HD13 ' HB2' ' A' ' 74' ' ' HIS . 0.2 OUTLIER -110.71 162.7 19.56 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.632 0.729 . . . . 71.05 110.898 179.917 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.565 ' HD2' HD23 ' A' ' 70' ' ' LEU . 53.6 Cg_endo -69.75 -8.23 23.08 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.687 2.258 . . . . 73.5 112.33 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 64.1 m -102.2 -79.5 0.52 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 71.12 110.908 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.709 ' CD2' HD22 ' A' ' 97' ' ' LEU . 2.1 pp 175.85 40.66 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 73.21 110.881 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.762 ' HB2' HD13 ' A' ' 70' ' ' LEU . 2.6 m-70 -122.32 164.06 18.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.478 . . . . 75.22 110.87 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 97.0 m -128.64 112.26 14.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 74.21 111.128 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.703 HD23 ' HB3' ' A' ' 80' ' ' CYS . 4.8 mp -109.36 171.64 7.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 51.52 110.885 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 28.9 p -95.94 163.51 13.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 71.55 110.937 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.58 -57.71 5.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 53.44 110.844 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -52.71 -31.1 37.17 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.702 -0.761 . . . . 43.32 112.471 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.703 ' HB3' HD23 ' A' ' 76' ' ' LEU . 1.2 m -73.94 -33.42 63.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.773 0.321 . . . . 74.13 110.814 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.628 HD13 ' HA ' ' A' ' 86' ' ' MET . 1.5 mm? -67.35 -41.73 84.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 74.23 110.908 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -80.92 -51.6 8.38 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.211 -0.45 . . . . 72.53 110.883 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.29 -55.95 17.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 72.44 111.08 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 85' ' ' GLY . 0.9 OUTLIER -85.06 15.02 4.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 72.32 110.808 -179.747 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.447 ' O ' ' CG ' ' A' ' 86' ' ' MET . . . 35.19 64.19 0.49 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.701 -0.762 . . . . 74.04 112.505 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.628 ' HA ' HD13 ' A' ' 81' ' ' LEU . 14.7 ptp 45.79 38.39 4.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.702 0.287 . . . . 53.03 110.913 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.705 ' O ' HD21 ' A' ' 70' ' ' LEU . 1.0 OUTLIER -60.47 -169.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 74.24 110.888 -179.893 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -137.76 67.83 50.79 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.583 0.706 . . . . 52.14 110.842 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.526 ' HG2' HD11 ' A' ' 76' ' ' LEU . 53.5 Cg_endo -69.77 -43.78 2.45 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.656 2.238 . . . . 62.02 112.322 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.462 HD11 ' C ' ' A' ' 58' ' ' GLN . 16.9 mm -69.09 -15.79 20.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.43 . . . . 63.44 111.049 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -53.96 -22.16 9.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 73.44 110.909 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 37.7 mm-40 -63.95 -15.07 58.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.064 -0.516 . . . . 75.44 110.906 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.415 ' HA ' ' HD2' ' A' ' 94' ' ' PRO . . . -114.74 92.03 27.99 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.561 0.696 . . . . 72.13 111.155 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 93' ' ' ALA . 54.0 Cg_endo -69.79 89.83 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.695 2.264 . . . . 65.42 112.364 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.452 ' HB2' ' HD2' ' A' ' 96' ' ' PRO . 1.7 p-90 -129.85 156.8 78.42 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.489 0.661 . . . . 72.32 110.963 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.452 ' HD2' ' HB2' ' A' ' 95' ' ' TRP . 54.5 Cg_endo -69.71 167.39 24.52 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.629 2.219 . . . . 74.21 112.384 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.709 HD22 ' CD2' ' A' ' 73' ' ' LEU . 1.8 pt? -139.18 175.88 9.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 75.41 110.929 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -154.81 -79.72 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.779 -0.724 . . . . 45.1 112.507 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -98.8 107.46 19.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.853 0.358 . . . . 52.12 111.113 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -118.0 110.47 17.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 73.42 110.881 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.574 HG22 ' HD2' ' A' ' 102' ' ' PRO . 0.0 OUTLIER -142.42 153.94 63.09 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.531 0.682 . . . . 71.21 111.159 -179.914 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.574 ' HD2' HG22 ' A' ' 101' ' ' THR . 53.8 Cg_endo -69.75 -169.79 0.35 Allowed 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.677 2.251 . . . . 62.43 112.374 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.716 ' HB2' ' HG ' ' A' ' 55' ' ' LEU . . . -113.53 92.82 4.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 73.33 111.136 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 74.14 110.877 -179.982 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.815 0.34 . . . . 74.54 110.872 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -111.68 162.04 15.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 73.31 110.876 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -59.81 -48.96 79.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 71.44 110.859 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -170.55 127.01 0.77 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 64.25 110.911 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -65.74 105.71 1.32 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 62.23 110.874 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -151.57 153.6 34.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 75.03 110.879 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.562 HD11 ' C ' ' A' ' 102' ' ' PRO . 8.1 mt -102.92 -168.83 1.57 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 74.24 110.871 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -146.39 116.07 7.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 71.11 110.847 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.521 ' HB3' ' HB2' ' A' ' 60' ' ' CYS . 9.6 t -48.96 120.55 3.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 65.02 110.89 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -76.98 0.74 20.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 70.11 110.889 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.5 -20.72 8.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.425 . . . . 74.12 110.913 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.521 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 11.5 m -110.41 -19.61 12.