data_2i2j_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 2i2j _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.488 1.444 0 CA-C-O 121.287 0.565 . . . . 3.33 110.185 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -51.27 -55.08 20.08 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.176 -0.953 . . . . 2.69 110.267 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 1.555 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 5.4 ttt180 -53.13 -50.93 63.51 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.251 -0.906 . . . . 4.22 110.211 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 1.608 HD13 ' CD2' ' A' ' 10' ' ' LEU . 0.2 OUTLIER -55.34 -50.45 69.61 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.229 -0.919 . . . . 2.24 110.273 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.68 -51.05 71.13 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.134 -0.979 . . . . 2.72 110.228 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 1.434 ' OD1' ' CB ' ' A' ' 12' ' ' ASN . 9.6 t30 -58.32 -51.62 69.03 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.169 -0.957 . . . . 2.09 110.23 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 1.477 ' HG2' ' CD ' ' A' ' 13' ' ' ARG . 2.5 ttt180 -57.09 -50.65 72.11 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.166 -0.959 . . . . 4.11 110.233 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 1.441 ' HG ' ' CB ' ' A' ' 14' ' ' SER . 3.4 t -57.94 -47.77 81.91 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.188 -0.945 . . . . 1.72 110.224 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -60.35 -50.56 73.11 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.171 -0.956 . . . . 2.68 110.238 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 1.57 ' HG1' ' CB ' ' A' ' 16' ' ' THR . 0.9 OUTLIER -59.71 -47.82 84.13 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.136 -0.977 . . . . 1.71 110.251 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 1.519 HE21 ' CG ' ' A' ' 17' ' ' GLN . 6.2 tt0 . . . . . 0 C--N 1.297 -1.685 0 O-C-N 121.093 -1.004 . . . . 2.89 110.252 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 121.246 0.545 . . . . 0.0 110.181 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -52.04 -51.62 56.32 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.203 -0.936 . . . . 0.0 110.213 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -50.44 73.87 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.254 -0.904 . . . . 0.0 110.162 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.1 tp -53.43 -49.07 68.11 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.208 -0.932 . . . . 0.0 110.233 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.7 m-30 -63.02 -47.64 82.19 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.255 -0.903 . . . . 0.0 110.243 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -61.42 -47.71 84.52 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.254 -0.904 . . . . 0.0 110.213 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.52 -51.76 67.3 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.285 -0.884 . . . . 0.0 110.2 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 28.5 t -58.12 -44.99 88.03 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.234 -0.916 . . . . 0.0 110.226 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -64.79 -55.43 19.77 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.292 -0.88 . . . . 0.0 110.257 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.7 m -57.26 -52.29 65.91 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.241 -0.912 . . . . 0.0 110.23 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 N--CA 1.491 1.607 0 O-C-N 121.233 -0.917 . . . . 0.0 110.203 -179.98 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.1 t80 . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 121.188 0.518 . . . . 0.0 109.998 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -63.03 -45.72 90.96 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.224 -0.923 . . . . 0.0 109.898 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.434 ' O ' ' HB2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -58.91 -46.33 88.17 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.219 -0.926 . . . . 0.0 109.901 179.724 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 tp -63.63 -46.44 85.7 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.285 -0.884 . . . . 0.0 109.957 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.458 ' O ' ' HB2' ' A' ' 15' ' ' PHE . 0.2 OUTLIER -57.19 -49.53 75.7 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.309 -0.869 . . . . 0.0 110.102 179.793 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -63.33 -56.34 17.21 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.273 -0.892 . . . . 0.0 110.069 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.453 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -56.3 -46.69 79.7 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.303 -0.873 . . . . 0.0 110.081 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.455 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 97.5 p -59.29 -47.31 85.86 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.278 -0.888 . . . . 0.0 110.142 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.458 ' HB2' ' O ' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -60.41 -46.75 88.88 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.268 -0.895 . . . . 0.0 110.173 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.3 m -61.45 -57.76 10.91 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.245 -0.909 . . . . 0.0 110.188 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' A' ' 14' ' ' SER . 12.9 pt20 . . . . . 0 N--CA 1.491 1.587 0 O-C-N 121.19 -0.944 . . . . 0.0 110.191 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 121.231 0.538 . . . . 0.0 110.191 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -46.44 -56.34 6.08 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.271 -0.893 . . . . 0.0 110.173 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.33 -55.32 19.05 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.231 -0.918 . . . . 0.0 110.18 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.59 -53.78 27.9 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.29 -0.881 . . . . 0.0 110.131 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -53.83 -54.1 43.24 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.247 -0.908 . . . . 0.0 110.17 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -57.73 -41.91 82.8 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.258 -0.901 . . . . 0.0 110.23 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.9 -52.71 64.25 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.231 -0.918 . . . . 0.0 110.202 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.43 -46.82 88.64 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.191 -0.943 . . . . 0.0 110.13 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -59.8 -51.07 71.32 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.256 -0.903 . . . . 0.0 110.259 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.0 m -59.79 -53.49 57.31 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.315 -0.866 . . . . 0.0 110.25 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.401 ' O ' ' NE2' ' A' ' 17' ' ' GLN . 2.6 tm0? . . . . . 0 N--CA 1.491 1.624 0 O-C-N 121.294 -0.879 . . . . 0.0 110.198 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 121.219 0.533 . . . . 0.0 110.147 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -54.63 -59.5 4.63 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.248 -0.907 . . . . 0.0 110.104 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.26 -49.94 63.06 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.217 -0.927 . . . . 0.0 110.036 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.409 ' O ' ' CB ' ' A' ' 14' ' ' SER . 1.3 tt -56.32 -45.47 80.29 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.22 -0.925 . . . . 0.0 110.045 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.457 ' O ' ' HB2' ' A' ' 15' ' ' PHE . 7.0 t80 -60.73 -49.65 76.65 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.294 -0.879 . . . . 0.0 110.107 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -59.54 -58.29 9.23 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.304 -0.873 . . . . 0.0 110.14 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 21.6 ttp180 -58.45 -46.36 86.71 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.234 -0.916 . . . . 0.0 110.152 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.409 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 88.0 p -56.93 -49.88 74.3 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.233 -0.917 . . . . 0.0 110.056 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.457 ' HB2' ' O ' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -60.64 -51.17 70.54 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.239 -0.913 . . . . 0.0 110.107 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 51.9 m -56.77 -48.0 78.85 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.158 -0.964 . . . . 0.0 110.073 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 . . . . . 0 N--CA 1.49 1.547 0 O-C-N 121.252 -0.905 . . . . 0.0 110.226 179.966 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.243 0.544 . . . . 0.0 110.214 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -55.97 -56.14 24.35 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.217 -0.927 . . . . 0.0 110.1 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -50.03 -52.86 30.9 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.236 -0.915 . . . . 0.0 110.147 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.4 tp -58.06 -48.66 79.45 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.246 -0.909 . . . . 0.0 110.121 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.441 ' O ' ' HB2' ' A' ' 15' ' ' PHE . 1.8 m-85 -53.68 -49.87 67.08 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.188 -0.945 . . . . 0.0 110.172 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -62.01 -53.09 60.38 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.235 -0.915 . . . . 0.0 110.121 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.401 ' O ' ' OG1' ' A' ' 16' ' ' THR . 1.0 OUTLIER -55.2 -58.88 5.89 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.307 -0.871 . . . . 0.0 110.23 179.874 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.7 t -53.16 -46.6 68.95 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.219 -0.926 . . . . 0.0 110.097 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.441 ' HB2' ' O ' ' A' ' 11' ' ' PHE . 1.6 m-85 -55.63 -53.34 57.71 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.203 -0.936 . . . . 0.0 110.189 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 13' ' ' ARG . 2.1 p -59.43 -39.99 85.32 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.249 -0.907 . . . . 0.0 110.215 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.188 -0.945 . . . . 0.0 110.27 179.887 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.493 1.703 0 CA-C-O 121.223 0.535 . . . . 0.0 110.2 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -55.27 -56.9 14.73 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.2 -0.938 . . . . 0.0 110.2 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.46 -54.0 43.3 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.27 -0.894 . . . . 0.0 110.208 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.8 tt -51.57 -50.02 60.92 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.241 -0.912 . . . . 0.0 110.205 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.1 -56.2 25.11 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.296 -0.877 . . . . 0.0 110.234 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -50.44 -49.9 53.64 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.223 -0.923 . . . . 0.0 110.208 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.402 ' O ' ' HB2' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -58.6 -52.32 66.17 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.253 -0.904 . . . . 0.0 110.143 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.4 p -61.39 -45.16 95.52 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.334 -0.854 . . . . 0.0 110.272 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -58.01 -47.73 82.15 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.237 -0.914 . . . . 0.0 110.247 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 72.3 p -66.49 -57.88 6.41 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.273 -0.892 . . . . 0.0 110.217 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.402 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.645 0 O-C-N 121.274 -0.891 . . . . 0.0 110.24 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 121.266 0.555 . . . . 0.0 110.175 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -46.41 -53.18 11.53 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.202 -0.936 . . . . 0.0 110.155 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.8 -56.12 15.8 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.151 -0.968 . . . . 0.0 110.191 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.409 ' O ' ' HB2' ' A' ' 14' ' ' SER . 8.6 mt -53.07 -45.06 67.97 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.281 -0.887 . . . . 0.0 110.215 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -59.52 -57.55 12.46 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.189 -0.944 . . . . 0.0 110.248 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -56.89 -51.4 69.23 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.241 -0.912 . . . . 0.0 110.204 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.458 ' O ' ' HB2' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -55.44 -55.46 31.46 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.28 -0.887 . . . . 0.0 110.19 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.409 ' HB2' ' O ' ' A' ' 10' ' ' LEU . 0.9 OUTLIER -53.51 -49.24 67.98 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.28 -0.888 . . . . 0.0 110.201 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -66.51 -49.82 65.28 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.279 -0.888 . . . . 0.0 110.211 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 49.3 m -57.49 -52.75 64.13 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.154 -0.966 . . . . 0.0 110.128 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.458 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.655 0 O-C-N 121.216 -0.928 . . . . 0.0 110.196 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.273 0.559 . . . . 0.0 110.193 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -49.63 -60.69 2.64 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.24 -0.912 . . . . 0.0 110.161 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 43.6 ttt180 -52.92 -48.55 67.18 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.258 -0.901 . . . . 0.0 110.237 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 tt -52.13 -54.33 31.91 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.235 -0.916 . . . . 0.0 110.125 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.43 ' O ' ' HB2' ' A' ' 15' ' ' PHE . 0.3 OUTLIER -59.0 -51.37 70.36 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.244 -0.91 . . . . 0.0 110.195 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -53.61 -50.55 65.44 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.215 -0.928 . . . . 0.0 110.208 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.9 mmt-85 -60.3 -56.05 26.27 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.244 -0.91 . . . . 0.0 110.232 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.5 p -55.47 -43.21 75.29 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.288 -0.882 . . . . 0.0 110.231 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.43 ' HB2' ' O ' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -62.44 -45.74 91.72 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.325 -0.86 . . . . 0.0 110.204 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 32.6 m -63.97 -42.09 97.36 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.182 -0.949 . . . . 0.0 110.17 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 . . . . . 0 N--CA 1.49 1.573 0 O-C-N 121.24 -0.913 . . . . 0.0 110.262 179.945 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.244 0.545 . . . . 0.0 110.17 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -53.64 -66.53 0.38 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.236 -0.915 . . . . 0.0 110.221 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.51 ' HD2' ' NH2' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -46.71 -43.98 18.35 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.24 -0.912 . . . . 0.0 110.224 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.4 mt -57.85 -58.39 8.58 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.35 -0.844 . . . . 0.0 110.277 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -56.58 -46.11 80.98 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.264 -0.898 . . . . 0.0 110.123 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -58.63 -57.83 11.25 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.31 -0.869 . . . . 0.0 110.25 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.51 ' NH2' ' HD2' ' A' ' 9' ' ' ARG . 0.9 OUTLIER -54.25 -53.14 57.63 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.172 -0.955 . . . . 0.0 110.146 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.2 m -52.18 -52.68 50.56 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.328 -0.858 . . . . 0.0 110.216 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -67.04 -50.44 61.95 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.278 -0.889 . . . . 0.0 110.218 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.9 m -48.67 -59.28 3.66 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.245 -0.909 . . . . 0.0 110.254 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 N--CA 1.492 1.657 0 O-C-N 121.172 -0.955 . . . . 0.0 110.14 -179.99 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 121.271 0.557 . . . . 0.0 110.114 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -60.14 -43.57 95.62 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.232 -0.918 . . . . 0.0 109.838 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.2 ttm-85 -56.12 -48.43 76.22 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.313 -0.867 . . . . 0.0 109.978 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.45 -47.96 77.06 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.248 -0.908 . . . . 0.0 110.008 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.411 ' O ' ' HB2' ' A' ' 15' ' ' PHE . 0.5 OUTLIER -53.31 -47.69 69.05 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.262 -0.899 . . . . 0.0 110.037 179.856 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -66.95 -56.54 9.74 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.272 -0.892 . . . . 0.0 110.105 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.57 -40.37 71.89 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.202 -0.936 . . . . 0.0 110.053 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 28.9 t -66.46 -49.75 65.64 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.252 -0.905 . . . . 0.0 110.145 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.411 ' HB2' ' O ' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -58.18 -50.03 74.96 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.256 -0.902 . . . . 0.0 110.153 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.6 p -63.97 -45.11 90.58 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.158 -0.964 . . . . 0.0 110.219 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 43.3 tp60 . . . . . 0 N--CA 1.491 1.604 0 O-C-N 121.237 -0.915 . . . . 0.0 110.182 179.968 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.264 0.554 . . . . 0.0 110.168 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -53.98 -49.94 67.67 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.24 -0.912 . . . . 0.0 110.173 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.26 -54.33 44.76 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.239 -0.913 . . . . 0.0 110.177 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.85 -50.32 70.9 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.26 -0.9 . . . . 0.0 110.179 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -54.3 -49.53 69.43 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.232 -0.917 . . . . 0.0 110.221 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 34.4 t30 -59.84 -51.52 69.39 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.194 -0.941 . . . . 0.0 110.25 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.479 ' C ' ' CD ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -53.96 -54.36 39.99 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.264 -0.898 . . . . 0.0 110.162 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.39 -44.72 84.73 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.269 -0.895 . . . . 0.0 110.129 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.5 -51.49 69.26 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.221 -0.924 . . . . 0.0 110.185 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 37.7 m -60.81 -48.57 81.19 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.294 -0.879 . . . . 0.0 110.155 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.647 0 O-C-N 121.3 -0.875 . . . . 0.0 110.213 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 121.248 0.547 . . . . 0.0 110.214 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -48.7 -57.84 5.67 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.266 -0.896 . . . . 0.0 110.155 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.83 -53.31 33.24 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.239 -0.913 . . . . 0.0 110.193 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.458 HD22 ' N ' ' A' ' 10' ' ' LEU . 1.9 mm? -51.97 -56.61 13.14 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.287 -0.883 . . . . 0.0 110.194 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -53.8 -49.56 68.05 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.272 -0.892 . . . . 0.0 110.204 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -58.36 -46.1 86.95 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.257 -0.902 . . . . 0.0 110.202 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.456 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -59.81 -49.99 75.55 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.298 -0.876 . . . . 0.0 110.178 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.55 -50.04 75.43 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.247 -0.908 . . . . 0.0 110.195 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.8 -45.44 86.07 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.22 -0.925 . . . . 0.0 110.185 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.1 m -65.62 -55.05 19.66 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.279 -0.888 . . . . 0.0 110.166 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 . . . . . 0 N--CA 1.491 1.598 0 O-C-N 121.267 -0.896 . . . . 0.0 110.216 -179.998 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 121.285 0.564 . . . . 0.0 110.228 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -51.68 -55.07 21.64 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.173 -0.955 . . . . 0.0 110.177 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 -49.94 -55.29 15.08 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.287 -0.883 . . . . 0.0 110.229 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.402 HD11 ' HA ' ' A' ' 10' ' ' LEU . 0.9 OUTLIER -55.2 -44.94 75.81 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.239 -0.913 . . . . 0.0 110.236 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -58.15 -56.61 19.88 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.286 -0.884 . . . . 0.0 110.123 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -56.47 -53.8 53.17 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.193 -0.942 . . . . 0.0 110.2 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 -56.58 -47.23 79.99 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.229 -0.919 . . . . 0.0 110.1 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.5 t -56.75 -53.29 59.45 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.213 -0.93 . . . . 0.0 110.153 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -57.16 -50.37 73.04 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.251 -0.905 . . . . 0.0 110.176 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 53.2 m -57.23 -44.93 84.23 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.33 -0.857 . . . . 0.0 110.17 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.491 1.602 0 O-C-N 121.29 -0.882 . . . . 0.0 110.201 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 121.236 0.541 . . . . 0.0 110.241 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.535 ' CE1' ' OD1' ' A' ' 12' ' ' ASN . 49.1 t80 -60.5 -54.58 43.79 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.284 -0.885 . . . . 0.0 110.178 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.8 tpp180 -56.25 -46.5 79.58 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.241 -0.912 . . . . 0.0 110.225 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.96 -46.62 88.84 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.255 -0.903 . . . . 0.0 110.21 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -61.36 -52.12 65.96 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.282 -0.886 . . . . 0.0 110.238 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.535 ' OD1' ' CE1' ' A' ' 8' ' ' PHE . 7.8 m120 -60.67 -42.17 96.54 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.249 -0.907 . . . . 0.0 110.214 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.17 -55.33 22.56 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.237 -0.915 . . . . 0.0 110.172 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 92.9 p -56.97 -46.65 82.05 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.254 -0.904 . . . . 0.0 110.184 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -61.66 -50.55 72.05 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.234 -0.916 . . . . 0.0 110.199 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.5 m -57.41 -55.98 27.82 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.29 -0.881 . . . . 0.0 110.189 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 . . . . . 0 N--CA 1.492 1.625 0 O-C-N 121.29 -0.882 . . . . 0.0 110.198 -179.993 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.3 t80 . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.189 0.518 . . . . 0.0 109.967 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -62.12 -43.51 98.68 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.255 -0.903 . . . . 0.0 109.87 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -59.44 -47.89 83.73 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.217 -0.927 . . . . 0.0 109.962 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.8 tp -63.16 -47.31 83.22 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.215 -0.928 . . . . 0.0 109.989 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -56.72 -46.54 81.23 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.273 -0.892 . . . . 0.0 109.971 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -63.91 -52.41 60.01 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.276 -0.89 . . . . 0.0 110.072 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.35 -49.01 68.03 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.298 -0.876 . . . . 0.0 110.018 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 37.1 t -61.22 -52.0 66.62 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.319 -0.863 . . . . 0.0 110.098 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -55.11 -43.01 73.66 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.218 -0.926 . . . . 0.0 110.012 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.9 m -64.24 -50.47 67.87 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.267 -0.895 . . . . 0.0 110.152 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 . . . . . 0 N--CA 1.491 1.601 0 O-C-N 121.281 -0.887 . . . . 0.0 110.206 179.978 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 121.206 0.527 . . . . 0.0 110.069 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -58.64 -45.21 89.77 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.282 -0.886 . . . . 0.0 110.084 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.08 -48.26 80.68 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.301 -0.874 . . . . 0.0 110.164 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.4 tp -62.45 -50.93 69.5 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.297 -0.877 . . . . 0.0 110.122 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -55.22 -43.54 74.57 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.301 -0.874 . . . . 0.0 110.064 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.422 ' O ' ' OG1' ' A' ' 16' ' ' THR . 0.9 OUTLIER -65.95 -48.95 69.61 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.317 -0.864 . . . . 0.0 110.167 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.6 ttt-85 -56.85 -53.65 55.49 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.275 -0.891 . . . . 0.0 110.201 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 91.2 p -62.39 -47.12 85.53 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.271 -0.893 . . . . 0.0 110.19 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -59.77 -44.36 93.91 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.239 -0.913 . . . . 0.0 110.207 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' ' 12' ' ' ASN . 24.9 m -65.62 -46.65 78.47 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.275 -0.891 . . . . 0.0 110.197 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 . . . . . 0 N--CA 1.491 1.598 0 O-C-N 121.306 -0.871 . . . . 0.0 110.179 -179.966 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.248 0.547 . . . . 0.0 110.212 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -45.98 -55.46 6.8 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.244 -0.91 . . . . 0.0 110.269 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -53.26 -58.71 6.13 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.23 -0.919 . . . . 0.0 110.174 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 mp -50.41 -44.98 55.3 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.281 -0.887 . . . . 0.0 110.167 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -60.9 -53.39 57.89 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.214 -0.929 . . . . 0.0 110.218 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.461 ' O ' ' OG1' ' A' ' 16' ' ' THR . 48.9 t-20 -55.14 -52.73 62.37 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.281 -0.887 . . . . 0.0 110.169 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.43 -57.56 12.38 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.32 -0.862 . . . . 0.0 110.223 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.5 m -52.45 -47.22 66.55 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.222 -0.924 . . . . 0.0 110.171 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.487 ' CD1' ' C ' ' A' ' 15' ' ' PHE . 7.5 t80 -58.49 -55.87 29.49 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.299 -0.876 . . . . 0.0 110.188 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.461 ' OG1' ' O ' ' A' ' 12' ' ' ASN . 0.7 OUTLIER -52.99 -51.92 60.01 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.28 -0.888 . . . . 0.0 110.243 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.585 0 O-C-N 121.282 -0.886 . . . . 0.0 110.292 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.233 0.54 . . . . 0.0 110.183 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -49.04 -52.51 24.91 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.247 -0.908 . . . . 0.0 110.165 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.4 mmt180 -56.37 -54.01 50.61 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.287 -0.883 . . . . 0.0 110.137 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -51.28 -47.03 62.62 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.283 -0.886 . . . . 0.0 110.183 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -61.63 -50.58 71.98 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.247 -0.908 . . . . 0.0 110.146 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.418 ' O ' ' OG1' ' A' ' 16' ' ' THR . 21.4 m120 -60.31 -53.77 53.69 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.247 -0.908 . . . . 0.0 110.175 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.59 -54.62 41.79 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.232 -0.918 . . . . 0.0 110.147 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 18.8 p -56.2 -40.52 74.14 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.251 -0.906 . . . . 0.0 110.147 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -62.72 -51.7 66.13 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.273 -0.892 . . . . 0.0 110.198 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' A' ' 12' ' ' ASN . 0.2 OUTLIER -64.42 -46.14 84.52 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.16 -0.962 . . . . 0.0 110.228 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 . . . . . 0 N--CA 1.491 1.596 0 O-C-N 121.246 -0.909 . . . . 0.0 110.191 179.951 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.229 0.538 . . . . 0.0 110.231 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.22 -53.93 46.89 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.322 -0.861 . . . . 0.0 110.224 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -55.1 -48.51 73.49 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.281 -0.887 . . . . 0.0 110.209 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.0 tp -56.76 -51.55 68.45 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.309 -0.869 . . . . 0.0 110.191 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.49 -52.39 65.59 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.269 -0.895 . . . . 0.0 110.245 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -55.06 -45.82 75.35 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.194 -0.941 . . . . 0.0 110.235 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.3 mmt180 -63.92 -50.57 68.16 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.253 -0.904 . . . . 0.0 110.224 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.1 t -55.21 -47.31 75.47 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.176 -0.953 . . . . 0.0 110.199 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.38 -54.53 27.47 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.213 -0.929 . . . . 0.0 110.218 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.8 m -51.17 -42.44 60.84 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.225 -0.922 . . . . 0.0 110.21 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 . . . . . 0 N--CA 1.491 1.603 0 O-C-N 121.269 -0.895 . . . . 0.0 110.188 179.974 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 8.4 t80 . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.269 0.557 . . . . 0.0 110.195 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.57 -50.35 63.14 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.265 -0.897 . . . . 0.0 110.202 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.5 mmt-85 -57.9 -49.16 77.68 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.277 -0.889 . . . . 0.0 110.201 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.42 -52.25 65.35 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.269 -0.895 . . . . 0.0 110.192 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.79 -47.3 85.23 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.214 -0.929 . . . . 0.0 110.226 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -60.02 -50.55 73.27 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.298 -0.876 . . . . 0.0 110.211 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -58.02 -51.41 69.8 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.2 -0.938 . . . . 0.0 110.186 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.1 m -57.38 -46.01 83.87 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.258 -0.901 . . . . 0.0 110.202 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -61.16 -54.93 38.26 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.137 -0.977 . . . . 0.0 110.185 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 38.1 m -56.32 -38.63 71.57 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.244 -0.91 . . . . 0.0 110.212 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 . . . . . 0 N--CA 1.491 1.608 0 O-C-N 121.276 -0.89 . . . . 0.0 110.184 -179.956 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.187 0.518 . . . . 0.0 110.084 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.455 ' O ' ' OD1' ' A' ' 12' ' ' ASN . 2.6 t80 -58.49 -47.22 84.82 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.26 -0.9 . . . . 0.0 110.028 179.879 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.429 ' O ' ' HD3' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -57.02 -46.81 82.09 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.233 -0.917 . . . . 0.0 110.09 179.862 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.452 ' O ' ' HB3' ' A' ' 14' ' ' SER . 0.1 OUTLIER -62.93 -45.33 92.98 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.333 -0.855 . . . . 0.0 110.066 179.883 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.45 ' O ' ' HB2' ' A' ' 15' ' ' PHE . 0.9 OUTLIER -58.68 -50.17 74.87 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.287 -0.883 . . . . 0.0 110.111 179.918 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.455 ' OD1' ' O ' ' A' ' 8' ' ' PHE . 17.8 m120 -63.05 -55.93 21.28 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.231 -0.918 . . . . 0.0 110.132 179.935 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.429 ' HD3' ' O ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -55.04 -49.22 72.11 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.219 -0.926 . . . . 0.0 110.162 179.954 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.452 ' HB3' ' O ' ' A' ' 10' ' ' LEU . 3.7 t -58.54 -47.54 83.85 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.303 -0.873 . . . . 0.0 110.166 179.903 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.45 ' HB2' ' O ' ' A' ' 11' ' ' PHE . 0.1 OUTLIER -57.9 -50.36 73.59 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.176 -0.952 . . . . 0.0 110.154 179.917 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.3 m -59.67 -44.49 93.58 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.322 -0.862 . . . . 0.0 110.151 179.949 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 . . . . . 0 N--CA 1.491 1.608 0 O-C-N 121.257 -0.902 . . . . 0.0 110.187 -179.976 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 20.0 t80 . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 121.237 0.541 . . . . 0.0 110.188 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -55.69 -46.73 77.56 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.212 -0.93 . . . . 0.0 110.217 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.0 ttt85 -56.33 -52.46 64.48 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.256 -0.902 . . . . 0.0 110.168 -179.953 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.85 -48.55 80.96 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.281 -0.887 . . . . 0.0 110.231 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -55.89 -47.92 76.55 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.251 -0.906 . . . . 0.0 110.269 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -63.22 -56.77 13.81 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.217 -0.927 . . . . 0.0 110.206 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.91 -46.63 52.12 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.229 -0.919 . . . . 0.0 110.295 179.959 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 t -63.56 -50.87 67.8 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.249 -0.907 . . . . 0.0 110.262 179.879 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.15 -47.8 82.94 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.249 -0.907 . . . . 0.0 110.239 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.8 m -62.85 -43.18 99.47 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.269 -0.894 . . . . 0.0 110.27 179.899 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 . . . . . 0 N--CA 1.491 1.595 0 O-C-N 121.259 -0.901 . . . . 0.0 110.188 179.967 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.24 0.543 . . . . 0.0 110.251 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -48.1 -51.41 24.67 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.3 -0.875 . . . . 0.0 110.15 179.946 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.73 -52.23 50.12 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.24 -0.912 . . . . 0.0 110.108 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.42 -44.32 89.02 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.204 -0.935 . . . . 0.0 110.23 179.878 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.551 ' CZ ' ' CE1' ' A' ' 15' ' ' PHE . 60.8 t80 -58.36 -54.87 42.13 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.24 -0.913 . . . . 0.0 110.225 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -58.09 -49.09 78.13 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.308 -0.87 . . . . 0.0 110.184 179.923 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.29 -53.33 55.17 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.232 -0.917 . . . . 0.0 110.19 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.33 -42.83 92.38 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.258 -0.902 . . . . 0.0 110.132 179.942 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.551 ' CE1' ' CZ ' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -58.44 -51.8 68.29 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.321 -0.862 . . . . 0.0 110.237 179.952 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.4 p -62.78 -43.85 97.73 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.248 -0.907 . . . . 0.0 110.218 179.95 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.655 0 O-C-N 121.295 -0.878 . . . . 0.0 110.181 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.9 t80 . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 121.258 0.551 . . . . 0.0 110.173 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -44.94 -54.64 6.28 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.251 -0.906 . . . . 0.0 110.214 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.85 -57.29 10.72 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.191 -0.943 . . . . 0.0 110.189 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 mp -51.48 -49.48 61.71 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.219 -0.925 . . . . 0.0 110.188 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.98 -46.43 89.48 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.274 -0.891 . . . . 0.0 110.193 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -57.99 -53.56 56.81 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.248 -0.907 . . . . 0.0 110.207 180.0 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.53 -48.08 82.02 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.15 -0.969 . . . . 0.0 110.146 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 88.3 p -57.71 -43.92 85.57 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.228 -0.92 . . . . 0.0 110.18 -179.956 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -64.73 -52.2 58.34 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.274 -0.891 . . . . 0.0 110.228 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.8 m -63.59 -46.44 85.79 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.242 -0.911 . . . . 0.0 110.242 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.642 0 O-C-N 121.322 -0.861 . . . . 0.0 110.168 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.195 0.522 . . . . 0.0 110.128 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -60.55 -69.4 0.23 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.257 -0.902 . . . . 0.0 110.189 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.491 ' HG3' ' N ' ' A' ' 10' ' ' LEU . 9.4 ptm180 -46.33 -36.78 6.65 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.221 -0.924 . . . . 0.0 110.192 179.942 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.491 ' N ' ' HG3' ' A' ' 9' ' ' ARG . 0.8 OUTLIER -64.1 -57.19 10.33 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.197 -0.94 . . . . 0.0 110.121 179.957 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -57.21 -47.44 81.3 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.268 -0.895 . . . . 0.0 110.132 179.923 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.452 ' O ' HG23 ' A' ' 16' ' ' THR . 19.5 t-20 -58.28 -54.63 44.79 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.301 -0.875 . . . . 0.0 110.091 179.926 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.433 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -54.53 -50.88 66.82 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.256 -0.903 . . . . 0.0 110.136 179.966 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.8 m -56.99 -42.91 81.12 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.307 -0.87 . . . . 0.0 110.123 179.911 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -62.32 -49.64 74.81 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.275 -0.891 . . . . 0.0 110.126 179.947 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 12' ' ' ASN . 66.6 p -60.35 -43.31 96.62 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.226 -0.921 . . . . 0.0 110.173 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' 13' ' ' ARG . 50.1 mm-40 . . . . . 0 N--CA 1.492 1.669 0 O-C-N 121.301 -0.874 . . . . 0.0 110.168 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.493 1.685 0 CA-C-O 121.282 0.563 . . . . 0.0 110.212 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -52.35 -57.06 10.98 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.268 -0.895 . . . . 0.0 110.254 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.87 -46.08 74.68 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.214 -0.929 . . . . 0.0 110.22 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.3 tp -55.91 -54.79 40.36 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.248 -0.908 . . . . 0.0 110.195 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -57.96 -53.18 61.15 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.272 -0.893 . . . . 0.0 110.226 179.944 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 -53.67 -53.62 49.41 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.245 -0.91 . . . . 0.0 110.178 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -55.39 -47.55 75.69 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.207 -0.933 . . . . 0.0 110.145 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.6 t -57.02 -51.09 70.65 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.258 -0.901 . . . . 0.0 110.214 179.913 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -59.24 -43.61 92.4 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.194 -0.941 . . . . 0.0 110.129 179.995 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.1 m -62.04 -48.9 78.18 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.264 -0.898 . . . . 0.0 110.147 -179.935 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.609 0 O-C-N 121.273 -0.892 . . . . 0.0 110.219 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 121.279 0.562 . . . . 0.0 110.205 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -54.11 -53.75 48.94 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.276 -0.89 . . . . 0.0 110.211 179.959 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -54.26 -51.15 65.44 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.219 -0.926 . . . . 0.0 110.175 179.921 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.37 -46.99 76.47 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.216 -0.928 . . . . 0.0 110.139 -179.937 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.415 ' CE1' ' CD2' ' A' ' 15' ' ' PHE . 50.5 t80 -60.06 -50.3 74.27 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.251 -0.905 . . . . 0.0 110.143 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.45 ' O ' HG23 ' A' ' 16' ' ' THR . 5.6 t-20 -57.42 -46.03 83.97 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.213 -0.93 . . . . 0.0 110.176 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.504 ' HG2' ' NE2' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -63.04 -54.28 40.65 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.294 -0.879 . . . . 0.0 110.239 179.971 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.55 -47.53 69.94 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.297 -0.877 . . . . 0.0 110.191 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.415 ' CD2' ' CE1' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -65.03 -49.88 68.42 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.214 -0.929 . . . . 0.0 110.266 179.92 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.455 ' OG1' ' O ' ' A' ' 13' ' ' ARG . 6.8 p -53.62 -43.57 68.81 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.321 -0.862 . . . . 0.0 110.225 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.504 ' NE2' ' HG2' ' A' ' 13' ' ' ARG . 59.3 mt-30 . . . . . 0 N--CA 1.492 1.66 0 O-C-N 121.304 -0.872 . . . . 0.0 110.149 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.271 0.558 . . . . 0.0 110.173 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -49.44 -57.55 6.78 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.224 -0.922 . . . . 0.0 110.249 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.23 -50.58 49.41 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.171 -0.956 . . . . 0.0 110.244 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.27 -54.57 41.83 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.258 -0.901 . . . . 0.0 110.214 179.942 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.68 -53.88 45.81 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.211 -0.931 . . . . 0.0 110.217 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -53.35 -51.42 62.51 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.289 -0.882 . . . . 0.0 110.183 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.5 ttp180 -55.79 -56.03 25.4 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.224 -0.923 . . . . 0.0 110.227 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.39 -41.73 66.23 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.272 -0.892 . . . . 0.0 110.212 179.949 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.2 -48.74 77.06 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.32 -0.863 . . . . 0.0 110.216 179.957 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.7 m -61.7 -40.14 93.98 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.204 -0.935 . . . . 0.0 110.228 179.958 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? . . . . . 0 N--CA 1.492 1.635 0 O-C-N 121.259 -0.901 . . . . 0.0 110.216 -179.991 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.189 0.519 . . . . 0.0 110.207 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -45.16 -57.18 4.1 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.264 -0.897 . . . . 0.0 110.2 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.54 -48.23 63.1 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.265 -0.897 . . . . 0.0 110.254 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.484 ' N ' HD12 ' A' ' 10' ' ' LEU . 8.2 mp -56.98 -52.55 64.79 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.243 -0.91 . . . . 0.0 110.231 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.6 -53.06 62.03 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.258 -0.901 . . . . 0.0 110.219 179.956 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -53.78 -50.57 65.78 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.238 -0.914 . . . . 0.0 110.186 -179.95 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.436 ' O ' ' HB2' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -57.4 -53.36 58.98 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.225 -0.922 . . . . 0.0 110.202 -179.953 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 59.4 m -53.43 -51.76 61.61 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.235 -0.916 . . . . 0.0 110.226 -179.963 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -57.23 -57.11 14.07 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.318 -0.864 . . . . 0.0 110.193 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 64.2 p -53.42 -48.62 68.58 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.155 -0.965 . . . . 0.0 110.138 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.436 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.581 0 O-C-N 121.207 -0.933 . . . . 0.0 110.211 179.954 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.19 0.519 . . . . 0.0 110.166 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -46.37 -59.18 3.1 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.26 -0.9 . . . . 0.0 110.182 -179.988 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.85 -43.85 66.36 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.23 -0.919 . . . . 0.0 110.124 179.964 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.446 HD23 ' O ' ' A' ' 10' ' ' LEU . 1.7 tt -57.5 -53.48 57.62 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.285 -0.884 . . . . 0.0 110.207 179.988 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.96 -46.07 88.95 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.126 -0.984 . . . . 0.0 110.144 179.998 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 36.6 t30 -57.56 -58.24 9.18 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.3 -0.875 . . . . 0.0 110.125 179.999 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.33 -52.6 62.96 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.242 -0.912 . . . . 0.0 110.156 -179.951 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.434 ' HB2' ' O ' ' A' ' 10' ' ' LEU . 0.6 OUTLIER -52.25 -45.38 65.35 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.284 -0.885 . . . . 0.0 110.209 179.939 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -63.13 -52.32 63.0 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.312 -0.868 . . . . 0.0 110.163 179.999 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -57.4 -49.89 74.74 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.246 -0.909 . . . . 0.0 110.152 -179.982 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? . . . . . 0 N--CA 1.491 1.594 0 O-C-N 121.263 -0.898 . . . . 0.0 110.261 179.942 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 121.286 0.565 . . . . 0.0 109.998 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.469 ' CE1' ' OD1' ' A' ' 12' ' ' ASN . 13.1 t80 -64.58 -47.44 78.67 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.215 -0.928 . . . . 0.0 109.945 179.838 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 -60.61 -41.29 94.5 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.333 -0.855 . . . . 0.0 110.066 179.866 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.442 ' O ' ' HB2' ' A' ' 14' ' ' SER . 4.8 tp -66.57 -50.02 64.5 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.193 -0.942 . . . . 0.0 110.186 179.889 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -59.95 -40.87 90.47 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.258 -0.901 . . . . 0.0 110.123 179.97 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.469 ' OD1' ' CE1' ' A' ' 8' ' ' PHE . 1.4 m120 -67.98 -51.71 44.21 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.184 -0.947 . . . . 0.0 110.18 179.997 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -59.12 -50.99 71.95 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.274 -0.891 . . . . 0.0 110.228 179.937 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.442 ' HB2' ' O ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -62.22 -46.67 87.82 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.284 -0.885 . . . . 0.0 110.176 179.999 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -60.63 -50.18 74.53 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.241 -0.912 . . . . 0.0 110.211 -179.999 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 50.7 m -60.18 -52.21 66.29 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.272 -0.892 . . . . 0.0 110.184 179.999 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.8 tm0? . . . . . 0 N--CA 1.491 1.599 0 O-C-N 121.188 -0.945 . . . . 0.0 110.217 179.984 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.4 t80 . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.253 0.549 . . . . 0.0 110.171 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.424 ' CD1' ' C ' ' A' ' 8' ' ' PHE . 17.8 t80 -48.63 -59.11 3.78 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.237 -0.914 . . . . 0.0 110.165 -179.973 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.53 -49.25 65.21 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.266 -0.896 . . . . 0.0 110.247 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.82 -52.53 56.64 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.168 -0.958 . . . . 0.0 110.24 179.952 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -59.19 -52.17 66.83 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.284 -0.885 . . . . 0.0 110.176 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -55.86 -54.94 38.44 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.256 -0.902 . . . . 0.0 110.159 -179.979 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.496 ' HD2' ' N ' ' A' ' 14' ' ' SER . 0.7 OUTLIER -54.29 -52.97 59.77 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.206 -0.934 . . . . 0.0 110.192 -179.955 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.496 ' N ' ' HD2' ' A' ' 13' ' ' ARG . 0.4 OUTLIER -54.83 -42.37 71.85 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.356 -0.84 . . . . 0.0 110.215 179.94 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.46 -55.16 26.43 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.201 -0.937 . . . . 0.0 110.214 179.968 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.01 -39.05 92.87 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.25 -0.906 . . . . 0.0 110.217 179.963 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.427 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 7.7 mm-40 . . . . . 0 N--CA 1.491 1.578 0 O-C-N 121.19 -0.944 . . . . 0.0 110.197 179.981 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.7 m-30 . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.293 0.568 . . . . 0.0 110.109 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -58.24 -45.87 86.99 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.295 -0.878 . . . . 0.0 109.979 179.892 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.95 -49.35 77.1 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.317 -0.865 . . . . 0.0 110.064 179.872 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.34 -50.95 71.59 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.253 -0.904 . . . . 0.0 110.091 179.897 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.73 -46.71 74.28 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.216 -0.928 . . . . 0.0 109.969 179.826 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -61.19 -51.5 68.76 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.221 -0.925 . . . . 0.0 110.074 179.83 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.4 ttm-85 -54.29 -51.78 63.53 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.288 -0.883 . . . . 0.0 110.142 179.887 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.7 t -58.13 -50.57 73.04 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.257 -0.902 . . . . 0.0 110.081 179.957 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -54.64 -43.91 72.73 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.289 -0.882 . . . . 0.0 110.21 179.978 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 92.4 m -64.92 -47.37 77.98 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.236 -0.915 . . . . 0.0 110.176 179.898 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.611 0 O-C-N 121.265 -0.897 . . . . 0.0 110.186 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 1.664 ' CB ' ' HA3' ' A' ' 2' ' ' GLY 1.468 2.5 p . . . . . 3 N--CA 0.203 -62.795 2 N-CA-C 171.746 22.498 . . . . 8.36 171.746 . . . . . . . . . 4 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 1.664 ' HA3' ' CB ' ' A' ' 1' ' ' SER . . . 143.97 -141.0 9.86 Favored Glycine 4 N--CA 0.368 -72.519 5 CA-C-N 168.377 23.262 . . . . 5.83 156.053 -179.883 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 1.605 ' HG ' ' CA ' ' A' ' 2' ' ' GLY 1.322 20.0 m 167.44 86.73 0.0 OUTLIER 'General case' 4 N--CA 0.591 -43.39 5 O-C-N 31.081 -54.187 . . . . 5.01 149.161 179.49 . . . . . . . . 5 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 1.483 HD21 ' CB ' ' A' ' 4' ' ' LEU 0.638 0.3 OUTLIER -112.8 -11.81 13.42 Favored 'General case' 3 C--N 0.637 -30.411 2 O-C-N 96.003 -16.686 . . . . 3.57 119.132 -179.965 . . . . . . . . 6 4 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 1.272 ' HG ' ' CB ' ' A' ' 5' ' ' SER 0.259 7.5 t -43.7 -67.67 0.26 Allowed 'General case' 1 N--CA 1.358 -5.029 0 O-C-N 125.163 1.539 . . . . 2.19 114.758 179.974 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 1.588 ' HG1' ' CB ' ' A' ' 6' ' ' THR . 0.3 OUTLIER -47.24 -56.94 5.79 Favored 'General case' 0 C--N 1.293 -1.877 0 O-C-N 121.151 -0.968 . . . . 1.76 110.482 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -51.78 -59.03 4.77 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.08 -1.012 . . . . 3.33 110.185 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -51.27 -55.08 20.08 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.176 -0.953 . . . . 2.69 110.267 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 1.555 ' HD2' ' CG ' ' A' ' 9' ' ' ARG . 5.4 ttt180 -53.13 -50.93 63.51 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.251 -0.906 . . . . 4.22 110.211 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 1.608 HD13 ' CD2' ' A' ' 10' ' ' LEU . 0.2 OUTLIER -55.34 -50.45 69.61 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.229 -0.919 . . . . 2.24 110.273 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.68 -51.05 71.13 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.134 -0.979 . . . . 2.72 110.228 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 1.434 ' OD1' ' CB ' ' A' ' 12' ' ' ASN . 9.6 t30 -58.32 -51.62 69.03 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.169 -0.957 . . . . 2.09 110.23 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 1.477 ' HG2' ' CD ' ' A' ' 13' ' ' ARG . 2.5 ttt180 -57.09 -50.65 72.11 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.166 -0.959 . . . . 4.11 110.233 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 1.441 ' CB ' ' HG ' ' A' ' 14' ' ' SER . 3.4 t -57.94 -47.77 81.91 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.188 -0.945 . . . . 1.72 110.224 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -60.35 -50.56 73.11 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.171 -0.956 . . . . 2.68 110.238 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 1.57 ' HG1' ' CB ' ' A' ' 16' ' ' THR . 0.9 OUTLIER -59.71 -47.82 84.13 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.136 -0.977 . . . . 1.71 110.251 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 1.519 HE21 ' CG ' ' A' ' 17' ' ' GLN . 6.2 tt0 -61.77 -47.35 85.58 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.093 -1.004 . . . . 2.89 110.252 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.976 ' HB1' ' CA ' ' A' ' 18' ' ' ALA . . . -62.87 -51.17 68.04 Favored 'General case' 0 C--N 1.296 -1.719 0 O-C-N 121.104 -0.998 . . . . 1.11 110.166 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 1.58 HD12 ' CD2' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -55.95 -36.7 68.08 Favored 'General case' 0 C--O 1.175 -2.858 0 O-C-N 120.77 -1.206 . . . . 2.34 110.422 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 1.405 ' CA ' ' HZ3' ' A' ' 21' ' ' LYS . . . 12.32 0.01 0.0 OUTLIER Glycine 1 CA--C 0.591 -57.681 2 CA-C-O 171.255 28.142 . . . . 1.81 170.432 -179.974 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 1.405 ' HZ3' ' CA ' ' A' ' 20' ' ' GLY 1.489 6.7 ttpt -140.5 151.08 44.51 Favored 'General case' 4 C--O 0.059 -61.56 5 CA-C-N 14.089 -51.056 . . . . 8.22 135.534 179.855 . . . . . . . . 5 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . 1.262 ' HN2' ' CA ' ' A' ' 20' ' ' GLY . . . . . . . . 1 C--N 0.088 -54.244 2 O-C-N 26.21 -60.307 . . . . 5.79 . . . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.3 m . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 121.186 0.517 . . . . 0.0 110.202 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.437 ' O ' ' O ' ' A' ' 3' ' ' SER . . . -135.07 119.42 2.13 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.437 ' O ' ' O ' ' A' ' 2' ' ' GLY . 6.9 t 55.37 106.19 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.25 -1.147 . . . . 0.0 110.249 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.404 ' HB3' ' CD1' ' A' ' 8' ' ' PHE . 6.5 mp -134.27 16.27 3.76 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.25 -0.906 . . . . 0.0 110.232 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 6' ' ' THR . 7.5 t -52.09 -67.21 0.27 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.281 -0.887 . . . . 0.0 110.222 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 5' ' ' SER . 0.1 OUTLIER -43.25 -65.72 0.46 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.21 -0.931 . . . . 0.0 110.168 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -47.39 -58.04 4.62 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.258 -0.901 . . . . 0.0 110.181 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.404 ' CD1' ' HB3' ' A' ' 4' ' ' LEU . 3.4 m-30 -52.04 -51.62 56.32 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.203 -0.936 . . . . 0.0 110.213 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -50.44 73.87 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.254 -0.904 . . . . 0.0 110.162 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.1 tp -53.43 -49.07 68.11 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.208 -0.932 . . . . 0.0 110.233 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.7 m-30 -63.02 -47.64 82.19 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.255 -0.903 . . . . 0.0 110.243 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -61.42 -47.71 84.52 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.254 -0.904 . . . . 0.0 110.213 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.52 -51.76 67.3 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.285 -0.884 . . . . 0.0 110.2 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.437 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 28.5 t -58.12 -44.99 88.03 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.234 -0.916 . . . . 0.0 110.226 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.446 ' O ' HD11 ' A' ' 19' ' ' LEU . 2.6 m-85 -64.79 -55.43 19.77 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.292 -0.88 . . . . 0.0 110.257 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.7 m -57.26 -52.29 65.91 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.241 -0.912 . . . . 0.0 110.23 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -57.48 -48.77 78.34 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.233 -0.917 . . . . 0.0 110.203 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.437 ' HB2' ' O ' ' A' ' 14' ' ' SER . . . -59.88 -55.57 32.49 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.266 -0.896 . . . . 0.0 110.229 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.446 HD11 ' O ' ' A' ' 15' ' ' PHE . 0.1 OUTLIER -47.34 -42.15 20.81 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.238 -0.914 . . . . 0.0 110.215 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.475 ' O ' ' N ' ' A' ' 22' ' ' NH2 . . . 