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 72.01 110.927 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 57.65 37.64 27.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.096 -0.502 . . . . 71.22 110.942 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -142.45 -179.99 6.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 64.33 111.059 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -66.62 130.15 42.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.271 -0.422 . . . . 74.53 110.913 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -107.67 111.3 23.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 74.24 111.113 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt -62.81 -67.77 0.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 72.22 110.832 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.3 m -118.03 71.74 8.52 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.637 0.732 . . . . 71.52 110.932 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.462 ' CG ' HD12 ' A' ' 55' ' ' LEU . 53.6 Cg_endo -69.8 149.15 66.24 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.728 2.286 . . . . 74.22 112.342 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.513 ' HB2' HD21 ' A' ' 81' ' ' LEU . 25.4 mmtm -123.97 156.59 36.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 73.44 110.822 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.664 HD12 ' HD3' ' A' ' 102' ' ' PRO . 1.6 mt -98.87 93.02 5.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 43.35 110.94 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.454 ' HB3' ' HD2' ' A' ' 71' ' ' PRO . 19.4 mt -47.58 163.45 0.27 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.643 0.735 . . . . 71.05 110.904 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.454 ' HD2' ' HB3' ' A' ' 70' ' ' LEU . 54.1 Cg_endo -69.75 -5.65 16.7 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.74 2.293 . . . . 73.5 112.337 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.418 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 76.6 m -104.63 14.82 29.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 71.12 110.944 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.795 HD12 ' CD2' ' A' ' 97' ' ' LEU . 7.4 mt 68.22 32.87 4.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 73.21 110.892 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.651 ' O ' HD23 ' A' ' 69' ' ' LEU . 4.5 m-70 -99.72 165.49 11.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 75.22 110.861 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 51.1 m -122.57 104.82 9.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 74.21 111.177 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.762 HD23 ' HB3' ' A' ' 80' ' ' CYS . 3.7 mp -117.8 171.74 7.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 51.52 110.853 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 28.9 p -98.92 164.61 12.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 71.55 110.899 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 78.5 p -52.3 -56.85 12.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 53.44 110.862 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -52.09 -30.28 30.56 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.73 -0.748 . . . . 43.32 112.55 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.762 ' HB3' HD23 ' A' ' 76' ' ' LEU . 1.1 m -72.6 -33.54 66.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.87 0.366 . . . . 74.13 110.872 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.613 HD13 ' HA ' ' A' ' 86' ' ' MET . 3.5 mm? -68.39 -42.76 78.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.1 -0.5 . . . . 74.23 110.894 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -78.67 -49.44 13.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 72.53 110.853 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.32 -54.33 30.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 72.44 111.138 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.536 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.8 OUTLIER -83.81 14.99 3.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 72.32 110.869 -179.861 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 37.97 47.64 1.9 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.731 -0.747 . . . . 74.04 112.523 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.613 ' HA ' HD13 ' A' ' 81' ' ' LEU . 17.5 mtt 65.34 35.35 7.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.742 0.306 . . . . 53.03 110.917 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.536 ' HB2' ' O ' ' A' ' 84' ' ' SER . 0.5 OUTLIER -61.12 -166.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 74.24 110.928 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -141.93 71.31 23.94 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.658 0.742 . . . . 52.14 110.865 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.723 ' HG2' HD11 ' A' ' 76' ' ' LEU . 53.6 Cg_endo -69.81 -42.53 3.27 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.685 2.256 . . . . 62.02 112.347 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 22.6 mm -62.31 -16.38 16.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 63.44 111.169 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . 0.758 ' SG ' 'ZN ' ' A' ' 202' ' ' ' ZN' . 0.0 OUTLIER -71.08 -8.03 50.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 73.44 110.908 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 48.4 mm-40 -72.48 -39.74 67.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 75.44 110.887 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -114.94 140.29 25.34 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.567 0.699 . . . . 72.13 111.098 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 57.96 1.54 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.618 2.212 . . . . 65.42 112.391 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -54.28 160.98 2.16 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.555 0.693 . . . . 72.32 110.946 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.68 114.19 3.61 Favored 'Trans proline' 0 C--O 1.233 0.247 0 C-N-CA 122.699 2.266 . . . . 74.21 112.37 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.795 ' CD2' HD12 ' A' ' 73' ' ' LEU . 1.0 OUTLIER -62.57 146.02 52.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.317 -0.401 . . . . 75.41 110.884 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -167.59 -179.65 40.48 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.735 -0.745 . . . . 45.1 112.515 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -105.57 24.05 12.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.8 0.333 . . . . 52.12 111.149 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -50.78 103.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 73.42 110.962 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.74 160.07 81.37 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.597 0.713 . . . . 71.21 111.106 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.664 ' HD3' HD12 ' A' ' 69' ' ' LEU . 53.8 Cg_endo -69.71 -175.91 1.3 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.685 2.257 . . . . 62.43 112.351 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.498 ' N ' HD11 ' A' ' 55' ' ' LEU . . . -94.96 151.83 18.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 73.33 111.107 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 5.4 mp . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 74.14 110.987 179.974 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . 0.758 'ZN ' ' SG ' ' A' ' 91' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_