120.43 0.27 12.55 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.26 -71.32 0.07 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.035 -1.274 . . . . 0.0 110.211 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . 0.475 ' N ' ' O ' ' A' ' 20' ' ' GLY . . . . . . . . 0 C--N 1.305 -1.356 0 O-C-N 119.879 -1.763 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.275 0.559 . . . . 0.0 110.255 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.405 ' O ' ' HB2' ' A' ' 3' ' ' SER . . . -54.67 -93.46 0.01 OUTLIER Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.486 -1.446 . . . . 0.0 109.486 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.405 ' HB2' ' O ' ' A' ' 2' ' ' GLY . 0.3 OUTLIER -179.79 -166.01 0.08 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.222 -1.164 . . . . 0.0 110.283 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.532 ' HA ' ' CB ' ' A' ' 8' ' ' PHE . 0.3 OUTLIER -158.99 -68.43 0.08 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.288 -0.882 . . . . 0.0 110.124 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.463 ' O ' ' O ' ' A' ' 4' ' ' LEU . 10.2 m 54.29 166.07 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.301 -0.875 . . . . 0.0 110.438 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 41.3 p -50.05 -35.78 26.4 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.264 -0.897 . . . . 0.0 109.943 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -54.56 -60.38 3.42 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.257 -0.902 . . . . 0.0 109.998 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.532 ' CB ' ' HA ' ' A' ' 4' ' ' LEU . 9.6 t80 -63.03 -45.72 90.96 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.224 -0.923 . . . . 0.0 109.898 179.689 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.509 ' CG ' ' CD2' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -58.91 -46.33 88.17 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.219 -0.926 . . . . 0.0 109.901 179.724 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 tp -63.63 -46.44 85.7 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.285 -0.884 . . . . 0.0 109.957 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.458 ' O ' ' HB2' ' A' ' 15' ' ' PHE . 0.2 OUTLIER -57.19 -49.53 75.7 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.309 -0.869 . . . . 0.0 110.102 179.793 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -63.33 -56.34 17.21 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.273 -0.892 . . . . 0.0 110.069 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.453 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -56.3 -46.69 79.7 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.303 -0.873 . . . . 0.0 110.081 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.455 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 97.5 p -59.29 -47.31 85.86 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.278 -0.888 . . . . 0.0 110.142 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.458 ' HB2' ' O ' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -60.41 -46.75 88.88 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.268 -0.895 . . . . 0.0 110.173 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.3 m -61.45 -57.76 10.91 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.245 -0.909 . . . . 0.0 110.188 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.507 ' HG3' ' N ' ' A' ' 18' ' ' ALA . 12.9 pt20 -59.17 -37.95 78.6 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.19 -0.944 . . . . 0.0 110.191 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.507 ' N ' ' HG3' ' A' ' 17' ' ' GLN . . . -62.84 -57.36 11.13 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.289 -0.882 . . . . 0.0 110.26 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 37.4 mt -55.37 -30.39 60.25 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.183 -0.948 . . . . 0.0 110.236 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.452 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -78.67 0.22 77.7 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.565 -1.414 . . . . 0.0 109.565 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.452 ' CB ' ' O ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER 172.76 137.44 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.959 -1.318 . . . . 0.0 110.194 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.344 0 O-C-N 119.843 -1.786 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.3 p . . . . . 0 N--CA 1.492 1.659 0 CA-C-O 121.24 0.543 . . . . 0.0 110.171 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.429 ' O ' ' CB ' ' A' ' 3' ' ' SER . . . 155.44 -62.26 0.35 Allowed Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 2' ' ' GLY . 0.1 OUTLIER 64.6 107.75 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.233 -1.157 . . . . 0.0 110.205 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -89.7 177.56 6.49 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.256 -0.903 . . . . 0.0 110.274 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 6' ' ' THR . 0.1 OUTLIER -44.76 -76.9 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.294 -0.879 . . . . 0.0 110.205 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 5' ' ' SER . 0.1 OUTLIER -43.0 -53.89 4.54 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.305 -0.872 . . . . 0.0 110.246 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -54.8 -64.97 0.66 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.238 -0.914 . . . . 0.0 110.191 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -46.44 -56.34 6.08 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.271 -0.893 . . . . 0.0 110.173 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.33 -55.32 19.05 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.231 -0.918 . . . . 0.0 110.18 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.59 -53.78 27.9 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.29 -0.881 . . . . 0.0 110.131 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -53.83 -54.1 43.24 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.247 -0.908 . . . . 0.0 110.17 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -57.73 -41.91 82.8 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.258 -0.901 . . . . 0.0 110.23 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.9 -52.71 64.25 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.231 -0.918 . . . . 0.0 110.202 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.43 -46.82 88.64 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.191 -0.943 . . . . 0.0 110.13 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -59.8 -51.07 71.32 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.256 -0.903 . . . . 0.0 110.259 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.0 m -59.79 -53.49 57.31 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.315 -0.866 . . . . 0.0 110.25 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.401 ' O ' ' NE2' ' A' ' 17' ' ' GLN . 2.6 tm0? -53.85 -47.91 70.53 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.294 -0.879 . . . . 0.0 110.198 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.08 -64.4 0.9 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.292 -0.88 . . . . 0.0 110.234 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.462 ' CD2' ' N ' ' A' ' 19' ' ' LEU . 4.0 mm? -55.75 -17.51 6.21 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.223 -0.923 . . . . 0.0 110.21 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -98.28 0.15 58.5 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.3 tttp 51.62 21.37 1.3 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.968 -1.313 . . . . 0.0 110.192 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.322 0 O-C-N 119.838 -1.789 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 121.196 0.522 . . . . 0.0 110.235 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 99.72 33.91 5.14 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.44 ' O ' ' HB2' ' A' ' 4' ' ' LEU . 68.2 m -108.6 102.75 11.79 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.269 -1.136 . . . . 0.0 110.171 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.44 ' HB2' ' O ' ' A' ' 3' ' ' SER . 0.7 OUTLIER 55.8 18.29 2.88 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.261 -0.899 . . . . 0.0 110.302 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -47.55 -58.93 3.65 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.241 -0.912 . . . . 0.0 110.186 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.2 m -48.04 -58.15 4.84 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.305 -0.872 . . . . 0.0 110.146 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -51.73 -49.14 63.11 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.226 -0.921 . . . . 0.0 110.147 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -54.63 -59.5 4.63 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.248 -0.907 . . . . 0.0 110.104 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.26 -49.94 63.06 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.217 -0.927 . . . . 0.0 110.036 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.409 ' O ' ' CB ' ' A' ' 14' ' ' SER . 1.3 tt -56.32 -45.47 80.29 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.22 -0.925 . . . . 0.0 110.045 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.457 ' O ' ' HB2' ' A' ' 15' ' ' PHE . 7.0 t80 -60.73 -49.65 76.65 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.294 -0.879 . . . . 0.0 110.107 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -59.54 -58.29 9.23 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.304 -0.873 . . . . 0.0 110.14 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 21.6 ttp180 -58.45 -46.36 86.71 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.234 -0.916 . . . . 0.0 110.152 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.454 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 88.0 p -56.93 -49.88 74.3 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.233 -0.917 . . . . 0.0 110.056 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.457 ' HB2' ' O ' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -60.64 -51.17 70.54 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.239 -0.913 . . . . 0.0 110.107 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.412 HG21 ' HB2' ' A' ' 21' ' ' LYS . 51.9 m -56.77 -48.0 78.85 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.158 -0.964 . . . . 0.0 110.073 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -64.95 -47.6 77.08 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.252 -0.905 . . . . 0.0 110.226 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' ' 14' ' ' SER . . . -55.47 -47.97 75.28 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.305 -0.872 . . . . 0.0 110.22 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.0 -48.79 77.62 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.337 -0.852 . . . . 0.0 110.193 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 123.56 0.3 9.32 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.494 -1.442 . . . . 0.0 109.494 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.412 ' HB2' HG21 ' A' ' 16' ' ' THR . 0.1 OUTLIER -46.67 -28.17 1.4 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.072 -1.252 . . . . 0.0 110.213 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.365 0 O-C-N 119.939 -1.726 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.3 t . . . . . 0 N--CA 1.492 1.672 0 CA-C-O 121.208 0.527 . . . . 0.0 110.224 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 84.37 33.25 20.45 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.593 -1.403 . . . . 0.0 109.593 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m 46.86 41.16 10.19 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.224 -1.163 . . . . 0.0 110.225 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -120.56 -6.59 9.72 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.29 -0.881 . . . . 0.0 110.261 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.3 m -43.36 -65.48 0.49 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.271 -0.893 . . . . 0.0 110.143 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -44.04 -54.57 5.36 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.217 -0.927 . . . . 0.0 110.16 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -51.85 -52.09 51.94 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.308 -0.87 . . . . 0.0 110.214 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -55.97 -56.14 24.35 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.217 -0.927 . . . . 0.0 110.1 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -50.03 -52.86 30.9 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.236 -0.915 . . . . 0.0 110.147 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.4 tp -58.06 -48.66 79.45 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.246 -0.909 . . . . 0.0 110.121 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.441 ' O ' ' HB2' ' A' ' 15' ' ' PHE . 1.8 m-85 -53.68 -49.87 67.08 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.188 -0.945 . . . . 0.0 110.172 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -62.01 -53.09 60.38 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.235 -0.915 . . . . 0.0 110.121 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.401 ' O ' ' OG1' ' A' ' 16' ' ' THR . 1.0 OUTLIER -55.2 -58.88 5.89 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.307 -0.871 . . . . 0.0 110.23 179.874 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.7 t -53.16 -46.6 68.95 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.219 -0.926 . . . . 0.0 110.097 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.441 ' HB2' ' O ' ' A' ' 11' ' ' PHE . 1.6 m-85 -55.63 -53.34 57.71 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.203 -0.936 . . . . 0.0 110.189 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 13' ' ' ARG . 2.1 p -59.43 -39.99 85.32 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.249 -0.907 . . . . 0.0 110.215 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -66.68 -52.01 49.59 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.188 -0.945 . . . . 0.0 110.27 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.93 -52.62 64.95 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.24 -0.912 . . . . 0.0 110.196 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 0.2 OUTLIER -48.43 -37.32 16.86 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.23 -0.919 . . . . 0.0 110.182 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.5 0.22 89.37 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.75 88.0 0.33 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.977 -1.308 . . . . 0.0 110.179 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.334 0 O-C-N 119.846 -1.784 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.435 ' O ' ' OG ' ' A' ' 1' ' ' SER . 6.8 p . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.252 0.548 . . . . 0.0 110.152 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -129.65 24.86 4.55 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.4 p -126.69 56.01 1.5 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.253 -1.145 . . . . 0.0 110.232 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.38 -30.68 57.63 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.262 -0.899 . . . . 0.0 110.238 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 6' ' ' THR . 4.7 t -59.49 -66.47 0.51 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.244 -0.91 . . . . 0.0 110.18 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 5' ' ' SER . 32.4 p -42.93 -58.39 2.42 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.277 -0.89 . . . . 0.0 110.281 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -51.68 -49.33 62.59 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.312 -0.868 . . . . 0.0 110.2 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -55.27 -56.9 14.73 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.2 -0.938 . . . . 0.0 110.2 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.46 -54.0 43.3 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.27 -0.894 . . . . 0.0 110.208 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.8 tt -51.57 -50.02 60.92 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.241 -0.912 . . . . 0.0 110.205 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.1 -56.2 25.11 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.296 -0.877 . . . . 0.0 110.234 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -50.44 -49.9 53.64 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.223 -0.923 . . . . 0.0 110.208 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.402 ' O ' ' HB2' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -58.6 -52.32 66.17 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.253 -0.904 . . . . 0.0 110.143 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.407 ' O ' ' CB ' ' A' ' 18' ' ' ALA . 9.4 p -61.39 -45.16 95.52 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.334 -0.854 . . . . 0.0 110.272 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -58.01 -47.73 82.15 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.237 -0.914 . . . . 0.0 110.247 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 72.3 p -66.49 -57.88 6.41 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.273 -0.892 . . . . 0.0 110.217 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.402 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -56.21 -31.17 63.23 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.274 -0.891 . . . . 0.0 110.24 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.407 ' CB ' ' O ' ' A' ' 14' ' ' SER . . . -76.13 -64.0 1.19 Allowed 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.31 -0.869 . . . . 0.0 110.144 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.411 HD22 ' O ' ' A' ' 19' ' ' LEU . 3.2 tt -53.88 -21.5 7.86 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.308 -0.87 . . . . 0.0 110.188 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.56 0.21 61.23 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.76 94.09 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.065 -1.256 . . . . 0.0 110.228 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.351 0 O-C-N 119.904 -1.747 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.3 p . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.23 0.538 . . . . 0.0 110.238 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -165.77 41.51 0.28 Allowed Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.1 t -109.96 -48.91 3.14 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.228 -1.16 . . . . 0.0 110.214 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.6 mt -98.82 47.53 0.98 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.228 -0.92 . . . . 0.0 110.201 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 6' ' ' THR . 1.8 t -50.03 -72.45 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.21 -0.931 . . . . 0.0 110.239 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 5' ' ' SER . 61.9 m -43.41 -61.49 1.35 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.278 -0.889 . . . . 0.0 110.247 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -44.88 -68.47 0.2 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.284 -0.885 . . . . 0.0 110.175 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -46.41 -53.18 11.53 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.202 -0.936 . . . . 0.0 110.155 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.8 -56.12 15.8 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.151 -0.968 . . . . 0.0 110.191 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.409 ' O ' ' HB2' ' A' ' 14' ' ' SER . 8.6 mt -53.07 -45.06 67.97 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.281 -0.887 . . . . 0.0 110.215 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -59.52 -57.55 12.46 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.189 -0.944 . . . . 0.0 110.248 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -56.89 -51.4 69.23 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.241 -0.912 . . . . 0.0 110.204 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.458 ' O ' ' HB2' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -55.44 -55.46 31.46 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.28 -0.887 . . . . 0.0 110.19 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.409 ' HB2' ' O ' ' A' ' 10' ' ' LEU . 0.9 OUTLIER -53.51 -49.24 67.98 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.28 -0.888 . . . . 0.0 110.201 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -66.51 -49.82 65.28 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.279 -0.888 . . . . 0.0 110.211 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.426 ' HA ' HD13 ' A' ' 19' ' ' LEU . 49.3 m -57.49 -52.75 64.13 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.154 -0.966 . . . . 0.0 110.128 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.458 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -61.87 -52.43 64.14 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.216 -0.928 . . . . 0.0 110.196 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.83 -32.6 65.92 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.251 -0.906 . . . . 0.0 110.133 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.426 HD13 ' HA ' ' A' ' 16' ' ' THR . 9.7 mt -63.66 -61.37 2.36 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.281 -0.887 . . . . 0.0 110.199 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.08 0.16 74.74 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.559 -1.416 . . . . 0.0 109.559 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.85 -158.73 0.46 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.046 -1.267 . . . . 0.0 110.144 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 119.837 -1.79 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.8 t . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 121.251 0.548 . . . . 0.0 110.224 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -141.94 133.38 5.66 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.593 -1.403 . . . . 0.0 109.593 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 t 49.52 84.08 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.275 -1.132 . . . . 0.0 110.258 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.08 -65.46 0.86 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.326 -0.859 . . . . 0.0 110.196 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 p -47.95 -48.53 32.07 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.163 -0.961 . . . . 0.0 110.273 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.7 m -45.58 -67.83 0.25 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.249 -0.907 . . . . 0.0 110.215 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.11 -52.81 62.97 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.16 -0.963 . . . . 0.0 110.193 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -49.63 -60.69 2.64 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.24 -0.912 . . . . 0.0 110.161 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 43.6 ttt180 -52.92 -48.55 67.18 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.258 -0.901 . . . . 0.0 110.237 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 tt -52.13 -54.33 31.91 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.235 -0.916 . . . . 0.0 110.125 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.43 ' O ' ' HB2' ' A' ' 15' ' ' PHE . 0.3 OUTLIER -59.0 -51.37 70.36 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.244 -0.91 . . . . 0.0 110.195 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -53.61 -50.55 65.44 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.215 -0.928 . . . . 0.0 110.208 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.9 mmt-85 -60.3 -56.05 26.27 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.244 -0.91 . . . . 0.0 110.232 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.5 p -55.47 -43.21 75.29 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.288 -0.882 . . . . 0.0 110.231 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.43 ' HB2' ' O ' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -62.44 -45.74 91.72 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.325 -0.86 . . . . 0.0 110.204 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 32.6 m -63.97 -42.09 97.36 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.182 -0.949 . . . . 0.0 110.17 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -65.95 -49.18 68.83 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.24 -0.913 . . . . 0.0 110.262 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.38 -47.73 80.83 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.352 -0.842 . . . . 0.0 110.179 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.2 tp -56.49 -43.18 79.42 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.242 -0.911 . . . . 0.0 110.171 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.68 0.28 65.84 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.84 92.3 3.6 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.041 -1.27 . . . . 0.0 110.226 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.366 0 O-C-N 119.851 -1.781 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 121.287 0.565 . . . . 0.0 110.191 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 129.95 147.83 6.32 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.35 162.97 1.56 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.253 -1.145 . . . . 0.0 110.196 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.404 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 0.5 OUTLIER 48.95 50.66 17.4 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.239 -0.913 . . . . 0.0 110.2 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.5 p -55.0 -64.93 0.68 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.258 -0.901 . . . . 0.0 110.254 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.1 m -46.48 -60.91 2.06 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.241 -0.912 . . . . 0.0 110.237 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -55.22 -53.97 49.24 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.239 -0.913 . . . . 0.0 110.17 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.404 ' HB2' ' O ' ' A' ' 4' ' ' LEU . 35.4 t80 -53.64 -66.53 0.38 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.236 -0.915 . . . . 0.0 110.221 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.51 ' HD2' ' NH2' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -46.71 -43.98 18.35 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.24 -0.912 . . . . 0.0 110.224 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.4 mt -57.85 -58.39 8.58 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.35 -0.844 . . . . 0.0 110.277 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -56.58 -46.11 80.98 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.264 -0.898 . . . . 0.0 110.123 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -58.63 -57.83 11.25 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.31 -0.869 . . . . 0.0 110.25 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.51 ' NH2' ' HD2' ' A' ' 9' ' ' ARG . 0.9 OUTLIER -54.25 -53.14 57.63 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.172 -0.955 . . . . 0.0 110.146 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.493 ' O ' ' CB ' ' A' ' 18' ' ' ALA . 24.2 m -52.18 -52.68 50.56 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.328 -0.858 . . . . 0.0 110.216 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -67.04 -50.44 61.95 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.278 -0.889 . . . . 0.0 110.218 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.9 m -48.67 -59.28 3.66 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.245 -0.909 . . . . 0.0 110.254 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 18' ' ' ALA . 1.1 tt0 -66.91 -50.91 60.91 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.172 -0.955 . . . . 0.0 110.14 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 14' ' ' SER . . . -44.03 -53.41 6.32 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.218 -0.926 . . . . 0.0 110.221 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.96 -55.89 8.45 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.25 -0.906 . . . . 0.0 110.188 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 124.29 0.22 8.78 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.543 -1.423 . . . . 0.0 109.543 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.48 ' HG2' ' N ' ' A' ' 22' ' ' NH2 . 11.5 tttt -77.16 -91.25 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.048 -1.266 . . . . 0.0 110.195 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . 0.48 ' N ' ' HG2' ' A' ' 21' ' ' LYS . . . . . . . . 0 C--N 1.304 -1.372 0 O-C-N 119.945 -1.722 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 47.3 t . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 121.225 0.536 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 65.95 178.28 8.13 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.582 -1.407 . . . . 0.0 109.582 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.64 147.22 35.68 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.202 -1.175 . . . . 0.0 110.234 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.533 ' O ' ' CB ' ' A' ' 8' ' ' PHE . 3.6 mp -69.52 -54.2 15.32 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.22 -0.925 . . . . 0.0 110.183 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.462 ' O ' ' O ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER 55.51 163.46 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.313 -0.867 . . . . 0.0 110.241 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.457 ' O ' ' HB2' ' A' ' 10' ' ' LEU . 0.7 OUTLIER -46.54 -36.17 6.51 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.259 -0.9 . . . . 0.0 110.174 179.89 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -56.03 -63.43 1.18 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.21 -0.931 . . . . 0.0 110.114 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.533 ' CB ' ' O ' ' A' ' 4' ' ' LEU . 4.1 t80 -60.14 -43.57 95.62 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.232 -0.918 . . . . 0.0 109.838 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.2 ttm-85 -56.12 -48.43 76.22 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.313 -0.867 . . . . 0.0 109.978 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.457 ' HB2' ' O ' ' A' ' 6' ' ' THR . 0.2 OUTLIER -64.45 -47.96 77.06 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.248 -0.908 . . . . 0.0 110.008 179.791 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.411 ' O ' ' HB2' ' A' ' 15' ' ' PHE . 0.5 OUTLIER -53.31 -47.69 69.05 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.262 -0.899 . . . . 0.0 110.037 179.856 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -66.95 -56.54 9.74 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.272 -0.892 . . . . 0.0 110.105 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.57 -40.37 71.89 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.202 -0.936 . . . . 0.0 110.053 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 28.9 t -66.46 -49.75 65.64 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.252 -0.905 . . . . 0.0 110.145 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.411 ' HB2' ' O ' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -58.18 -50.03 74.96 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.256 -0.902 . . . . 0.0 110.153 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.6 p -63.97 -45.11 90.58 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.158 -0.964 . . . . 0.0 110.219 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 43.3 tp60 -57.74 -49.19 77.38 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.237 -0.915 . . . . 0.0 110.182 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.35 -48.32 73.4 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.244 -0.91 . . . . 0.0 110.225 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.44 HD21 ' O ' ' A' ' 19' ' ' LEU . 7.3 tt -56.33 -38.52 71.43 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.229 -0.919 . . . . 0.0 110.224 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.44 0.25 64.9 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.554 -1.419 . . . . 0.0 109.554 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.1 tttt -144.62 92.91 2.35 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.009 -1.289 . . . . 0.0 110.137 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.347 0 O-C-N 119.838 -1.789 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 121.248 0.547 . . . . 0.0 110.189 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 94.48 131.25 6.19 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.601 -1.4 . . . . 0.0 109.601 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 p -46.37 126.78 8.38 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.314 -1.109 . . . . 0.0 110.226 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -129.78 -2.12 4.75 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.304 -0.873 . . . . 0.0 110.271 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.6 m -50.43 -72.55 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.342 -0.849 . . . . 0.0 110.197 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -45.97 -47.35 16.6 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.302 -0.873 . . . . 0.0 110.182 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -53.94 -58.97 5.32 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.261 -0.899 . . . . 0.0 110.168 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -53.98 -49.94 67.67 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.24 -0.912 . . . . 0.0 110.173 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.26 -54.33 44.76 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.239 -0.913 . . . . 0.0 110.177 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.85 -50.32 70.9 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.26 -0.9 . . . . 0.0 110.179 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -54.3 -49.53 69.43 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.232 -0.917 . . . . 0.0 110.221 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 34.4 t30 -59.84 -51.52 69.39 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.194 -0.941 . . . . 0.0 110.25 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.479 ' C ' ' CD ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -53.96 -54.36 39.99 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.264 -0.898 . . . . 0.0 110.162 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.39 -44.72 84.73 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.269 -0.895 . . . . 0.0 110.129 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.459 ' O ' ' HB2' ' A' ' 19' ' ' LEU . 0.1 OUTLIER -57.5 -51.49 69.26 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.221 -0.924 . . . . 0.0 110.185 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 37.7 m -60.81 -48.57 81.19 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.294 -0.879 . . . . 0.0 110.155 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -45.53 91.24 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.3 -0.875 . . . . 0.0 110.213 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.33 -62.49 1.65 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.204 -0.935 . . . . 0.0 110.17 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.459 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 3.7 mp -55.82 -27.11 49.74 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.177 -0.952 . . . . 0.0 110.205 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.49 0.22 62.1 Favored Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.612 -1.395 . . . . 0.0 109.612 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -88.13 -9.65 52.53 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.034 -1.274 . . . . 0.0 110.132 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.38 0 O-C-N 119.939 -1.726 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 17.3 m . . . . . 0 N--CA 1.492 1.625 0 CA-C-O 121.227 0.537 . . . . 0.0 110.231 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -178.88 59.07 0.08 OUTLIER Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.504 -1.438 . . . . 0.0 109.504 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.77 76.55 1.2 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.226 -1.161 . . . . 0.0 110.223 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 77.7 mt -71.89 -3.11 20.56 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.143 -0.973 . . . . 0.0 110.24 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.57 -56.31 5.28 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.249 -0.907 . . . . 0.0 110.201 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -49.2 -62.02 1.76 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.153 -0.967 . . . . 0.0 110.252 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -52.41 -57.63 9.24 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.287 -0.883 . . . . 0.0 110.214 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -48.7 -57.84 5.67 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.266 -0.896 . . . . 0.0 110.155 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.83 -53.31 33.24 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.239 -0.913 . . . . 0.0 110.193 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.458 HD22 ' N ' ' A' ' 10' ' ' LEU . 1.9 mm? -51.97 -56.61 13.14 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.287 -0.883 . . . . 0.0 110.194 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -53.8 -49.56 68.05 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.272 -0.892 . . . . 0.0 110.204 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -58.36 -46.1 86.95 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.257 -0.902 . . . . 0.0 110.202 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.456 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -59.81 -49.99 75.55 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.298 -0.876 . . . . 0.0 110.178 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.55 -50.04 75.43 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.247 -0.908 . . . . 0.0 110.195 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.513 ' CD2' HD12 ' A' ' 19' ' ' LEU . 0.5 OUTLIER -57.8 -45.44 86.07 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.22 -0.925 . . . . 0.0 110.185 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.446 HG22 ' O ' ' A' ' 21' ' ' LYS . 27.1 m -65.62 -55.05 19.66 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.279 -0.888 . . . . 0.0 110.166 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -52.85 -42.7 65.46 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.267 -0.896 . . . . 0.0 110.216 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.79 -51.56 47.41 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.278 -0.888 . . . . 0.0 110.19 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.513 HD12 ' CD2' ' A' ' 15' ' ' PHE . 9.4 mt -53.56 -39.32 64.68 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.322 -0.861 . . . . 0.0 110.16 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.36 0.2 31.13 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.574 -1.41 . . . . 0.0 109.574 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.446 ' O ' HG22 ' A' ' 16' ' ' THR . 0.0 OUTLIER -136.37 114.55 11.54 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.113 -1.227 . . . . 0.0 110.222 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.324 0 O-C-N 119.799 -1.813 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 69.8 m . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.211 0.529 . . . . 0.0 110.154 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 76.48 20.31 77.0 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.88 161.03 17.44 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.216 -1.167 . . . . 0.0 110.18 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 57.89 15.55 3.14 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.259 -0.901 . . . . 0.0 110.253 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -44.75 -55.28 5.45 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.276 -0.89 . . . . 0.0 110.21 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 99.0 m -47.98 -65.73 0.52 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.224 -0.922 . . . . 0.0 110.228 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -47.75 -57.32 5.72 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.263 -0.898 . . . . 0.0 110.228 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -51.68 -55.07 21.64 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.173 -0.955 . . . . 0.0 110.177 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 -49.94 -55.29 15.08 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.287 -0.883 . . . . 0.0 110.229 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.402 HD11 ' HA ' ' A' ' 10' ' ' LEU . 0.9 OUTLIER -55.2 -44.94 75.81 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.239 -0.913 . . . . 0.0 110.236 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -58.15 -56.61 19.88 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.286 -0.884 . . . . 0.0 110.123 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -56.47 -53.8 53.17 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.193 -0.942 . . . . 0.0 110.2 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 -56.58 -47.23 79.99 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.229 -0.919 . . . . 0.0 110.1 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.5 t -56.75 -53.29 59.45 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.213 -0.93 . . . . 0.0 110.153 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -57.16 -50.37 73.04 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.251 -0.905 . . . . 0.0 110.176 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 53.2 m -57.23 -44.93 84.23 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.33 -0.857 . . . . 0.0 110.17 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 21' ' ' LYS . 0.7 OUTLIER -61.47 -50.87 71.03 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.29 -0.882 . . . . 0.0 110.201 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.32 -40.77 91.79 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.258 -0.901 . . . . 0.0 110.188 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.1 tt -59.2 -55.34 36.14 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.275 -0.891 . . . . 0.0 110.272 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.446 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -85.75 0.18 87.91 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER 60.49 12.92 3.8 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.111 -1.229 . . . . 0.0 110.192 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.312 0 O-C-N 119.856 -1.778 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 121.25 0.548 . . . . 0.0 110.223 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.46 ' O ' ' O ' ' A' ' 3' ' ' SER . . . 103.25 -43.67 1.63 Allowed Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.46 ' O ' ' O ' ' A' ' 2' ' ' GLY . 1.3 m 60.52 126.41 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.248 -1.148 . . . . 0.0 110.217 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.445 ' CD2' ' HB2' ' A' ' 8' ' ' PHE . 5.5 tt -88.38 -19.19 26.94 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.232 -0.917 . . . . 0.0 110.236 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 4' ' ' LEU . 78.3 p -43.03 -69.88 0.12 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.232 -0.918 . . . . 0.0 110.196 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -46.02 -53.49 10.04 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.224 -0.922 . . . . 0.0 110.201 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -53.08 -46.93 68.82 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.245 -0.909 . . . . 0.0 110.241 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.535 ' CE1' ' OD1' ' A' ' 12' ' ' ASN . 49.1 t80 -60.5 -54.58 43.79 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.284 -0.885 . . . . 0.0 110.178 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.8 tpp180 -56.25 -46.5 79.58 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.241 -0.912 . . . . 0.0 110.225 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.96 -46.62 88.84 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.255 -0.903 . . . . 0.0 110.21 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -61.36 -52.12 65.96 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.282 -0.886 . . . . 0.0 110.238 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.535 ' OD1' ' CE1' ' A' ' 8' ' ' PHE . 7.8 m120 -60.67 -42.17 96.54 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.249 -0.907 . . . . 0.0 110.214 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.17 -55.33 22.56 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.237 -0.915 . . . . 0.0 110.172 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 92.9 p -56.97 -46.65 82.05 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.254 -0.904 . . . . 0.0 110.184 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -61.66 -50.55 72.05 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.234 -0.916 . . . . 0.0 110.199 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.5 m -57.41 -55.98 27.82 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.29 -0.881 . . . . 0.0 110.189 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -60.71 -41.23 94.81 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.29 -0.882 . . . . 0.0 110.198 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.53 -65.17 0.73 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.225 -0.922 . . . . 0.0 110.166 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -55.42 -19.94 10.74 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.229 -0.919 . . . . 0.0 110.211 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 21' ' ' LYS . . . -78.02 0.28 73.41 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.507 -1.437 . . . . 0.0 109.507 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 20' ' ' GLY . 5.4 mtpt -44.0 -62.07 1.25 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.001 -1.293 . . . . 0.0 110.149 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.36 0 O-C-N 119.845 -1.785 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 98.1 p . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.224 0.535 . . . . 0.0 110.163 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -141.16 52.55 0.68 Allowed Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.3 t -139.97 -53.88 0.53 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.254 -1.145 . . . . 0.0 110.226 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.574 HD12 ' CD1' ' A' ' 8' ' ' PHE . 0.5 OUTLIER -68.22 -80.29 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.317 -0.864 . . . . 0.0 110.194 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.469 ' O ' ' O ' ' A' ' 4' ' ' LEU . 3.7 m 54.09 166.33 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.332 -0.855 . . . . 0.0 110.406 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.453 ' O ' ' HB2' ' A' ' 10' ' ' LEU . 20.6 m -50.21 -36.07 29.24 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.229 -0.919 . . . . 0.0 109.934 179.781 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -53.91 -61.62 2.18 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.322 -0.861 . . . . 0.0 109.967 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.574 ' CD1' HD12 ' A' ' 4' ' ' LEU . 3.6 t80 -62.12 -43.51 98.68 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.255 -0.903 . . . . 0.0 109.87 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -59.44 -47.89 83.73 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.217 -0.927 . . . . 0.0 109.962 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.453 ' HB2' ' O ' ' A' ' 6' ' ' THR . 2.8 tp -63.16 -47.31 83.22 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.215 -0.928 . . . . 0.0 109.989 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -56.72 -46.54 81.23 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.273 -0.892 . . . . 0.0 109.971 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -63.91 -52.41 60.01 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.276 -0.89 . . . . 0.0 110.072 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.35 -49.01 68.03 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.298 -0.876 . . . . 0.0 110.018 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 37.1 t -61.22 -52.0 66.62 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.319 -0.863 . . . . 0.0 110.098 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -55.11 -43.01 73.66 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.218 -0.926 . . . . 0.0 110.012 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.9 m -64.24 -50.47 67.87 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.267 -0.895 . . . . 0.0 110.152 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -56.57 -47.39 79.6 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.281 -0.887 . . . . 0.0 110.206 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.8 -45.67 88.65 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.164 -0.96 . . . . 0.0 110.172 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.2 tt -50.45 -42.1 53.7 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.305 -0.872 . . . . 0.0 110.227 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.454 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . 93.65 0.5 66.79 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.531 -1.428 . . . . 0.0 109.531 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.454 ' CB ' ' O ' ' A' ' 20' ' ' GLY . 4.0 tttp 66.53 -70.09 0.11 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.058 -1.26 . . . . 0.0 110.204 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . 0.412 ' N ' ' O ' ' A' ' 20' ' ' GLY . . . . . . . . 0 C--N 1.305 -1.333 0 O-C-N 119.951 -1.718 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.8 m . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.209 0.528 . . . . 0.0 110.164 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -70.72 -115.5 0.04 OUTLIER Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.569 -1.412 . . . . 0.0 109.569 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -133.98 91.9 2.88 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.24 -1.153 . . . . 0.0 110.249 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.531 ' CA ' ' CB ' ' A' ' 8' ' ' PHE . 2.2 tp -166.38 -143.11 0.05 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.364 -0.835 . . . . 0.0 110.21 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.6 t 52.31 -179.53 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.282 -0.886 . . . . 0.0 110.259 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -48.95 -49.4 40.6 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.269 -0.894 . . . . 0.0 110.249 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.407 ' C ' ' O ' ' A' ' 6' ' ' THR . 28.2 m-85 -43.03 -63.82 0.74 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.238 -0.914 . . . . 0.0 110.069 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.531 ' CB ' ' CA ' ' A' ' 4' ' ' LEU . 12.3 t80 -58.64 -45.21 89.77 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.282 -0.886 . . . . 0.0 110.084 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.08 -48.26 80.68 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.301 -0.874 . . . . 0.0 110.164 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.4 tp -62.45 -50.93 69.5 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.297 -0.877 . . . . 0.0 110.122 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -55.22 -43.54 74.57 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.301 -0.874 . . . . 0.0 110.064 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.422 ' O ' ' OG1' ' A' ' 16' ' ' THR . 0.9 OUTLIER -65.95 -48.95 69.61 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.317 -0.864 . . . . 0.0 110.167 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.6 ttt-85 -56.85 -53.65 55.49 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.275 -0.891 . . . . 0.0 110.201 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 91.2 p -62.39 -47.12 85.53 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.271 -0.893 . . . . 0.0 110.19 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -59.77 -44.36 93.91 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.239 -0.913 . . . . 0.0 110.207 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' ' 12' ' ' ASN . 24.9 m -65.62 -46.65 78.47 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.275 -0.891 . . . . 0.0 110.197 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -61.08 -42.6 98.81 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.306 -0.871 . . . . 0.0 110.179 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.39 -52.24 35.2 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.278 -0.889 . . . . 0.0 110.199 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.6 tp -49.68 -30.67 9.52 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.257 -0.902 . . . . 0.0 110.191 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.8 0.19 87.72 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.1 mttm 52.25 -179.5 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.086 -1.243 . . . . 0.0 110.247 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.318 0 O-C-N 119.886 -1.759 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.201 0.524 . . . . 0.0 110.205 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -175.42 -84.72 0.06 OUTLIER Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.438 ' OG ' ' HB2' ' A' ' 8' ' ' PHE . 27.8 t -67.1 176.84 1.98 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.27 -1.136 . . . . 0.0 110.24 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 8' ' ' PHE . 0.6 OUTLIER -119.99 157.75 28.19 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.288 -0.882 . . . . 0.0 110.238 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -44.08 -74.15 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.199 -0.938 . . . . 0.0 110.155 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -50.27 -59.33 4.06 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.318 -0.864 . . . . 0.0 110.138 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -49.46 -60.78 2.54 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.347 -0.846 . . . . 0.0 110.212 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.438 ' HB2' ' OG ' ' A' ' 3' ' ' SER . 48.2 t80 -45.98 -55.46 6.8 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.244 -0.91 . . . . 0.0 110.269 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -53.26 -58.71 6.13 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.23 -0.919 . . . . 0.0 110.174 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 mp -50.41 -44.98 55.3 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.281 -0.887 . . . . 0.0 110.167 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -60.9 -53.39 57.89 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.214 -0.929 . . . . 0.0 110.218 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.461 ' O ' ' OG1' ' A' ' 16' ' ' THR . 48.9 t-20 -55.14 -52.73 62.37 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.281 -0.887 . . . . 0.0 110.169 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.43 -57.56 12.38 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.32 -0.862 . . . . 0.0 110.223 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.5 m -52.45 -47.22 66.55 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.222 -0.924 . . . . 0.0 110.171 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.553 ' CD2' HD13 ' A' ' 19' ' ' LEU . 7.5 t80 -58.49 -55.87 29.49 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.299 -0.876 . . . . 0.0 110.188 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.461 ' OG1' ' O ' ' A' ' 12' ' ' ASN . 0.7 OUTLIER -52.99 -51.92 60.01 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.28 -0.888 . . . . 0.0 110.243 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.35 -51.15 68.76 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.282 -0.886 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.24 -68.95 0.3 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.276 -0.89 . . . . 0.0 110.171 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.553 HD13 ' CD2' ' A' ' 15' ' ' PHE . 0.3 OUTLIER -60.97 -12.14 10.38 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.341 -0.849 . . . . 0.0 110.378 -179.93 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.64 -0.04 57.68 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.647 -1.381 . . . . 0.0 109.647 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.1 tptp -79.27 130.51 35.53 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.007 -1.29 . . . . 0.0 110.231 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.36 0 O-C-N 119.808 -1.807 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 121.252 0.549 . . . . 0.0 110.233 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.46 ' O ' ' HB2' ' A' ' 3' ' ' SER . . . 76.0 -72.52 1.83 Allowed Glycine 0 N--CA 1.489 2.206 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.46 ' HB2' ' O ' ' A' ' 2' ' ' GLY . 1.4 t -179.28 -165.77 0.08 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.269 -1.136 . . . . 0.0 110.221 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.5 mt -85.32 14.62 5.11 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.263 -0.898 . . . . 0.0 110.201 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.3 -56.0 10.9 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.232 -0.918 . . . . 0.0 110.174 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.408 ' CG2' ' N ' ' A' ' 7' ' ' PHE . 6.9 t -51.44 -44.09 62.25 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.267 -0.896 . . . . 0.0 110.155 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.408 ' N ' ' CG2' ' A' ' 6' ' ' THR . 0.1 OUTLIER -64.3 -62.83 1.36 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.218 -0.926 . . . . 0.0 110.183 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -49.04 -52.51 24.91 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.247 -0.908 . . . . 0.0 110.165 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.4 mmt180 -56.37 -54.01 50.61 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.287 -0.883 . . . . 0.0 110.137 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -51.28 -47.03 62.62 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.283 -0.886 . . . . 0.0 110.183 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -61.63 -50.58 71.98 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.247 -0.908 . . . . 0.0 110.146 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.418 ' O ' ' OG1' ' A' ' 16' ' ' THR . 21.4 m120 -60.31 -53.77 53.69 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.247 -0.908 . . . . 0.0 110.175 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.59 -54.62 41.79 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.232 -0.918 . . . . 0.0 110.147 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 18.8 p -56.2 -40.52 74.14 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.251 -0.906 . . . . 0.0 110.147 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -62.72 -51.7 66.13 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.273 -0.892 . . . . 0.0 110.198 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' A' ' 12' ' ' ASN . 0.2 OUTLIER -64.42 -46.14 84.52 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.16 -0.962 . . . . 0.0 110.228 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -60.81 -41.83 96.47 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.246 -0.909 . . . . 0.0 110.191 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.84 -58.57 3.72 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.271 -0.893 . . . . 0.0 110.173 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.4 tp -52.91 -20.17 3.14 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.29 -0.881 . . . . 0.0 110.239 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.53 0.31 70.33 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -135.63 -87.84 0.34 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.011 -1.287 . . . . 0.0 110.23 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.329 0 O-C-N 119.835 -1.79 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 12.1 t . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.246 0.546 . . . . 0.0 110.234 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 139.94 115.04 1.21 Allowed Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.636 -1.386 . . . . 0.0 109.636 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.0 m -115.08 -50.79 2.75 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.285 -1.126 . . . . 0.0 110.194 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.9 tp -118.22 -42.42 2.79 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.281 -0.887 . . . . 0.0 110.231 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 6' ' ' THR . 19.0 m -45.33 -65.7 0.5 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.225 -0.922 . . . . 0.0 110.168 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 5' ' ' SER . 96.0 m -43.52 -58.76 2.46 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.342 -0.849 . . . . 0.0 110.211 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -50.58 -50.49 53.6 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.281 -0.887 . . . . 0.0 110.231 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.22 -53.93 46.89 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.322 -0.861 . . . . 0.0 110.224 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -55.1 -48.51 73.49 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.281 -0.887 . . . . 0.0 110.209 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.0 tp -56.76 -51.55 68.45 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.309 -0.869 . . . . 0.0 110.191 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.49 -52.39 65.59 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.269 -0.895 . . . . 0.0 110.245 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -55.06 -45.82 75.35 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.194 -0.941 . . . . 0.0 110.235 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.3 mmt180 -63.92 -50.57 68.16 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.253 -0.904 . . . . 0.0 110.224 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.461 ' O ' ' HB1' ' A' ' 18' ' ' ALA . 2.1 t -55.21 -47.31 75.47 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.176 -0.953 . . . . 0.0 110.199 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.451 ' O ' ' HB2' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -65.38 -54.53 27.47 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.213 -0.929 . . . . 0.0 110.218 -179.929 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.8 m -51.17 -42.44 60.84 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.225 -0.922 . . . . 0.0 110.21 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -76.47 -59.84 2.6 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.269 -0.895 . . . . 0.0 110.188 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.461 ' HB1' ' O ' ' A' ' 14' ' ' SER . . . -44.56 -54.58 5.93 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.318 -0.864 . . . . 0.0 110.221 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.451 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 0.2 OUTLIER -51.35 -61.19 2.39 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.285 -0.884 . . . . 0.0 110.199 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.32 0.25 43.87 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.487 -1.445 . . . . 0.0 109.487 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.421 ' HB2' HD23 ' A' ' 19' ' ' LEU . 0.9 OUTLIER -104.62 77.22 1.35 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.053 -1.263 . . . . 0.0 110.229 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.301 0 O-C-N 119.838 -1.789 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.188 0.518 . . . . 0.0 110.281 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 108.58 -95.79 0.95 Allowed Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.566 -1.414 . . . . 0.0 109.566 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.452 ' O ' ' OG ' ' A' ' 3' ' ' SER . 3.0 t 53.96 54.88 9.07 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.232 -1.158 . . . . 0.0 110.177 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mp -78.14 -62.58 1.63 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.27 -0.893 . . . . 0.0 110.256 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.6 m -47.26 -58.52 4.01 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.248 -0.907 . . . . 0.0 110.207 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.0 p -46.63 -55.67 7.31 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.296 -0.877 . . . . 0.0 110.208 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -53.44 -56.35 17.61 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.3 -0.875 . . . . 0.0 110.195 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.57 -50.35 63.14 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.265 -0.897 . . . . 0.0 110.202 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.5 mmt-85 -57.9 -49.16 77.68 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.277 -0.889 . . . . 0.0 110.201 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.42 -52.25 65.35 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.269 -0.895 . . . . 0.0 110.192 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.79 -47.3 85.23 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.214 -0.929 . . . . 0.0 110.226 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -60.02 -50.55 73.27 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.298 -0.876 . . . . 0.0 110.211 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -58.02 -51.41 69.8 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.2 -0.938 . . . . 0.0 110.186 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.439 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 16.1 m -57.38 -46.01 83.87 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.258 -0.901 . . . . 0.0 110.202 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.432 ' O ' ' HB2' ' A' ' 19' ' ' LEU . 86.2 t80 -61.16 -54.93 38.26 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.137 -0.977 . . . . 0.0 110.185 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 38.1 m -56.32 -38.63 71.57 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.244 -0.91 . . . . 0.0 110.212 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.497 ' O ' ' N ' ' A' ' 21' ' ' LYS . 1.6 mm-40 -73.38 -58.1 3.54 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.276 -0.89 . . . . 0.0 110.184 -179.956 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.439 ' HB2' ' O ' ' A' ' 14' ' ' SER . . . -53.38 -34.47 57.77 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.22 -0.925 . . . . 0.0 110.2 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.432 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 2.8 mm? -64.53 -51.43 62.93 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.241 -0.912 . . . . 0.0 110.151 -179.941 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -91.22 0.17 74.86 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.543 -1.423 . . . . 0.0 109.543 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.497 ' N ' ' O ' ' A' ' 17' ' ' GLN . 9.0 tttt -138.41 81.83 1.87 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.966 -1.314 . . . . 0.0 110.233 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.331 0 O-C-N 119.835 -1.791 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 12.9 m . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 121.249 0.547 . . . . 0.0 110.241 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -107.94 26.44 17.43 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.536 -1.426 . . . . 0.0 109.536 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -112.98 -154.95 0.55 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.233 -1.157 . . . . 0.0 110.249 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.523 ' CA ' ' HB2' ' A' ' 8' ' ' PHE . 0.2 OUTLIER 49.74 -145.31 0.44 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.224 -0.922 . . . . 0.0 110.216 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.9 m 52.67 -178.36 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.259 -0.901 . . . . 0.0 110.28 179.919 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 7' ' ' PHE . 3.3 m -47.86 -49.24 30.12 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.361 -0.837 . . . . 0.0 110.206 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.432 ' C ' ' O ' ' A' ' 6' ' ' THR . 0.3 OUTLIER -42.81 -65.06 0.52 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.266 -0.896 . . . . 0.0 110.084 -179.948 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.523 ' HB2' ' CA ' ' A' ' 4' ' ' LEU . 2.6 t80 -58.49 -47.22 84.82 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.26 -0.9 . . . . 0.0 110.028 179.879 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.429 ' O ' ' HD3' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -57.02 -46.81 82.09 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.233 -0.917 . . . . 0.0 110.09 179.862 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.452 ' O ' ' HB3' ' A' ' 14' ' ' SER . 0.1 OUTLIER -62.93 -45.33 92.98 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.333 -0.855 . . . . 0.0 110.066 179.883 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.45 ' O ' ' HB2' ' A' ' 15' ' ' PHE . 0.9 OUTLIER -58.68 -50.17 74.87 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.287 -0.883 . . . . 0.0 110.111 179.918 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.455 ' OD1' ' O ' ' A' ' 8' ' ' PHE . 17.8 m120 -63.05 -55.93 21.28 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.231 -0.918 . . . . 0.0 110.132 179.935 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.429 ' HD3' ' O ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -55.04 -49.22 72.11 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.219 -0.926 . . . . 0.0 110.162 179.954 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.452 ' HB3' ' O ' ' A' ' 10' ' ' LEU . 3.7 t -58.54 -47.54 83.85 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.303 -0.873 . . . . 0.0 110.166 179.903 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.45 ' HB2' ' O ' ' A' ' 11' ' ' PHE . 0.1 OUTLIER -57.9 -50.36 73.59 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.176 -0.952 . . . . 0.0 110.154 179.917 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.3 m -59.67 -44.49 93.58 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.322 -0.862 . . . . 0.0 110.151 179.949 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -69.64 -53.64 17.74 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.257 -0.902 . . . . 0.0 110.187 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.08 -44.8 67.82 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.198 -0.939 . . . . 0.0 110.178 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 34.6 mt -57.61 -45.45 85.33 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.361 -0.837 . . . . 0.0 110.144 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.429 ' C ' ' HG3' ' A' ' 21' ' ' LYS . . . 77.91 0.16 74.41 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.429 ' HG3' ' C ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -135.05 171.73 14.01 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.065 -1.256 . . . . 0.0 110.208 -179.927 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.374 0 O-C-N 119.823 -1.798 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 33.0 t . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.18 0.515 . . . . 0.0 110.162 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -73.71 88.31 0.64 Allowed Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.96 95.43 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.199 -1.177 . . . . 0.0 110.204 179.947 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -150.57 -69.23 0.19 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.24 -0.912 . . . . 0.0 110.237 179.946 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 6' ' ' THR . 1.6 t -61.57 -73.59 0.1 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.19 -0.944 . . . . 0.0 110.246 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 5' ' ' SER . 74.5 p -42.99 -42.19 3.69 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.262 -0.899 . . . . 0.0 110.194 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -59.77 -59.48 5.37 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.161 -0.962 . . . . 0.0 110.188 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -55.69 -46.73 77.56 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.212 -0.93 . . . . 0.0 110.217 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.0 ttt85 -56.33 -52.46 64.48 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.256 -0.902 . . . . 0.0 110.168 -179.953 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.85 -48.55 80.96 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.281 -0.887 . . . . 0.0 110.231 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -55.89 -47.92 76.55 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.251 -0.906 . . . . 0.0 110.269 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -63.22 -56.77 13.81 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.217 -0.927 . . . . 0.0 110.206 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.91 -46.63 52.12 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.229 -0.919 . . . . 0.0 110.295 179.959 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 t -63.56 -50.87 67.8 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.249 -0.907 . . . . 0.0 110.262 179.879 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.15 -47.8 82.94 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.249 -0.907 . . . . 0.0 110.239 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.8 m -62.85 -43.18 99.47 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.269 -0.894 . . . . 0.0 110.27 179.899 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -63.3 -48.44 78.05 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.259 -0.901 . . . . 0.0 110.188 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.1 -45.01 94.05 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.358 -0.839 . . . . 0.0 110.229 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.7 tt -52.31 -42.01 63.44 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.211 -0.93 . . . . 0.0 110.195 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -78.98 0.12 80.0 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.629 -1.388 . . . . 0.0 109.629 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -125.67 42.96 3.18 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.964 -1.315 . . . . 0.0 110.233 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.335 0 O-C-N 119.862 -1.774 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.192 0.52 . . . . 0.0 110.289 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -81.32 -155.74 14.03 Favored Glycine 0 N--CA 1.488 2.156 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.473 ' OG ' ' N ' ' A' ' 4' ' ' LEU . 30.1 t -117.35 -149.16 0.44 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.193 -1.18 . . . . 0.0 110.261 179.943 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.473 ' N ' ' OG ' ' A' ' 3' ' ' SER . 1.2 mp -119.93 6.31 10.88 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.271 -0.893 . . . . 0.0 110.228 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 4' ' ' LEU . 5.0 t -43.34 -58.46 2.54 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.262 -0.899 . . . . 0.0 110.189 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.22 -61.83 1.93 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.313 -0.867 . . . . 0.0 110.173 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -47.18 -62.35 1.46 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.26 -0.9 . . . . 0.0 110.251 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -48.1 -51.41 24.67 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.3 -0.875 . . . . 0.0 110.15 179.946 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.73 -52.23 50.12 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.24 -0.912 . . . . 0.0 110.108 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.42 -44.32 89.02 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.204 -0.935 . . . . 0.0 110.23 179.878 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.551 ' CZ ' ' CE1' ' A' ' 15' ' ' PHE . 60.8 t80 -58.36 -54.87 42.13 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.24 -0.913 . . . . 0.0 110.225 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -58.09 -49.09 78.13 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.308 -0.87 . . . . 0.0 110.184 179.923 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.29 -53.33 55.17 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.232 -0.917 . . . . 0.0 110.19 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.33 -42.83 92.38 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.258 -0.902 . . . . 0.0 110.132 179.942 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.551 ' CE1' ' CZ ' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -58.44 -51.8 68.29 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.321 -0.862 . . . . 0.0 110.237 179.952 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.4 p -62.78 -43.85 97.73 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.248 -0.907 . . . . 0.0 110.218 179.95 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.99 -48.66 79.33 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.295 -0.878 . . . . 0.0 110.181 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.18 -45.41 91.89 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.223 -0.923 . . . . 0.0 110.249 179.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.17 -42.67 95.5 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.228 -0.92 . . . . 0.0 110.196 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 115.16 0.22 22.43 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 45.5 87.76 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.072 -1.252 . . . . 0.0 110.208 179.94 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.354 0 O-C-N 119.839 -1.788 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 11.2 t . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 121.32 0.581 . . . . 0.0 110.194 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 161.89 157.3 8.82 Favored Glycine 0 N--CA 1.492 2.386 0 N-CA-C 109.501 -1.439 . . . . 0.0 109.501 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.7 t -56.11 -67.63 0.28 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.274 -1.133 . . . . 0.0 110.18 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.462 ' HB3' ' HB3' ' A' ' 7' ' ' PHE . 1.1 mt -116.83 43.53 2.24 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.245 -0.91 . . . . 0.0 110.262 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -42.89 -74.25 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.276 -0.89 . . . . 0.0 110.178 179.998 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 5' ' ' SER . 0.2 OUTLIER -43.69 -58.31 2.75 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.22 -0.925 . . . . 0.0 110.235 179.976 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.462 ' HB3' ' HB3' ' A' ' 4' ' ' LEU . 3.9 t80 -50.79 -62.02 1.86 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.247 -0.908 . . . . 0.0 110.173 -179.947 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.46 ' HB2' ' O ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -44.94 -54.64 6.28 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.251 -0.906 . . . . 0.0 110.214 -179.993 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.85 -57.29 10.72 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.191 -0.943 . . . . 0.0 110.189 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 mp -51.48 -49.48 61.71 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.219 -0.925 . . . . 0.0 110.188 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.98 -46.43 89.48 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.274 -0.891 . . . . 0.0 110.193 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -57.99 -53.56 56.81 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.248 -0.907 . . . . 0.0 110.207 180.0 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.53 -48.08 82.02 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.15 -0.969 . . . . 0.0 110.146 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 88.3 p -57.71 -43.92 85.57 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.228 -0.92 . . . . 0.0 110.18 -179.956 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -64.73 -52.2 58.34 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.274 -0.891 . . . . 0.0 110.228 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.8 m -63.59 -46.44 85.79 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.242 -0.911 . . . . 0.0 110.242 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -45.06 93.87 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.322 -0.861 . . . . 0.0 110.168 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.86 -46.68 83.9 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.171 -0.956 . . . . 0.0 110.218 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.8 tp -56.69 -34.14 67.12 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.215 -0.928 . . . . 0.0 110.221 179.921 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.415 ' O ' ' CG ' ' A' ' 21' ' ' LYS . . . -81.62 0.19 88.41 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 -179.94 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.415 ' CG ' ' O ' ' A' ' 20' ' ' GLY . 0.1 OUTLIER 175.9 -74.95 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.014 -1.286 . . . . 0.0 110.2 179.976 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.302 0 O-C-N 119.841 -1.787 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 69.2 m . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.214 0.53 . . . . 0.0 110.22 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 170.91 -151.26 15.46 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.524 -1.43 . . . . 0.0 109.524 -179.916 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.5 t -147.56 106.66 3.86 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.285 -1.126 . . . . 0.0 110.204 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.403 ' N ' HD13 ' A' ' 4' ' ' LEU . 1.8 mp -106.71 -30.28 9.06 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.184 -0.947 . . . . 0.0 110.209 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.452 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -52.99 -56.09 18.65 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.245 -0.909 . . . . 0.0 110.205 -179.958 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.457 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 60.2 p -42.99 -60.29 1.68 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.255 -0.903 . . . . 0.0 110.219 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.9 -47.39 77.54 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.245 -0.909 . . . . 0.0 110.128 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -60.55 -69.4 0.23 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.257 -0.902 . . . . 0.0 110.189 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.491 ' HG3' ' N ' ' A' ' 10' ' ' LEU . 9.4 ptm180 -46.33 -36.78 6.65 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.221 -0.924 . . . . 0.0 110.192 179.942 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.491 ' N ' ' HG3' ' A' ' 9' ' ' ARG . 0.8 OUTLIER -64.1 -57.19 10.33 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.197 -0.94 . . . . 0.0 110.121 179.957 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -57.21 -47.44 81.3 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.268 -0.895 . . . . 0.0 110.132 179.923 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.452 ' O ' HG23 ' A' ' 16' ' ' THR . 19.5 t-20 -58.28 -54.63 44.79 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.301 -0.875 . . . . 0.0 110.091 179.926 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.433 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -54.53 -50.88 66.82 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.256 -0.903 . . . . 0.0 110.136 179.966 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.8 m -56.99 -42.91 81.12 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.307 -0.87 . . . . 0.0 110.123 179.911 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -62.32 -49.64 74.81 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.275 -0.891 . . . . 0.0 110.126 179.947 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 12' ' ' ASN . 66.6 p -60.35 -43.31 96.62 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.226 -0.921 . . . . 0.0 110.173 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' 13' ' ' ARG . 50.1 mm-40 -63.31 -53.02 59.31 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.301 -0.874 . . . . 0.0 110.168 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -66.84 -50.2 63.3 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.246 -0.909 . . . . 0.0 110.205 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.5 tt -53.64 -23.2 10.46 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.318 -0.864 . . . . 0.0 110.127 -179.957 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 21' ' ' LYS . . . -107.32 0.23 35.11 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 -179.938 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 20' ' ' GLY . 1.2 ttpp -44.13 165.14 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.968 -1.313 . . . . 0.0 110.174 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.317 0 O-C-N 119.79 -1.819 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 121.201 0.524 . . . . 0.0 110.196 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -129.9 173.4 19.81 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.9 m -125.2 57.18 1.31 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.239 -1.153 . . . . 0.0 110.178 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.93 -11.28 51.1 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.227 -0.921 . . . . 0.0 110.259 179.936 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -45.33 -47.34 13.27 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.283 -0.886 . . . . 0.0 110.252 179.945 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -50.57 -66.75 0.33 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.297 -0.877 . . . . 0.0 110.217 179.952 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -53.89 -55.33 27.81 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.237 -0.914 . . . . 0.0 110.212 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -52.35 -57.06 10.98 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.268 -0.895 . . . . 0.0 110.254 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.87 -46.08 74.68 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.214 -0.929 . . . . 0.0 110.22 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.3 tp -55.91 -54.79 40.36 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.248 -0.908 . . . . 0.0 110.195 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -57.96 -53.18 61.15 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.272 -0.893 . . . . 0.0 110.226 179.944 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 -53.67 -53.62 49.41 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.245 -0.91 . . . . 0.0 110.178 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -55.39 -47.55 75.69 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.207 -0.933 . . . . 0.0 110.145 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.6 t -57.02 -51.09 70.65 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.258 -0.901 . . . . 0.0 110.214 179.913 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -59.24 -43.61 92.4 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.194 -0.941 . . . . 0.0 110.129 179.995 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.1 m -62.04 -48.9 78.18 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.264 -0.898 . . . . 0.0 110.147 -179.935 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.44 -46.7 88.98 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.273 -0.892 . . . . 0.0 110.219 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.461 ' O ' ' O ' ' A' ' 21' ' ' LYS . . . -65.42 -48.88 71.25 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.229 -0.92 . . . . 0.0 110.203 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.419 ' C ' HD23 ' A' ' 19' ' ' LEU . 6.1 tt -54.17 -33.21 57.53 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.317 -0.864 . . . . 0.0 110.231 179.958 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.24 0.22 64.13 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.561 -1.416 . . . . 0.0 109.561 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.461 ' O ' ' O ' ' A' ' 18' ' ' ALA . 5.8 mtpp -143.7 150.92 39.39 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.022 -1.281 . . . . 0.0 110.238 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.329 0 O-C-N 119.896 -1.753 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 44.0 p . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.257 0.551 . . . . 0.0 110.25 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.438 ' O ' ' CB ' ' A' ' 3' ' ' SER . . . 95.14 -156.43 21.75 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.565 -1.414 . . . . 0.0 109.565 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.438 ' CB ' ' O ' ' A' ' 2' ' ' GLY . 0.1 OUTLIER 172.5 -163.83 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.257 -1.143 . . . . 0.0 110.168 179.989 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 63.27 16.26 9.3 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.287 -0.883 . . . . 0.0 110.222 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -46.16 -62.44 1.33 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.212 -0.93 . . . . 0.0 110.182 179.932 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -46.78 -54.3 10.09 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.255 -0.903 . . . . 0.0 110.186 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.18 -52.07 60.03 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.246 -0.909 . . . . 0.0 110.205 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -54.11 -53.75 48.94 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.276 -0.89 . . . . 0.0 110.211 179.959 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -54.26 -51.15 65.44 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.219 -0.926 . . . . 0.0 110.175 179.921 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.37 -46.99 76.47 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.216 -0.928 . . . . 0.0 110.139 -179.937 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.415 ' CE1' ' CD2' ' A' ' 15' ' ' PHE . 50.5 t80 -60.06 -50.3 74.27 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.251 -0.905 . . . . 0.0 110.143 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.45 ' O ' HG23 ' A' ' 16' ' ' THR . 5.6 t-20 -57.42 -46.03 83.97 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.213 -0.93 . . . . 0.0 110.176 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.504 ' HG2' ' NE2' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -63.04 -54.28 40.65 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.294 -0.879 . . . . 0.0 110.239 179.971 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.55 -47.53 69.94 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.297 -0.877 . . . . 0.0 110.191 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.459 ' O ' ' HB2' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -65.03 -49.88 68.42 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.214 -0.929 . . . . 0.0 110.266 179.92 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.455 ' OG1' ' O ' ' A' ' 13' ' ' ARG . 6.8 p -53.62 -43.57 68.81 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.321 -0.862 . . . . 0.0 110.225 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.504 ' NE2' ' HG2' ' A' ' 13' ' ' ARG . 59.3 mt-30 -69.8 -53.55 17.72 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.304 -0.872 . . . . 0.0 110.149 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.51 -44.73 76.89 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.229 -0.919 . . . . 0.0 110.234 -179.957 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.459 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 0.3 OUTLIER -51.4 -56.86 10.88 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.219 -0.926 . . . . 0.0 110.187 179.995 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.13 0.25 31.48 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.427 ' HG2' HD11 ' A' ' 19' ' ' LEU . 18.7 mmtp -62.83 -179.96 0.32 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.1 -1.235 . . . . 0.0 110.183 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.307 0 O-C-N 119.904 -1.748 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 85.1 p . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.217 0.532 . . . . 0.0 110.174 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -128.04 172.74 19.05 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 179.988 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.2 t -160.03 53.84 0.35 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.291 -1.123 . . . . 0.0 110.265 -179.928 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 5' ' ' SER . 0.2 OUTLIER -126.51 15.97 7.63 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.282 -0.886 . . . . 0.0 110.203 -179.962 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.451 ' O ' ' CB ' ' A' ' 9' ' ' ARG . 39.2 p -44.57 -54.63 5.9 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.204 -0.935 . . . . 0.0 110.185 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.418 ' N ' ' OG ' ' A' ' 5' ' ' SER . 41.1 m -54.44 -61.13 2.5 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.311 -0.868 . . . . 0.0 110.224 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.06 -66.06 0.45 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.288 -0.883 . . . . 0.0 110.173 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -49.44 -57.55 6.78 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.224 -0.922 . . . . 0.0 110.249 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.451 ' CB ' ' O ' ' A' ' 5' ' ' SER . 0.2 OUTLIER -50.23 -50.58 49.41 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.171 -0.956 . . . . 0.0 110.244 179.998 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.27 -54.57 41.83 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.258 -0.901 . . . . 0.0 110.214 179.942 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.68 -53.88 45.81 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.211 -0.931 . . . . 0.0 110.217 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -53.35 -51.42 62.51 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.289 -0.882 . . . . 0.0 110.183 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.5 ttp180 -55.79 -56.03 25.4 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.224 -0.923 . . . . 0.0 110.227 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.39 -41.73 66.23 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.272 -0.892 . . . . 0.0 110.212 179.949 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.428 ' O ' ' CB ' ' A' ' 19' ' ' LEU . 0.1 OUTLIER -63.2 -48.74 77.06 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.32 -0.863 . . . . 0.0 110.216 179.957 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.7 m -61.7 -40.14 93.98 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.204 -0.935 . . . . 0.0 110.228 179.958 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -66.86 -55.35 15.13 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.259 -0.901 . . . . 0.0 110.216 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.19 -50.59 65.31 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.231 -0.918 . . . . 0.0 110.253 179.953 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.428 ' CB ' ' O ' ' A' ' 15' ' ' PHE . 46.3 tp -54.62 -32.12 58.36 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.172 -0.955 . . . . 0.0 110.221 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -86.2 0.23 87.24 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.19 -60.5 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.085 -1.244 . . . . 0.0 110.202 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.365 0 O-C-N 119.852 -1.78 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 N--CA 1.493 1.689 0 CA-C-O 121.281 0.562 . . . . 0.0 110.188 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -170.43 -70.63 0.04 OUTLIER Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.507 -1.437 . . . . 0.0 109.507 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.56 58.44 4.34 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.249 -1.148 . . . . 0.0 110.226 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 5' ' ' SER . 0.9 OUTLIER -102.49 1.98 35.79 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.262 -0.899 . . . . 0.0 110.179 -179.953 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 4' ' ' LEU . 61.1 m -43.25 -68.25 0.21 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.216 -0.927 . . . . 0.0 110.179 -179.959 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.434 ' O ' HD11 ' A' ' 10' ' ' LEU . 2.3 p -43.78 -61.64 1.36 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.246 -0.908 . . . . 0.0 110.172 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -45.62 -63.9 0.85 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.237 -0.915 . . . . 0.0 110.207 -179.944 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -45.16 -57.18 4.1 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.264 -0.897 . . . . 0.0 110.2 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.54 -48.23 63.1 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.265 -0.897 . . . . 0.0 110.254 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.484 ' N ' HD12 ' A' ' 10' ' ' LEU . 8.2 mp -56.98 -52.55 64.79 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.243 -0.91 . . . . 0.0 110.231 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.6 -53.06 62.03 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.258 -0.901 . . . . 0.0 110.219 179.956 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -53.78 -50.57 65.78 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.238 -0.914 . . . . 0.0 110.186 -179.95 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.436 ' O ' ' HB2' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -57.4 -53.36 58.98 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.225 -0.922 . . . . 0.0 110.202 -179.953 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 59.4 m -53.43 -51.76 61.61 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.235 -0.916 . . . . 0.0 110.226 -179.963 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -57.23 -57.11 14.07 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.318 -0.864 . . . . 0.0 110.193 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 64.2 p -53.42 -48.62 68.58 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.155 -0.965 . . . . 0.0 110.138 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.436 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -55.94 -56.29 22.45 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.207 -0.933 . . . . 0.0 110.211 179.954 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.99 -64.53 0.92 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.28 -0.887 . . . . 0.0 110.181 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.72 -16.38 6.31 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.279 -0.888 . . . . 0.0 110.258 -179.964 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.402 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -100.22 0.28 55.95 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.658 -1.377 . . . . 0.0 109.658 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 20' ' ' GLY . 7.7 mtpt 53.82 62.44 2.61 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.038 -1.272 . . . . 0.0 110.184 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.377 0 O-C-N 119.923 -1.735 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.257 0.551 . . . . 0.0 110.223 . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -97.01 148.96 19.17 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 179.925 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.428 ' O ' ' HB2' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -124.39 -52.5 1.72 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.272 -1.134 . . . . 0.0 110.182 179.993 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 8' ' ' PHE . 0.2 OUTLIER 178.03 157.82 0.43 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.251 -0.906 . . . . 0.0 110.184 179.991 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 4' ' ' LEU . 12.2 t -42.9 -64.46 0.62 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.242 -0.911 . . . . 0.0 110.252 179.918 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.26 -56.25 20.19 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.303 -0.873 . . . . 0.0 110.256 179.967 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -56.34 -59.18 5.33 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.257 -0.902 . . . . 0.0 110.166 179.948 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.48 ' N ' ' O ' ' A' ' 4' ' ' LEU . 4.7 t80 -46.37 -59.18 3.1 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.26 -0.9 . . . . 0.0 110.182 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.85 -43.85 66.36 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.23 -0.919 . . . . 0.0 110.124 179.964 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.446 HD23 ' O ' ' A' ' 10' ' ' LEU . 1.7 tt -57.5 -53.48 57.62 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.285 -0.884 . . . . 0.0 110.207 179.988 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.96 -46.07 88.95 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.126 -0.984 . . . . 0.0 110.144 179.998 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 36.6 t30 -57.56 -58.24 9.18 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.3 -0.875 . . . . 0.0 110.125 179.999 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.33 -52.6 62.96 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.242 -0.912 . . . . 0.0 110.156 -179.951 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.434 ' HB2' ' O ' ' A' ' 10' ' ' LEU . 0.6 OUTLIER -52.25 -45.38 65.35 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.284 -0.885 . . . . 0.0 110.209 179.939 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.443 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 2.4 m-85 -63.13 -52.32 63.0 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.312 -0.868 . . . . 0.0 110.163 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -57.4 -49.89 74.74 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.246 -0.909 . . . . 0.0 110.152 -179.982 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -60.83 -42.23 97.33 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.263 -0.898 . . . . 0.0 110.261 179.942 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.51 -45.16 94.26 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.279 -0.888 . . . . 0.0 110.22 179.937 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 15' ' ' PHE . 38.3 mt -52.7 -55.46 22.47 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.235 -0.915 . . . . 0.0 110.144 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 125.54 0.16 7.93 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 -179.951 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -85.53 162.15 19.03 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.994 -1.297 . . . . 0.0 110.129 -179.975 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.33 0 O-C-N 119.82 -1.8 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 42.6 p . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.237 0.541 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -119.1 -114.23 2.54 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 179.906 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.512 ' O ' ' N ' ' A' ' 5' ' ' SER . 0.7 OUTLIER 58.76 36.29 24.75 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.21 -1.171 . . . . 0.0 110.238 -179.965 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.527 ' HA ' ' CB ' ' A' ' 8' ' ' PHE . 0.1 OUTLIER 64.15 -70.58 0.07 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.276 -0.89 . . . . 0.0 110.245 -179.951 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.512 ' N ' ' O ' ' A' ' 3' ' ' SER . 0.9 OUTLIER 54.38 165.77 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.35 -0.843 . . . . 0.0 110.39 179.921 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.522 ' O ' ' CB ' ' A' ' 10' ' ' LEU . 24.0 m -50.73 -33.71 24.09 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.213 -0.929 . . . . 0.0 109.945 179.964 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -56.89 -60.06 4.12 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.323 -0.861 . . . . 0.0 109.998 179.889 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.527 ' CB ' ' HA ' ' A' ' 4' ' ' LEU . 13.1 t80 -64.58 -47.44 78.67 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.215 -0.928 . . . . 0.0 109.945 179.838 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.524 ' HG3' ' CD2' ' A' ' 4' ' ' LEU . 5.9 mtt180 -60.61 -41.29 94.5 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.333 -0.855 . . . . 0.0 110.066 179.866 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.522 ' CB ' ' O ' ' A' ' 6' ' ' THR . 4.8 tp -66.57 -50.02 64.5 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.193 -0.942 . . . . 0.0 110.186 179.889 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -59.95 -40.87 90.47 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.258 -0.901 . . . . 0.0 110.123 179.97 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.469 ' OD1' ' CE1' ' A' ' 8' ' ' PHE . 1.4 m120 -67.98 -51.71 44.21 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.184 -0.947 . . . . 0.0 110.18 179.997 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -59.12 -50.99 71.95 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.274 -0.891 . . . . 0.0 110.228 179.937 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.456 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -62.22 -46.67 87.82 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.284 -0.885 . . . . 0.0 110.176 179.999 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -60.63 -50.18 74.53 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.241 -0.912 . . . . 0.0 110.211 -179.999 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 50.7 m -60.18 -52.21 66.29 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.272 -0.892 . . . . 0.0 110.184 179.999 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.8 tm0? -62.35 -44.09 97.28 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.188 -0.945 . . . . 0.0 110.217 179.984 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.456 ' HB2' ' O ' ' A' ' 14' ' ' SER . . . -58.7 -51.64 69.08 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.186 -0.946 . . . . 0.0 110.22 -179.947 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.43 -50.84 68.76 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.265 -0.897 . . . . 0.0 110.216 179.973 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.98 0.05 81.52 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 179.962 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.72 20.47 3.0 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.014 -1.286 . . . . 0.0 110.228 -179.925 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.322 0 O-C-N 119.782 -1.824 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.5 p . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.186 0.517 . . . . 0.0 110.197 . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -85.45 172.71 47.18 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 -179.996 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.58 -163.08 1.34 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.215 -1.168 . . . . 0.0 110.122 -179.937 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.478 ' O ' ' N ' ' A' ' 8' ' ' PHE . 0.3 OUTLIER -158.88 162.85 36.97 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.215 -0.928 . . . . 0.0 110.202 -179.964 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.461 ' O ' ' HB2' ' A' ' 9' ' ' ARG . 37.6 t -43.08 -70.59 0.1 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.308 -0.87 . . . . 0.0 110.255 179.986 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.432 ' O ' ' HB2' ' A' ' 10' ' ' LEU . 0.2 OUTLIER -46.81 -61.68 1.74 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.281 -0.887 . . . . 0.0 110.244 179.943 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -53.73 -68.01 0.21 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.294 -0.879 . . . . 0.0 110.171 179.995 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.478 ' N ' ' O ' ' A' ' 4' ' ' LEU . 17.8 t80 -48.63 -59.11 3.78 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.237 -0.914 . . . . 0.0 110.165 -179.973 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.461 ' HB2' ' O ' ' A' ' 5' ' ' SER . 0.0 OUTLIER -52.53 -49.25 65.21 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.266 -0.896 . . . . 0.0 110.247 179.988 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.432 ' HB2' ' O ' ' A' ' 6' ' ' THR . 0.7 OUTLIER -52.82 -52.53 56.64 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.168 -0.958 . . . . 0.0 110.24 179.952 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -59.19 -52.17 66.83 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.284 -0.885 . . . . 0.0 110.176 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -55.86 -54.94 38.44 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.256 -0.902 . . . . 0.0 110.159 -179.979 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.496 ' HD2' ' N ' ' A' ' 14' ' ' SER . 0.7 OUTLIER -54.29 -52.97 59.77 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.206 -0.934 . . . . 0.0 110.192 -179.955 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.496 ' N ' ' HD2' ' A' ' 13' ' ' ARG . 0.4 OUTLIER -54.83 -42.37 71.85 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.356 -0.84 . . . . 0.0 110.215 179.94 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.46 -55.16 26.43 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.201 -0.937 . . . . 0.0 110.214 179.968 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.01 -39.05 92.87 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.25 -0.906 . . . . 0.0 110.217 179.963 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.427 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 7.7 mm-40 -64.76 -47.39 78.32 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.19 -0.944 . . . . 0.0 110.197 179.981 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.35 -55.11 11.37 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.292 -0.88 . . . . 0.0 110.236 179.989 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.42 -18.65 7.28 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.286 -0.884 . . . . 0.0 110.221 -179.97 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.36 0.2 89.22 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.619 -1.392 . . . . 0.0 109.619 179.966 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.469 ' HA ' ' CE ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -76.83 -10.62 59.5 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.999 -1.295 . . . . 0.0 110.196 -179.988 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.294 0 O-C-N 119.824 -1.798 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.209 0.528 . . . . 0.0 110.181 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 92.65 62.5 1.14 Allowed Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 -179.996 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 4' ' ' LEU . 17.0 p -173.13 125.16 0.43 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.181 -1.187 . . . . 0.0 110.186 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.543 ' CA ' ' CB ' ' A' ' 8' ' ' PHE . 35.6 mt 44.02 -146.2 0.09 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.263 -0.898 . . . . 0.0 110.107 179.927 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 m 54.0 -177.67 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.292 -0.88 . . . . 0.0 110.338 -179.994 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -48.38 -49.58 34.15 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.343 -0.848 . . . . 0.0 110.166 179.965 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.42 ' C ' ' O ' ' A' ' 6' ' ' THR . 1.7 m-30 -43.08 -63.59 0.78 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.262 -0.899 . . . . 0.0 110.109 179.945 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.543 ' CB ' ' CA ' ' A' ' 4' ' ' LEU . 30.6 t80 -58.24 -45.87 86.99 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.295 -0.878 . . . . 0.0 109.979 179.892 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.95 -49.35 77.1 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.317 -0.865 . . . . 0.0 110.064 179.872 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.34 -50.95 71.59 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.253 -0.904 . . . . 0.0 110.091 179.897 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.73 -46.71 74.28 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.216 -0.928 . . . . 0.0 109.969 179.826 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -61.19 -51.5 68.76 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.221 -0.925 . . . . 0.0 110.074 179.83 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.4 ttm-85 -54.29 -51.78 63.53 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.288 -0.883 . . . . 0.0 110.142 179.887 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.7 t -58.13 -50.57 73.04 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.257 -0.902 . . . . 0.0 110.081 179.957 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.424 ' O ' ' HB2' ' A' ' 19' ' ' LEU . 2.8 m-85 -54.64 -43.91 72.73 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.289 -0.882 . . . . 0.0 110.21 179.978 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 92.4 m -64.92 -47.37 77.98 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.236 -0.915 . . . . 0.0 110.176 179.898 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.45 -45.52 88.4 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.265 -0.897 . . . . 0.0 110.186 179.976 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.54 -49.63 65.83 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.289 -0.882 . . . . 0.0 110.21 179.945 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.424 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 0.6 OUTLIER -53.62 -43.28 68.57 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.224 -0.923 . . . . 0.0 110.157 -179.973 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.407 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . 80.52 0.14 86.56 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.59 -1.404 . . . . 0.0 109.59 -179.948 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.407 ' CB ' ' O ' ' A' ' 20' ' ' GLY . 0.1 OUTLIER 63.6 55.66 1.69 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.093 -1.24 . . . . 0.0 110.247 -179.953 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.326 0 O-C-N 119.838 -1.789 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.488 1.444 0 CA-C-O 121.287 0.565 . . . . 2.5 110.185 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -51.27 -55.08 20.08 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.176 -0.953 . . . . 2.1499999999999999 110.267 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.4 ttt180 -53.13 -50.93 63.51 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.251 -0.906 . . . . 3.4900000000000002 110.211 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 1.527 ' CD2' ' CB ' ' A' ' 10' ' ' LEU . 0.2 OUTLIER -55.34 -50.45 69.61 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.229 -0.919 . . . . 1.6899999999999999 110.273 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.68 -51.05 71.13 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.134 -0.979 . . . . 2.1699999999999999 110.228 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 1.434 ' OD1' ' CB ' ' A' ' 12' ' ' ASN . 9.6 t30 -58.32 -51.62 69.03 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.169 -0.957 . . . . 1.76 110.23 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 1.343 ' CD ' ' CB ' ' A' ' 13' ' ' ARG . 2.5 ttt180 -57.09 -50.65 72.11 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.166 -0.959 . . . . 3.3999999999999999 110.233 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . 1.131 ' OG ' ' HB2' ' A' ' 14' ' ' SER . 3.4 t -57.94 -47.77 81.91 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.188 -0.945 . . . . 1.27 110.224 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -60.35 -50.56 73.11 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.171 -0.956 . . . . 2.1200000000000001 110.238 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.71 -47.82 84.13 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.136 -0.977 . . . . 1.1100000000000001 110.251 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 1.305 ' CD ' ' CB ' ' A' ' 17' ' ' GLN . 6.2 tt0 . . . . . 0 C--N 1.297 -1.685 0 O-C-N 121.093 -1.004 . . . . 2.27 110.252 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 121.246 0.545 . . . . 0.0 110.181 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -52.04 -51.62 56.32 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.203 -0.936 . . . . 0.0 110.213 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -50.44 73.87 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.254 -0.904 . . . . 0.0 110.162 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.1 tp -53.43 -49.07 68.11 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.208 -0.932 . . . . 0.0 110.233 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.7 m-30 -63.02 -47.64 82.19 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.255 -0.903 . . . . 0.0 110.243 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -61.42 -47.71 84.52 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.254 -0.904 . . . . 0.0 110.213 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.52 -51.76 67.3 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.285 -0.884 . . . . 0.0 110.2 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 28.5 t -58.12 -44.99 88.03 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.234 -0.916 . . . . 0.0 110.226 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -64.79 -55.43 19.77 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.292 -0.88 . . . . 0.0 110.257 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.7 m -57.26 -52.29 65.91 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.241 -0.912 . . . . 0.0 110.23 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 N--CA 1.491 1.607 0 O-C-N 121.233 -0.917 . . . . 0.0 110.203 -179.98 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.1 t80 . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 121.188 0.518 . . . . 0.0 109.998 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -63.03 -45.72 90.96 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.224 -0.923 . . . . 0.0 109.898 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.445 ' O ' ' HB2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -58.91 -46.33 88.17 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.219 -0.926 . . . . 0.0 109.901 179.724 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 tp -63.63 -46.44 85.7 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.285 -0.884 . . . . 0.0 109.957 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.462 ' O ' ' HB2' ' A' ' 15' ' ' PHE . 0.2 OUTLIER -57.19 -49.53 75.7 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.309 -0.869 . . . . 0.0 110.102 179.793 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -63.33 -56.34 17.21 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.273 -0.892 . . . . 0.0 110.069 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.445 ' HB2' ' O ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -56.3 -46.69 79.7 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.303 -0.873 . . . . 0.0 110.081 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.478 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 97.5 p -59.29 -47.31 85.86 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.278 -0.888 . . . . 0.0 110.142 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.462 ' HB2' ' O ' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -60.41 -46.75 88.88 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.268 -0.895 . . . . 0.0 110.173 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.3 m -61.45 -57.76 10.91 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.245 -0.909 . . . . 0.0 110.188 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.478 ' HG2' ' O ' ' A' ' 14' ' ' SER . 12.9 pt20 . . . . . 0 N--CA 1.491 1.587 0 O-C-N 121.19 -0.944 . . . . 0.0 110.191 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 121.231 0.538 . . . . 0.0 110.191 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -46.44 -56.34 6.08 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.271 -0.893 . . . . 0.0 110.173 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.33 -55.32 19.05 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.231 -0.918 . . . . 0.0 110.18 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.452 ' HA ' HD13 ' A' ' 10' ' ' LEU . 0.4 OUTLIER -50.59 -53.78 27.9 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.29 -0.881 . . . . 0.0 110.131 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -53.83 -54.1 43.24 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.247 -0.908 . . . . 0.0 110.17 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 30.3 t30 -57.73 -41.91 82.8 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.258 -0.901 . . . . 0.0 110.23 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.9 -52.71 64.25 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.231 -0.918 . . . . 0.0 110.202 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.43 -46.82 88.64 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.191 -0.943 . . . . 0.0 110.13 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -59.8 -51.07 71.32 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.256 -0.903 . . . . 0.0 110.259 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.0 m -59.79 -53.49 57.31 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.315 -0.866 . . . . 0.0 110.25 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.624 0 O-C-N 121.294 -0.879 . . . . 0.0 110.198 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 121.219 0.533 . . . . 0.0 110.147 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -54.63 -59.5 4.63 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.248 -0.907 . . . . 0.0 110.104 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.26 -49.94 63.06 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.217 -0.927 . . . . 0.0 110.036 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.409 ' O ' ' CB ' ' A' ' 14' ' ' SER . 1.3 tt -56.32 -45.47 80.29 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.22 -0.925 . . . . 0.0 110.045 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.455 ' O ' ' HB2' ' A' ' 15' ' ' PHE . 7.0 t80 -60.73 -49.65 76.65 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.294 -0.879 . . . . 0.0 110.107 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -59.54 -58.29 9.23 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.304 -0.873 . . . . 0.0 110.14 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 21.6 ttp180 -58.45 -46.36 86.71 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.234 -0.916 . . . . 0.0 110.152 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.453 ' HG ' ' C ' ' A' ' 11' ' ' PHE . 88.0 p -56.93 -49.88 74.3 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.233 -0.917 . . . . 0.0 110.056 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.455 ' HB2' ' O ' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -60.64 -51.17 70.54 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.239 -0.913 . . . . 0.0 110.107 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 51.9 m -56.77 -48.0 78.85 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.158 -0.964 . . . . 0.0 110.073 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 . . . . . 0 N--CA 1.49 1.547 0 O-C-N 121.252 -0.905 . . . . 0.0 110.226 179.966 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.243 0.544 . . . . 0.0 110.214 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -55.97 -56.14 24.35 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.217 -0.927 . . . . 0.0 110.1 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -50.03 -52.86 30.9 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.236 -0.915 . . . . 0.0 110.147 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.4 tp -58.06 -48.66 79.45 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.246 -0.909 . . . . 0.0 110.121 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.431 ' O ' ' HB2' ' A' ' 15' ' ' PHE . 1.8 m-85 -53.68 -49.87 67.08 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.188 -0.945 . . . . 0.0 110.172 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -62.01 -53.09 60.38 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.235 -0.915 . . . . 0.0 110.121 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.401 ' O ' ' OG1' ' A' ' 16' ' ' THR . 1.0 OUTLIER -55.2 -58.88 5.89 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.307 -0.871 . . . . 0.0 110.23 179.874 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.7 t -53.16 -46.6 68.95 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.219 -0.926 . . . . 0.0 110.097 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.431 ' HB2' ' O ' ' A' ' 11' ' ' PHE . 1.6 m-85 -55.63 -53.34 57.71 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.203 -0.936 . . . . 0.0 110.189 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 13' ' ' ARG . 2.1 p -59.43 -39.99 85.32 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.249 -0.907 . . . . 0.0 110.215 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.188 -0.945 . . . . 0.0 110.27 179.887 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.493 1.703 0 CA-C-O 121.223 0.535 . . . . 0.0 110.2 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -55.27 -56.9 14.73 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.2 -0.938 . . . . 0.0 110.2 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.46 -54.0 43.3 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.27 -0.894 . . . . 0.0 110.208 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.8 tt -51.57 -50.02 60.92 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.241 -0.912 . . . . 0.0 110.205 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.1 -56.2 25.11 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.296 -0.877 . . . . 0.0 110.234 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.634 ' O ' HG23 ' A' ' 16' ' ' THR . 0.2 OUTLIER -50.44 -49.9 53.64 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.223 -0.923 . . . . 0.0 110.208 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.409 ' O ' ' HB2' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -58.6 -52.32 66.17 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.253 -0.904 . . . . 0.0 110.143 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.4 p -61.39 -45.16 95.52 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.334 -0.854 . . . . 0.0 110.272 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -58.01 -47.73 82.15 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.237 -0.914 . . . . 0.0 110.247 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.634 HG23 ' O ' ' A' ' 12' ' ' ASN . 72.3 p -66.49 -57.88 6.41 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.273 -0.892 . . . . 0.0 110.217 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.409 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.645 0 O-C-N 121.274 -0.891 . . . . 0.0 110.24 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 121.266 0.555 . . . . 0.0 110.175 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -46.41 -53.18 11.53 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.202 -0.936 . . . . 0.0 110.155 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.8 -56.12 15.8 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.151 -0.968 . . . . 0.0 110.191 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 10' ' ' LEU . 8.6 mt -53.07 -45.06 67.97 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.281 -0.887 . . . . 0.0 110.215 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -59.52 -57.55 12.46 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.189 -0.944 . . . . 0.0 110.248 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -56.89 -51.4 69.23 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.241 -0.912 . . . . 0.0 110.204 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.468 ' O ' ' HB2' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -55.44 -55.46 31.46 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.28 -0.887 . . . . 0.0 110.19 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.432 ' HB2' ' O ' ' A' ' 10' ' ' LEU . 0.9 OUTLIER -53.51 -49.24 67.98 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.28 -0.888 . . . . 0.0 110.201 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -66.51 -49.82 65.28 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.279 -0.888 . . . . 0.0 110.211 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 49.3 m -57.49 -52.75 64.13 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.154 -0.966 . . . . 0.0 110.128 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.468 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.655 0 O-C-N 121.216 -0.928 . . . . 0.0 110.196 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.273 0.559 . . . . 0.0 110.193 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -49.63 -60.69 2.64 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.24 -0.912 . . . . 0.0 110.161 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 43.6 ttt180 -52.92 -48.55 67.18 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.258 -0.901 . . . . 0.0 110.237 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 tt -52.13 -54.33 31.91 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.235 -0.916 . . . . 0.0 110.125 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.446 ' O ' ' HB2' ' A' ' 15' ' ' PHE . 0.3 OUTLIER -59.0 -51.37 70.36 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.244 -0.91 . . . . 0.0 110.195 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -53.61 -50.55 65.44 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.215 -0.928 . . . . 0.0 110.208 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.9 mmt-85 -60.3 -56.05 26.27 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.244 -0.91 . . . . 0.0 110.232 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.5 p -55.47 -43.21 75.29 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.288 -0.882 . . . . 0.0 110.231 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.446 ' HB2' ' O ' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -62.44 -45.74 91.72 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.325 -0.86 . . . . 0.0 110.204 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 32.6 m -63.97 -42.09 97.36 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.182 -0.949 . . . . 0.0 110.17 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 . . . . . 0 N--CA 1.49 1.573 0 O-C-N 121.24 -0.913 . . . . 0.0 110.262 179.945 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.244 0.545 . . . . 0.0 110.17 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -53.64 -66.53 0.38 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.236 -0.915 . . . . 0.0 110.221 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.536 ' HD2' ' NH2' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -46.71 -43.98 18.35 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.24 -0.912 . . . . 0.0 110.224 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.4 mt -57.85 -58.39 8.58 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.35 -0.844 . . . . 0.0 110.277 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -56.58 -46.11 80.98 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.264 -0.898 . . . . 0.0 110.123 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -58.63 -57.83 11.25 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.31 -0.869 . . . . 0.0 110.25 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.536 ' NH2' ' HD2' ' A' ' 9' ' ' ARG . 0.9 OUTLIER -54.25 -53.14 57.63 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.172 -0.955 . . . . 0.0 110.146 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.2 m -52.18 -52.68 50.56 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.328 -0.858 . . . . 0.0 110.216 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -67.04 -50.44 61.95 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.278 -0.889 . . . . 0.0 110.218 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.9 m -48.67 -59.28 3.66 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.245 -0.909 . . . . 0.0 110.254 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 N--CA 1.492 1.657 0 O-C-N 121.172 -0.955 . . . . 0.0 110.14 -179.99 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 121.271 0.557 . . . . 0.0 110.114 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -60.14 -43.57 95.62 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.232 -0.918 . . . . 0.0 109.838 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.2 ttm-85 -56.12 -48.43 76.22 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.313 -0.867 . . . . 0.0 109.978 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.45 -47.96 77.06 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.248 -0.908 . . . . 0.0 110.008 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.408 ' O ' ' HB2' ' A' ' 15' ' ' PHE . 0.5 OUTLIER -53.31 -47.69 69.05 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.262 -0.899 . . . . 0.0 110.037 179.856 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -66.95 -56.54 9.74 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.272 -0.892 . . . . 0.0 110.105 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.57 -40.37 71.89 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.202 -0.936 . . . . 0.0 110.053 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 28.9 t -66.46 -49.75 65.64 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.252 -0.905 . . . . 0.0 110.145 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.408 ' HB2' ' O ' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -58.18 -50.03 74.96 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.256 -0.902 . . . . 0.0 110.153 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.6 p -63.97 -45.11 90.58 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.158 -0.964 . . . . 0.0 110.219 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 43.3 tp60 . . . . . 0 N--CA 1.491 1.604 0 O-C-N 121.237 -0.915 . . . . 0.0 110.182 179.968 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.264 0.554 . . . . 0.0 110.168 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -53.98 -49.94 67.67 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.24 -0.912 . . . . 0.0 110.173 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.26 -54.33 44.76 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.239 -0.913 . . . . 0.0 110.177 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.495 ' HA ' HD22 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -55.85 -50.32 70.9 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.26 -0.9 . . . . 0.0 110.179 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -54.3 -49.53 69.43 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.232 -0.917 . . . . 0.0 110.221 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 34.4 t30 -59.84 -51.52 69.39 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.194 -0.941 . . . . 0.0 110.25 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.48 ' O ' ' HD3' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -53.96 -54.36 39.99 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.264 -0.898 . . . . 0.0 110.162 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.39 -44.72 84.73 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.269 -0.895 . . . . 0.0 110.129 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.5 -51.49 69.26 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.221 -0.924 . . . . 0.0 110.185 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 37.7 m -60.81 -48.57 81.19 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.294 -0.879 . . . . 0.0 110.155 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.647 0 O-C-N 121.3 -0.875 . . . . 0.0 110.213 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 121.248 0.547 . . . . 0.0 110.214 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -48.7 -57.84 5.67 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.266 -0.896 . . . . 0.0 110.155 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.83 -53.31 33.24 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.239 -0.913 . . . . 0.0 110.193 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -51.97 -56.61 13.14 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.287 -0.883 . . . . 0.0 110.194 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -53.8 -49.56 68.05 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.272 -0.892 . . . . 0.0 110.204 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -58.36 -46.1 86.95 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.257 -0.902 . . . . 0.0 110.202 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.432 ' CA ' ' NE ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -59.81 -49.99 75.55 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.298 -0.876 . . . . 0.0 110.178 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.55 -50.04 75.43 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.247 -0.908 . . . . 0.0 110.195 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.8 -45.44 86.07 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.22 -0.925 . . . . 0.0 110.185 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.1 m -65.62 -55.05 19.66 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.279 -0.888 . . . . 0.0 110.166 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 . . . . . 0 N--CA 1.491 1.598 0 O-C-N 121.267 -0.896 . . . . 0.0 110.216 -179.998 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 121.285 0.564 . . . . 0.0 110.228 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -51.68 -55.07 21.64 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.173 -0.955 . . . . 0.0 110.177 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 -49.94 -55.29 15.08 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.287 -0.883 . . . . 0.0 110.229 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.446 ' HA ' HD12 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -55.2 -44.94 75.81 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.239 -0.913 . . . . 0.0 110.236 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -58.15 -56.61 19.88 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.286 -0.884 . . . . 0.0 110.123 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -56.47 -53.8 53.17 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.193 -0.942 . . . . 0.0 110.2 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 -56.58 -47.23 79.99 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.229 -0.919 . . . . 0.0 110.1 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.5 t -56.75 -53.29 59.45 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.213 -0.93 . . . . 0.0 110.153 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -57.16 -50.37 73.04 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.251 -0.905 . . . . 0.0 110.176 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 53.2 m -57.23 -44.93 84.23 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.33 -0.857 . . . . 0.0 110.17 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.491 1.602 0 O-C-N 121.29 -0.882 . . . . 0.0 110.201 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 121.236 0.541 . . . . 0.0 110.241 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.676 ' CE1' ' ND2' ' A' ' 12' ' ' ASN . 49.1 t80 -60.5 -54.58 43.79 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.284 -0.885 . . . . 0.0 110.178 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.8 tpp180 -56.25 -46.5 79.58 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.241 -0.912 . . . . 0.0 110.225 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.96 -46.62 88.84 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.255 -0.903 . . . . 0.0 110.21 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -61.36 -52.12 65.96 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.282 -0.886 . . . . 0.0 110.238 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.676 ' ND2' ' CE1' ' A' ' 8' ' ' PHE . 34.0 m-20 -60.67 -42.17 96.54 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.249 -0.907 . . . . 0.0 110.214 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.17 -55.33 22.56 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.237 -0.915 . . . . 0.0 110.172 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 92.9 p -56.97 -46.65 82.05 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.254 -0.904 . . . . 0.0 110.184 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -61.66 -50.55 72.05 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.234 -0.916 . . . . 0.0 110.199 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.5 m -57.41 -55.98 27.82 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.29 -0.881 . . . . 0.0 110.189 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 . . . . . 0 N--CA 1.492 1.625 0 O-C-N 121.29 -0.882 . . . . 0.0 110.198 -179.993 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.3 t80 . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.189 0.518 . . . . 0.0 109.967 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -62.12 -43.51 98.68 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.255 -0.903 . . . . 0.0 109.87 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -59.44 -47.89 83.73 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.217 -0.927 . . . . 0.0 109.962 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.8 tp -63.16 -47.31 83.22 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.215 -0.928 . . . . 0.0 109.989 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -56.72 -46.54 81.23 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.273 -0.892 . . . . 0.0 109.971 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -63.91 -52.41 60.01 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.276 -0.89 . . . . 0.0 110.072 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.35 -49.01 68.03 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.298 -0.876 . . . . 0.0 110.018 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 37.1 t -61.22 -52.0 66.62 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.319 -0.863 . . . . 0.0 110.098 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -55.11 -43.01 73.66 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.218 -0.926 . . . . 0.0 110.012 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.9 m -64.24 -50.47 67.87 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.267 -0.895 . . . . 0.0 110.152 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 . . . . . 0 N--CA 1.491 1.601 0 O-C-N 121.281 -0.887 . . . . 0.0 110.206 179.978 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 121.206 0.527 . . . . 0.0 110.069 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -58.64 -45.21 89.77 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.282 -0.886 . . . . 0.0 110.084 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.08 -48.26 80.68 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.301 -0.874 . . . . 0.0 110.164 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.4 tp -62.45 -50.93 69.5 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.297 -0.877 . . . . 0.0 110.122 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -55.22 -43.54 74.57 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.301 -0.874 . . . . 0.0 110.064 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.95 -48.95 69.61 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.317 -0.864 . . . . 0.0 110.167 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.6 ttt-85 -56.85 -53.65 55.49 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.275 -0.891 . . . . 0.0 110.201 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 91.2 p -62.39 -47.12 85.53 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.271 -0.893 . . . . 0.0 110.19 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -59.77 -44.36 93.91 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.239 -0.913 . . . . 0.0 110.207 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.9 m -65.62 -46.65 78.47 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.275 -0.891 . . . . 0.0 110.197 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 . . . . . 0 N--CA 1.491 1.598 0 O-C-N 121.306 -0.871 . . . . 0.0 110.179 -179.966 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.248 0.547 . . . . 0.0 110.212 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -45.98 -55.46 6.8 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.244 -0.91 . . . . 0.0 110.269 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -53.26 -58.71 6.13 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.23 -0.919 . . . . 0.0 110.174 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 mp -50.41 -44.98 55.3 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.281 -0.887 . . . . 0.0 110.167 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -60.9 -53.39 57.89 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.214 -0.929 . . . . 0.0 110.218 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.437 ' O ' ' OG1' ' A' ' 16' ' ' THR . 48.9 t-20 -55.14 -52.73 62.37 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.281 -0.887 . . . . 0.0 110.169 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.404 ' HD2' ' N ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -58.43 -57.56 12.38 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.32 -0.862 . . . . 0.0 110.223 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.404 ' N ' ' HD2' ' A' ' 13' ' ' ARG . 16.5 m -52.45 -47.22 66.55 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.222 -0.924 . . . . 0.0 110.171 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.487 ' CD1' ' C ' ' A' ' 15' ' ' PHE . 7.5 t80 -58.49 -55.87 29.49 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.299 -0.876 . . . . 0.0 110.188 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' A' ' 12' ' ' ASN . 0.7 OUTLIER -52.99 -51.92 60.01 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.28 -0.888 . . . . 0.0 110.243 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.585 0 O-C-N 121.282 -0.886 . . . . 0.0 110.292 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.233 0.54 . . . . 0.0 110.183 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -49.04 -52.51 24.91 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.247 -0.908 . . . . 0.0 110.165 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.4 mmt180 -56.37 -54.01 50.61 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.287 -0.883 . . . . 0.0 110.137 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -51.28 -47.03 62.62 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.283 -0.886 . . . . 0.0 110.183 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -61.63 -50.58 71.98 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.247 -0.908 . . . . 0.0 110.146 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.418 ' O ' ' OG1' ' A' ' 16' ' ' THR . 21.4 m120 -60.31 -53.77 53.69 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.247 -0.908 . . . . 0.0 110.175 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.59 -54.62 41.79 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.232 -0.918 . . . . 0.0 110.147 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 18.8 p -56.2 -40.52 74.14 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.251 -0.906 . . . . 0.0 110.147 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -62.72 -51.7 66.13 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.273 -0.892 . . . . 0.0 110.198 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' A' ' 12' ' ' ASN . 0.2 OUTLIER -64.42 -46.14 84.52 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.16 -0.962 . . . . 0.0 110.228 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 . . . . . 0 N--CA 1.491 1.596 0 O-C-N 121.246 -0.909 . . . . 0.0 110.191 179.951 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.229 0.538 . . . . 0.0 110.231 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.22 -53.93 46.89 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.322 -0.861 . . . . 0.0 110.224 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -55.1 -48.51 73.49 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.281 -0.887 . . . . 0.0 110.209 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.0 tp -56.76 -51.55 68.45 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.309 -0.869 . . . . 0.0 110.191 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.49 -52.39 65.59 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.269 -0.895 . . . . 0.0 110.245 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -55.06 -45.82 75.35 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.194 -0.941 . . . . 0.0 110.235 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.3 mmt180 -63.92 -50.57 68.16 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.253 -0.904 . . . . 0.0 110.224 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.1 t -55.21 -47.31 75.47 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.176 -0.953 . . . . 0.0 110.199 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.38 -54.53 27.47 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.213 -0.929 . . . . 0.0 110.218 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.8 m -51.17 -42.44 60.84 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.225 -0.922 . . . . 0.0 110.21 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 . . . . . 0 N--CA 1.491 1.603 0 O-C-N 121.269 -0.895 . . . . 0.0 110.188 179.974 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 8.4 t80 . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.269 0.557 . . . . 0.0 110.195 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.57 -50.35 63.14 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.265 -0.897 . . . . 0.0 110.202 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.5 mmt-85 -57.9 -49.16 77.68 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.277 -0.889 . . . . 0.0 110.201 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.42 -52.25 65.35 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.269 -0.895 . . . . 0.0 110.192 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.79 -47.3 85.23 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.214 -0.929 . . . . 0.0 110.226 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -60.02 -50.55 73.27 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.298 -0.876 . . . . 0.0 110.211 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -58.02 -51.41 69.8 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.2 -0.938 . . . . 0.0 110.186 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.1 m -57.38 -46.01 83.87 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.258 -0.901 . . . . 0.0 110.202 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -61.16 -54.93 38.26 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.137 -0.977 . . . . 0.0 110.185 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 38.1 m -56.32 -38.63 71.57 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.244 -0.91 . . . . 0.0 110.212 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 . . . . . 0 N--CA 1.491 1.608 0 O-C-N 121.276 -0.89 . . . . 0.0 110.184 -179.956 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.187 0.518 . . . . 0.0 110.084 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.508 ' O ' ' ND2' ' A' ' 12' ' ' ASN . 2.6 t80 -58.49 -47.22 84.82 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.26 -0.9 . . . . 0.0 110.028 179.879 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.453 ' O ' ' HD3' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -57.02 -46.81 82.09 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.233 -0.917 . . . . 0.0 110.09 179.862 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.462 ' O ' ' HB3' ' A' ' 14' ' ' SER . 0.1 OUTLIER -62.93 -45.33 92.98 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.333 -0.855 . . . . 0.0 110.066 179.883 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.452 ' O ' ' HB2' ' A' ' 15' ' ' PHE . 0.9 OUTLIER -58.68 -50.17 74.87 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.287 -0.883 . . . . 0.0 110.111 179.918 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.508 ' ND2' ' O ' ' A' ' 8' ' ' PHE . 40.1 m-80 -63.05 -55.93 21.28 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.231 -0.918 . . . . 0.0 110.132 179.935 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.453 ' HD3' ' O ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -55.04 -49.22 72.11 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.219 -0.926 . . . . 0.0 110.162 179.954 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.462 ' HB3' ' O ' ' A' ' 10' ' ' LEU . 3.7 t -58.54 -47.54 83.85 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.303 -0.873 . . . . 0.0 110.166 179.903 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.452 ' HB2' ' O ' ' A' ' 11' ' ' PHE . 0.1 OUTLIER -57.9 -50.36 73.59 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.176 -0.952 . . . . 0.0 110.154 179.917 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.3 m -59.67 -44.49 93.58 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.322 -0.862 . . . . 0.0 110.151 179.949 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 . . . . . 0 N--CA 1.491 1.608 0 O-C-N 121.257 -0.902 . . . . 0.0 110.187 -179.976 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 20.0 t80 . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 121.237 0.541 . . . . 0.0 110.188 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -55.69 -46.73 77.56 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.212 -0.93 . . . . 0.0 110.217 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.0 ttt85 -56.33 -52.46 64.48 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.256 -0.902 . . . . 0.0 110.168 -179.953 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.85 -48.55 80.96 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.281 -0.887 . . . . 0.0 110.231 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -55.89 -47.92 76.55 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.251 -0.906 . . . . 0.0 110.269 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -63.22 -56.77 13.81 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.217 -0.927 . . . . 0.0 110.206 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.91 -46.63 52.12 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.229 -0.919 . . . . 0.0 110.295 179.959 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 t -63.56 -50.87 67.8 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.249 -0.907 . . . . 0.0 110.262 179.879 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.15 -47.8 82.94 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.249 -0.907 . . . . 0.0 110.239 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.8 m -62.85 -43.18 99.47 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.269 -0.894 . . . . 0.0 110.27 179.899 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 . . . . . 0 N--CA 1.491 1.595 0 O-C-N 121.259 -0.901 . . . . 0.0 110.188 179.967 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.24 0.543 . . . . 0.0 110.251 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -48.1 -51.41 24.67 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.3 -0.875 . . . . 0.0 110.15 179.946 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.73 -52.23 50.12 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.24 -0.912 . . . . 0.0 110.108 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.42 -44.32 89.02 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.204 -0.935 . . . . 0.0 110.23 179.878 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.551 ' CZ ' ' CE1' ' A' ' 15' ' ' PHE . 60.8 t80 -58.36 -54.87 42.13 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.24 -0.913 . . . . 0.0 110.225 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -58.09 -49.09 78.13 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.308 -0.87 . . . . 0.0 110.184 179.923 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.29 -53.33 55.17 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.232 -0.917 . . . . 0.0 110.19 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.33 -42.83 92.38 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.258 -0.902 . . . . 0.0 110.132 179.942 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.551 ' CE1' ' CZ ' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -58.44 -51.8 68.29 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.321 -0.862 . . . . 0.0 110.237 179.952 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.4 p -62.78 -43.85 97.73 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.248 -0.907 . . . . 0.0 110.218 179.95 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.655 0 O-C-N 121.295 -0.878 . . . . 0.0 110.181 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.9 t80 . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 121.258 0.551 . . . . 0.0 110.173 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -44.94 -54.64 6.28 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.251 -0.906 . . . . 0.0 110.214 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.85 -57.29 10.72 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.191 -0.943 . . . . 0.0 110.189 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 mp -51.48 -49.48 61.71 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.219 -0.925 . . . . 0.0 110.188 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.98 -46.43 89.48 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.274 -0.891 . . . . 0.0 110.193 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -57.99 -53.56 56.81 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.248 -0.907 . . . . 0.0 110.207 180.0 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.53 -48.08 82.02 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.15 -0.969 . . . . 0.0 110.146 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 88.3 p -57.71 -43.92 85.57 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.228 -0.92 . . . . 0.0 110.18 -179.956 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -64.73 -52.2 58.34 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.274 -0.891 . . . . 0.0 110.228 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.8 m -63.59 -46.44 85.79 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.242 -0.911 . . . . 0.0 110.242 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.642 0 O-C-N 121.322 -0.861 . . . . 0.0 110.168 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.195 0.522 . . . . 0.0 110.128 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -60.55 -69.4 0.23 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.257 -0.902 . . . . 0.0 110.189 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.512 ' HG3' ' N ' ' A' ' 10' ' ' LEU . 9.4 ptm180 -46.33 -36.78 6.65 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.221 -0.924 . . . . 0.0 110.192 179.942 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.512 ' N ' ' HG3' ' A' ' 9' ' ' ARG . 0.8 OUTLIER -64.1 -57.19 10.33 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.197 -0.94 . . . . 0.0 110.121 179.957 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -57.21 -47.44 81.3 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.268 -0.895 . . . . 0.0 110.132 179.923 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.431 ' O ' HG23 ' A' ' 16' ' ' THR . 19.5 t-20 -58.28 -54.63 44.79 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.301 -0.875 . . . . 0.0 110.091 179.926 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.448 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -54.53 -50.88 66.82 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.256 -0.903 . . . . 0.0 110.136 179.966 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.8 m -56.99 -42.91 81.12 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.307 -0.87 . . . . 0.0 110.123 179.911 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -62.32 -49.64 74.81 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.275 -0.891 . . . . 0.0 110.126 179.947 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.431 HG23 ' O ' ' A' ' 12' ' ' ASN . 66.6 p -60.35 -43.31 96.62 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.226 -0.921 . . . . 0.0 110.173 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.448 ' HG2' ' O ' ' A' ' 13' ' ' ARG . 50.1 mm-40 . . . . . 0 N--CA 1.492 1.669 0 O-C-N 121.301 -0.874 . . . . 0.0 110.168 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.493 1.685 0 CA-C-O 121.282 0.563 . . . . 0.0 110.212 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -52.35 -57.06 10.98 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.268 -0.895 . . . . 0.0 110.254 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.87 -46.08 74.68 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.214 -0.929 . . . . 0.0 110.22 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.3 tp -55.91 -54.79 40.36 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.248 -0.908 . . . . 0.0 110.195 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -57.96 -53.18 61.15 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.272 -0.893 . . . . 0.0 110.226 179.944 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 -53.67 -53.62 49.41 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.245 -0.91 . . . . 0.0 110.178 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -55.39 -47.55 75.69 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.207 -0.933 . . . . 0.0 110.145 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.6 t -57.02 -51.09 70.65 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.258 -0.901 . . . . 0.0 110.214 179.913 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -59.24 -43.61 92.4 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.194 -0.941 . . . . 0.0 110.129 179.995 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.1 m -62.04 -48.9 78.18 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.264 -0.898 . . . . 0.0 110.147 -179.935 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.609 0 O-C-N 121.273 -0.892 . . . . 0.0 110.219 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 121.279 0.562 . . . . 0.0 110.205 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -54.11 -53.75 48.94 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.276 -0.89 . . . . 0.0 110.211 179.959 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -54.26 -51.15 65.44 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.219 -0.926 . . . . 0.0 110.175 179.921 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.37 -46.99 76.47 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.216 -0.928 . . . . 0.0 110.139 -179.937 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.415 ' CE1' ' CD2' ' A' ' 15' ' ' PHE . 50.5 t80 -60.06 -50.3 74.27 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.251 -0.905 . . . . 0.0 110.143 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.415 ' O ' HG23 ' A' ' 16' ' ' THR . 5.6 t-20 -57.42 -46.03 83.97 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.213 -0.93 . . . . 0.0 110.176 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.455 ' O ' ' OG1' ' A' ' 16' ' ' THR . 0.1 OUTLIER -63.04 -54.28 40.65 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.294 -0.879 . . . . 0.0 110.239 179.971 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.55 -47.53 69.94 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.297 -0.877 . . . . 0.0 110.191 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.415 ' CD2' ' CE1' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -65.03 -49.88 68.42 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.214 -0.929 . . . . 0.0 110.266 179.92 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.455 ' OG1' ' O ' ' A' ' 13' ' ' ARG . 6.8 p -53.62 -43.57 68.81 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.321 -0.862 . . . . 0.0 110.225 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 . . . . . 0 N--CA 1.492 1.66 0 O-C-N 121.304 -0.872 . . . . 0.0 110.149 -179.999 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.271 0.558 . . . . 0.0 110.173 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -49.44 -57.55 6.78 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.224 -0.922 . . . . 0.0 110.249 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.23 -50.58 49.41 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.171 -0.956 . . . . 0.0 110.244 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.27 -54.57 41.83 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.258 -0.901 . . . . 0.0 110.214 179.942 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.68 -53.88 45.81 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.211 -0.931 . . . . 0.0 110.217 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 57.2 m-20 -53.35 -51.42 62.51 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.289 -0.882 . . . . 0.0 110.183 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.5 ttp180 -55.79 -56.03 25.4 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.224 -0.923 . . . . 0.0 110.227 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.39 -41.73 66.23 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.272 -0.892 . . . . 0.0 110.212 179.949 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.2 -48.74 77.06 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.32 -0.863 . . . . 0.0 110.216 179.957 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.7 m -61.7 -40.14 93.98 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.204 -0.935 . . . . 0.0 110.228 179.958 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? . . . . . 0 N--CA 1.492 1.635 0 O-C-N 121.259 -0.901 . . . . 0.0 110.216 -179.991 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.189 0.519 . . . . 0.0 110.207 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -45.16 -57.18 4.1 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.264 -0.897 . . . . 0.0 110.2 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.54 -48.23 63.1 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.265 -0.897 . . . . 0.0 110.254 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.2 mp -56.98 -52.55 64.79 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.243 -0.91 . . . . 0.0 110.231 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.6 -53.06 62.03 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.258 -0.901 . . . . 0.0 110.219 179.956 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.469 ' O ' HG23 ' A' ' 16' ' ' THR . 3.8 t-20 -53.78 -50.57 65.78 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.238 -0.914 . . . . 0.0 110.186 -179.95 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.442 ' O ' ' HB2' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -57.4 -53.36 58.98 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.225 -0.922 . . . . 0.0 110.202 -179.953 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 59.4 m -53.43 -51.76 61.61 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.235 -0.916 . . . . 0.0 110.226 -179.963 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -57.23 -57.11 14.07 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.318 -0.864 . . . . 0.0 110.193 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.469 HG23 ' O ' ' A' ' 12' ' ' ASN . 64.2 p -53.42 -48.62 68.58 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.155 -0.965 . . . . 0.0 110.138 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.442 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.581 0 O-C-N 121.207 -0.933 . . . . 0.0 110.211 179.954 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.19 0.519 . . . . 0.0 110.166 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -46.37 -59.18 3.1 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.26 -0.9 . . . . 0.0 110.182 -179.988 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.85 -43.85 66.36 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.23 -0.919 . . . . 0.0 110.124 179.964 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.551 HD23 ' O ' ' A' ' 10' ' ' LEU . 1.7 tt -57.5 -53.48 57.62 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.285 -0.884 . . . . 0.0 110.207 179.988 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.96 -46.07 88.95 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.126 -0.984 . . . . 0.0 110.144 179.998 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 36.6 t30 -57.56 -58.24 9.18 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.3 -0.875 . . . . 0.0 110.125 179.999 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.33 -52.6 62.96 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.242 -0.912 . . . . 0.0 110.156 -179.951 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.433 ' HB2' ' O ' ' A' ' 10' ' ' LEU . 0.6 OUTLIER -52.25 -45.38 65.35 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.284 -0.885 . . . . 0.0 110.209 179.939 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -63.13 -52.32 63.0 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.312 -0.868 . . . . 0.0 110.163 179.999 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -57.4 -49.89 74.74 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.246 -0.909 . . . . 0.0 110.152 -179.982 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? . . . . . 0 N--CA 1.491 1.594 0 O-C-N 121.263 -0.898 . . . . 0.0 110.261 179.942 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 121.286 0.565 . . . . 0.0 109.998 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.469 ' CE1' ' OD1' ' A' ' 12' ' ' ASN . 13.1 t80 -64.58 -47.44 78.67 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.215 -0.928 . . . . 0.0 109.945 179.838 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 -60.61 -41.29 94.5 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.333 -0.855 . . . . 0.0 110.066 179.866 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.457 ' O ' ' HB2' ' A' ' 14' ' ' SER . 4.8 tp -66.57 -50.02 64.5 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.193 -0.942 . . . . 0.0 110.186 179.889 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -59.95 -40.87 90.47 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.258 -0.901 . . . . 0.0 110.123 179.97 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.469 ' OD1' ' CE1' ' A' ' 8' ' ' PHE . 1.4 m120 -67.98 -51.71 44.21 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.184 -0.947 . . . . 0.0 110.18 179.997 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -59.12 -50.99 71.95 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.274 -0.891 . . . . 0.0 110.228 179.937 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.457 ' HB2' ' O ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -62.22 -46.67 87.82 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.284 -0.885 . . . . 0.0 110.176 179.999 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -60.63 -50.18 74.53 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.241 -0.912 . . . . 0.0 110.211 -179.999 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 50.7 m -60.18 -52.21 66.29 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.272 -0.892 . . . . 0.0 110.184 179.999 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.8 tm0? . . . . . 0 N--CA 1.491 1.599 0 O-C-N 121.188 -0.945 . . . . 0.0 110.217 179.984 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.4 t80 . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.253 0.549 . . . . 0.0 110.171 . . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.424 ' CD1' ' C ' ' A' ' 8' ' ' PHE . 17.8 t80 -48.63 -59.11 3.78 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.237 -0.914 . . . . 0.0 110.165 -179.973 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.53 -49.25 65.21 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.266 -0.896 . . . . 0.0 110.247 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.82 -52.53 56.64 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.168 -0.958 . . . . 0.0 110.24 179.952 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -59.19 -52.17 66.83 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.284 -0.885 . . . . 0.0 110.176 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -55.86 -54.94 38.44 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.256 -0.902 . . . . 0.0 110.159 -179.979 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.485 ' HD2' ' N ' ' A' ' 14' ' ' SER . 0.7 OUTLIER -54.29 -52.97 59.77 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.206 -0.934 . . . . 0.0 110.192 -179.955 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.485 ' N ' ' HD2' ' A' ' 13' ' ' ARG . 0.4 OUTLIER -54.83 -42.37 71.85 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.356 -0.84 . . . . 0.0 110.215 179.94 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.46 -55.16 26.43 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.201 -0.937 . . . . 0.0 110.214 179.968 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.01 -39.05 92.87 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.25 -0.906 . . . . 0.0 110.217 179.963 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.446 ' HG3' ' HG2' ' A' ' 13' ' ' ARG . 7.7 mm-40 . . . . . 0 N--CA 1.491 1.578 0 O-C-N 121.19 -0.944 . . . . 0.0 110.197 179.981 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.7 m-30 . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.293 0.568 . . . . 0.0 110.109 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -58.24 -45.87 86.99 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.295 -0.878 . . . . 0.0 109.979 179.892 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.407 ' NH1' ' HB2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -57.95 -49.35 77.1 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.317 -0.865 . . . . 0.0 110.064 179.872 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.416 HD13 ' HA ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -60.34 -50.95 71.59 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.253 -0.904 . . . . 0.0 110.091 179.897 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.73 -46.71 74.28 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.216 -0.928 . . . . 0.0 109.969 179.826 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -61.19 -51.5 68.76 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.221 -0.925 . . . . 0.0 110.074 179.83 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.407 ' HB2' ' NH1' ' A' ' 9' ' ' ARG . 2.4 ttm-85 -54.29 -51.78 63.53 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.288 -0.883 . . . . 0.0 110.142 179.887 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.7 t -58.13 -50.57 73.04 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.257 -0.902 . . . . 0.0 110.081 179.957 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -54.64 -43.91 72.73 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.289 -0.882 . . . . 0.0 110.21 179.978 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 92.4 m -64.92 -47.37 77.98 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.236 -0.915 . . . . 0.0 110.176 179.898 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.611 0 O-C-N 121.265 -0.897 . . . . 0.0 110.186 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . 1.468 2.5 p . . . . . 3 N--CA 0.203 -62.795 2 N-CA-C 171.746 22.498 . . . . 8.1300000000000008 171.746 . . . . . . . . . 3 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 143.97 -141.0 9.86 Favored Glycine 4 N--CA 0.368 -72.519 5 CA-C-N 168.377 23.262 . . . . 5.7000000000000002 156.053 -179.883 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . 1.322 20.0 m 167.44 86.73 0.0 OUTLIER 'General case' 4 N--CA 0.591 -43.39 5 O-C-N 31.081 -54.187 . . . . 4.6100000000000003 149.161 179.49 . . . . . . . . 4 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . 0.638 0.3 OUTLIER -112.8 -11.81 13.42 Favored 'General case' 3 C--N 0.637 -30.411 2 O-C-N 96.003 -16.686 . . . . 3.1400000000000001 119.132 -179.965 . . . . . . . . 5 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . 1.258 ' OG ' ' CA ' ' A' ' 5' ' ' SER 0.259 7.5 t -43.7 -67.67 0.26 Allowed 'General case' 1 N--CA 1.358 -5.029 0 O-C-N 125.163 1.539 . . . . 1.77 114.758 179.974 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.419 ' H ' ' HB3' ' A' ' 5' ' ' SER . 0.3 OUTLIER -47.24 -56.94 5.79 Favored 'General case' 0 C--N 1.293 -1.877 0 O-C-N 121.151 -0.968 . . . . 1.1799999999999999 110.482 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -51.78 -59.03 4.77 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.08 -1.012 . . . . 2.5 110.185 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -51.27 -55.08 20.08 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.176 -0.953 . . . . 2.1499999999999999 110.267 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.4 ttt180 -53.13 -50.93 63.51 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.251 -0.906 . . . . 3.4900000000000002 110.211 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 1.527 ' CD2' ' CB ' ' A' ' 10' ' ' LEU . 0.2 OUTLIER -55.34 -50.45 69.61 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.229 -0.919 . . . . 1.6899999999999999 110.273 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.68 -51.05 71.13 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.134 -0.979 . . . . 2.1699999999999999 110.228 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 1.434 ' OD1' ' CB ' ' A' ' 12' ' ' ASN . 9.6 t30 -58.32 -51.62 69.03 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.169 -0.957 . . . . 1.76 110.23 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 1.343 ' CD ' ' CB ' ' A' ' 13' ' ' ARG . 2.5 ttt180 -57.09 -50.65 72.11 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.166 -0.959 . . . . 3.3999999999999999 110.233 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . 1.131 ' OG ' ' HB2' ' A' ' 14' ' ' SER . 3.4 t -57.94 -47.77 81.91 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.188 -0.945 . . . . 1.27 110.224 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.427 ' O ' ' HB2' ' A' ' 19' ' ' LEU . 2.0 t80 -60.35 -50.56 73.11 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.171 -0.956 . . . . 2.1200000000000001 110.238 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.71 -47.82 84.13 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.136 -0.977 . . . . 1.1100000000000001 110.251 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 1.305 ' CD ' ' CB ' ' A' ' 17' ' ' GLN . 6.2 tt0 -61.77 -47.35 85.58 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.093 -1.004 . . . . 2.27 110.252 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.87 -51.17 68.04 Favored 'General case' 0 C--N 1.296 -1.719 0 O-C-N 121.104 -0.998 . . . . 0.48999999999999999 110.166 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 1.502 ' CD2' ' CB ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -55.95 -36.7 68.08 Favored 'General case' 0 C--O 1.175 -2.858 0 O-C-N 120.77 -1.206 . . . . 1.8100000000000001 110.422 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.733 ' HA2' ' CA ' ' A' ' 21' ' ' LYS . . . 12.32 0.01 0.0 OUTLIER Glycine 1 CA--C 0.591 -57.681 2 CA-C-O 171.255 28.142 . . . . 1.8100000000000001 170.432 -179.974 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.733 ' CA ' ' HA2' ' A' ' 20' ' ' GLY 1.489 6.7 ttpt -140.5 151.08 44.51 Favored 'General case' 4 C--O 0.059 -61.56 5 CA-C-N 14.089 -51.056 . . . . 7.9199999999999999 135.534 179.855 . . . . . . . . 5 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 0.088 -54.244 2 O-C-N 26.21 -60.307 . . . . 5.0899999999999999 . . . . . . . . . . 2 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.3 m . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 121.186 0.517 . . . . 0.0 110.202 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.437 ' O ' ' O ' ' A' ' 3' ' ' SER . . . -135.07 119.42 2.13 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.827 ' C ' HD12 ' A' ' 4' ' ' LEU . 6.9 t 55.37 106.19 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.25 -1.147 . . . . 0.0 110.249 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.827 HD12 ' C ' ' A' ' 3' ' ' SER . 6.5 mp -134.27 16.27 3.76 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.25 -0.906 . . . . 0.0 110.232 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 6' ' ' THR . 7.5 t -52.09 -67.21 0.27 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.281 -0.887 . . . . 0.0 110.222 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 5' ' ' SER . 0.1 OUTLIER -43.25 -65.72 0.46 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.21 -0.931 . . . . 0.0 110.168 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -47.39 -58.04 4.62 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.258 -0.901 . . . . 0.0 110.181 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.422 ' CD1' ' HB3' ' A' ' 4' ' ' LEU . 3.4 m-30 -52.04 -51.62 56.32 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.203 -0.936 . . . . 0.0 110.213 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -50.44 73.87 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.254 -0.904 . . . . 0.0 110.162 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.1 tp -53.43 -49.07 68.11 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.208 -0.932 . . . . 0.0 110.233 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.7 m-30 -63.02 -47.64 82.19 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.255 -0.903 . . . . 0.0 110.243 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -61.42 -47.71 84.52 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.254 -0.904 . . . . 0.0 110.213 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.52 -51.76 67.3 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.285 -0.884 . . . . 0.0 110.2 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 28.5 t -58.12 -44.99 88.03 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.234 -0.916 . . . . 0.0 110.226 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -64.79 -55.43 19.77 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.292 -0.88 . . . . 0.0 110.257 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.7 m -57.26 -52.29 65.91 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.241 -0.912 . . . . 0.0 110.23 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -57.48 -48.77 78.34 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.233 -0.917 . . . . 0.0 110.203 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.88 -55.57 32.49 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.266 -0.896 . . . . 0.0 110.229 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -47.34 -42.15 20.81 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.238 -0.914 . . . . 0.0 110.215 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.475 ' O ' ' N ' ' A' ' 22' ' ' NH2 . . . 120.43 0.27 12.55 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.26 -71.32 0.07 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.035 -1.274 . . . . 0.0 110.211 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . 0.475 ' N ' ' O ' ' A' ' 20' ' ' GLY . . . . . . . . 0 C--N 1.305 -1.356 0 O-C-N 119.879 -1.763 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.275 0.559 . . . . 0.0 110.255 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -54.67 -93.46 0.01 OUTLIER Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.486 -1.446 . . . . 0.0 109.486 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.79 -166.01 0.08 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.222 -1.164 . . . . 0.0 110.283 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.626 HD21 ' HG2' ' A' ' 9' ' ' ARG . 0.3 OUTLIER -158.99 -68.43 0.08 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.288 -0.882 . . . . 0.0 110.124 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.463 ' O ' ' O ' ' A' ' 4' ' ' LEU . 10.2 m 54.29 166.07 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.301 -0.875 . . . . 0.0 110.438 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 41.3 p -50.05 -35.78 26.4 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.264 -0.897 . . . . 0.0 109.943 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -54.56 -60.38 3.42 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.257 -0.902 . . . . 0.0 109.998 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.588 ' CB ' ' HA ' ' A' ' 4' ' ' LEU . 9.6 t80 -63.03 -45.72 90.96 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.224 -0.923 . . . . 0.0 109.898 179.689 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.626 ' HG2' HD21 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -58.91 -46.33 88.17 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.219 -0.926 . . . . 0.0 109.901 179.724 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 tp -63.63 -46.44 85.7 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.285 -0.884 . . . . 0.0 109.957 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.462 ' O ' ' HB2' ' A' ' 15' ' ' PHE . 0.2 OUTLIER -57.19 -49.53 75.7 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.309 -0.869 . . . . 0.0 110.102 179.793 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -63.33 -56.34 17.21 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.273 -0.892 . . . . 0.0 110.069 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.445 ' HB2' ' O ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -56.3 -46.69 79.7 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.303 -0.873 . . . . 0.0 110.081 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.478 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 97.5 p -59.29 -47.31 85.86 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.278 -0.888 . . . . 0.0 110.142 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.462 ' HB2' ' O ' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -60.41 -46.75 88.88 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.268 -0.895 . . . . 0.0 110.173 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.3 m -61.45 -57.76 10.91 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.245 -0.909 . . . . 0.0 110.188 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.524 ' HG3' ' N ' ' A' ' 18' ' ' ALA . 12.9 pt20 -59.17 -37.95 78.6 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.19 -0.944 . . . . 0.0 110.191 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.524 ' N ' ' HG3' ' A' ' 17' ' ' GLN . . . -62.84 -57.36 11.13 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.289 -0.882 . . . . 0.0 110.26 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 37.4 mt -55.37 -30.39 60.25 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.183 -0.948 . . . . 0.0 110.236 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.452 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -78.67 0.22 77.7 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.565 -1.414 . . . . 0.0 109.565 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.452 ' CB ' ' O ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER 172.76 137.44 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.959 -1.318 . . . . 0.0 110.194 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.344 0 O-C-N 119.843 -1.786 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.3 p . . . . . 0 N--CA 1.492 1.659 0 CA-C-O 121.24 0.543 . . . . 0.0 110.171 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.429 ' O ' ' CB ' ' A' ' 3' ' ' SER . . . 155.44 -62.26 0.35 Allowed Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 2' ' ' GLY . 0.1 OUTLIER 64.6 107.75 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.233 -1.157 . . . . 0.0 110.205 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -89.7 177.56 6.49 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.256 -0.903 . . . . 0.0 110.274 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 6' ' ' THR . 0.1 OUTLIER -44.76 -76.9 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.294 -0.879 . . . . 0.0 110.205 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 5' ' ' SER . 0.1 OUTLIER -43.0 -53.89 4.54 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.305 -0.872 . . . . 0.0 110.246 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -54.8 -64.97 0.66 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.238 -0.914 . . . . 0.0 110.191 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -46.44 -56.34 6.08 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.271 -0.893 . . . . 0.0 110.173 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.33 -55.32 19.05 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.231 -0.918 . . . . 0.0 110.18 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.452 ' HA ' HD13 ' A' ' 10' ' ' LEU . 0.4 OUTLIER -50.59 -53.78 27.9 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.29 -0.881 . . . . 0.0 110.131 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -53.83 -54.1 43.24 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.247 -0.908 . . . . 0.0 110.17 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 30.3 t30 -57.73 -41.91 82.8 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.258 -0.901 . . . . 0.0 110.23 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.9 -52.71 64.25 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.231 -0.918 . . . . 0.0 110.202 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.43 -46.82 88.64 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.191 -0.943 . . . . 0.0 110.13 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -59.8 -51.07 71.32 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.256 -0.903 . . . . 0.0 110.259 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.0 m -59.79 -53.49 57.31 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.315 -0.866 . . . . 0.0 110.25 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -53.85 -47.91 70.53 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.294 -0.879 . . . . 0.0 110.198 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.08 -64.4 0.9 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.292 -0.88 . . . . 0.0 110.234 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.462 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 4.0 mm? -55.75 -17.51 6.21 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.223 -0.923 . . . . 0.0 110.21 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -98.28 0.15 58.5 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.3 tttp 51.62 21.37 1.3 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.968 -1.313 . . . . 0.0 110.192 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.322 0 O-C-N 119.838 -1.789 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 121.196 0.522 . . . . 0.0 110.235 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 99.72 33.91 5.14 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.437 ' O ' ' HB2' ' A' ' 4' ' ' LEU . 68.2 m -108.6 102.75 11.79 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.269 -1.136 . . . . 0.0 110.171 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.437 ' HB2' ' O ' ' A' ' 3' ' ' SER . 0.7 OUTLIER 55.8 18.29 2.88 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.261 -0.899 . . . . 0.0 110.302 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -47.55 -58.93 3.65 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.241 -0.912 . . . . 0.0 110.186 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.2 m -48.04 -58.15 4.84 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.305 -0.872 . . . . 0.0 110.146 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -51.73 -49.14 63.11 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.226 -0.921 . . . . 0.0 110.147 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -54.63 -59.5 4.63 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.248 -0.907 . . . . 0.0 110.104 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.26 -49.94 63.06 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.217 -0.927 . . . . 0.0 110.036 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.409 ' O ' ' CB ' ' A' ' 14' ' ' SER . 1.3 tt -56.32 -45.47 80.29 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.22 -0.925 . . . . 0.0 110.045 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.455 ' O ' ' HB2' ' A' ' 15' ' ' PHE . 7.0 t80 -60.73 -49.65 76.65 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.294 -0.879 . . . . 0.0 110.107 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -59.54 -58.29 9.23 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.304 -0.873 . . . . 0.0 110.14 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 21.6 ttp180 -58.45 -46.36 86.71 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.234 -0.916 . . . . 0.0 110.152 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.453 ' HG ' ' C ' ' A' ' 11' ' ' PHE . 88.0 p -56.93 -49.88 74.3 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.233 -0.917 . . . . 0.0 110.056 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.455 ' HB2' ' O ' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -60.64 -51.17 70.54 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.239 -0.913 . . . . 0.0 110.107 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.697 HG23 ' HD3' ' A' ' 21' ' ' LYS . 51.9 m -56.77 -48.0 78.85 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.158 -0.964 . . . . 0.0 110.073 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -64.95 -47.6 77.08 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.252 -0.905 . . . . 0.0 110.226 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.47 -47.97 75.28 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.305 -0.872 . . . . 0.0 110.22 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.495 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -57.0 -48.79 77.62 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.337 -0.852 . . . . 0.0 110.193 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 123.56 0.3 9.32 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.494 -1.442 . . . . 0.0 109.494 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.697 ' HD3' HG23 ' A' ' 16' ' ' THR . 0.1 OUTLIER -46.67 -28.17 1.4 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.072 -1.252 . . . . 0.0 110.213 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.365 0 O-C-N 119.939 -1.726 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.3 t . . . . . 0 N--CA 1.492 1.672 0 CA-C-O 121.208 0.527 . . . . 0.0 110.224 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 84.37 33.25 20.45 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.593 -1.403 . . . . 0.0 109.593 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m 46.86 41.16 10.19 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.224 -1.163 . . . . 0.0 110.225 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -120.56 -6.59 9.72 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.29 -0.881 . . . . 0.0 110.261 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.3 m -43.36 -65.48 0.49 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.271 -0.893 . . . . 0.0 110.143 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -44.04 -54.57 5.36 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.217 -0.927 . . . . 0.0 110.16 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -51.85 -52.09 51.94 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.308 -0.87 . . . . 0.0 110.214 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -55.97 -56.14 24.35 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.217 -0.927 . . . . 0.0 110.1 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -50.03 -52.86 30.9 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.236 -0.915 . . . . 0.0 110.147 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.4 tp -58.06 -48.66 79.45 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.246 -0.909 . . . . 0.0 110.121 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.431 ' O ' ' HB2' ' A' ' 15' ' ' PHE . 1.8 m-85 -53.68 -49.87 67.08 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.188 -0.945 . . . . 0.0 110.172 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -62.01 -53.09 60.38 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.235 -0.915 . . . . 0.0 110.121 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.401 ' O ' ' OG1' ' A' ' 16' ' ' THR . 1.0 OUTLIER -55.2 -58.88 5.89 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.307 -0.871 . . . . 0.0 110.23 179.874 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.7 t -53.16 -46.6 68.95 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.219 -0.926 . . . . 0.0 110.097 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.431 ' HB2' ' O ' ' A' ' 11' ' ' PHE . 1.6 m-85 -55.63 -53.34 57.71 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.203 -0.936 . . . . 0.0 110.189 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 13' ' ' ARG . 2.1 p -59.43 -39.99 85.32 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.249 -0.907 . . . . 0.0 110.215 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -66.68 -52.01 49.59 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.188 -0.945 . . . . 0.0 110.27 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.93 -52.62 64.95 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.24 -0.912 . . . . 0.0 110.196 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 0.2 OUTLIER -48.43 -37.32 16.86 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.23 -0.919 . . . . 0.0 110.182 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.5 0.22 89.37 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.75 88.0 0.33 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.977 -1.308 . . . . 0.0 110.179 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.334 0 O-C-N 119.846 -1.784 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.434 ' O ' ' OG ' ' A' ' 1' ' ' SER . 6.8 p . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.252 0.548 . . . . 0.0 110.152 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -129.65 24.86 4.55 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.4 p -126.69 56.01 1.5 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.253 -1.145 . . . . 0.0 110.232 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.38 -30.68 57.63 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.262 -0.899 . . . . 0.0 110.238 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 6' ' ' THR . 4.7 t -59.49 -66.47 0.51 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.244 -0.91 . . . . 0.0 110.18 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 5' ' ' SER . 32.4 p -42.93 -58.39 2.42 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.277 -0.89 . . . . 0.0 110.281 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -51.68 -49.33 62.59 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.312 -0.868 . . . . 0.0 110.2 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -55.27 -56.9 14.73 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.2 -0.938 . . . . 0.0 110.2 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.46 -54.0 43.3 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.27 -0.894 . . . . 0.0 110.208 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.8 tt -51.57 -50.02 60.92 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.241 -0.912 . . . . 0.0 110.205 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.1 -56.2 25.11 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.296 -0.877 . . . . 0.0 110.234 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.634 ' O ' HG23 ' A' ' 16' ' ' THR . 0.2 OUTLIER -50.44 -49.9 53.64 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.223 -0.923 . . . . 0.0 110.208 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.409 ' O ' ' HB2' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -58.6 -52.32 66.17 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.253 -0.904 . . . . 0.0 110.143 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.407 ' O ' ' CB ' ' A' ' 18' ' ' ALA . 9.4 p -61.39 -45.16 95.52 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.334 -0.854 . . . . 0.0 110.272 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -58.01 -47.73 82.15 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.237 -0.914 . . . . 0.0 110.247 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.634 HG23 ' O ' ' A' ' 12' ' ' ASN . 72.3 p -66.49 -57.88 6.41 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.273 -0.892 . . . . 0.0 110.217 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.409 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -56.21 -31.17 63.23 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.274 -0.891 . . . . 0.0 110.24 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.407 ' CB ' ' O ' ' A' ' 14' ' ' SER . . . -76.13 -64.0 1.19 Allowed 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.31 -0.869 . . . . 0.0 110.144 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.464 HD23 ' O ' ' A' ' 19' ' ' LEU . 3.2 tt -53.88 -21.5 7.86 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.308 -0.87 . . . . 0.0 110.188 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.56 0.21 61.23 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.76 94.09 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.065 -1.256 . . . . 0.0 110.228 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.351 0 O-C-N 119.904 -1.747 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.3 p . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.23 0.538 . . . . 0.0 110.238 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -165.77 41.51 0.28 Allowed Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.1 t -109.96 -48.91 3.14 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.228 -1.16 . . . . 0.0 110.214 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.6 mt -98.82 47.53 0.98 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.228 -0.92 . . . . 0.0 110.201 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 6' ' ' THR . 1.8 t -50.03 -72.45 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.21 -0.931 . . . . 0.0 110.239 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 5' ' ' SER . 61.9 m -43.41 -61.49 1.35 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.278 -0.889 . . . . 0.0 110.247 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -44.88 -68.47 0.2 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.284 -0.885 . . . . 0.0 110.175 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -46.41 -53.18 11.53 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.202 -0.936 . . . . 0.0 110.155 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.8 -56.12 15.8 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.151 -0.968 . . . . 0.0 110.191 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 10' ' ' LEU . 8.6 mt -53.07 -45.06 67.97 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.281 -0.887 . . . . 0.0 110.215 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -59.52 -57.55 12.46 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.189 -0.944 . . . . 0.0 110.248 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -56.89 -51.4 69.23 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.241 -0.912 . . . . 0.0 110.204 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.468 ' O ' ' HB2' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -55.44 -55.46 31.46 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.28 -0.887 . . . . 0.0 110.19 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.432 ' HB2' ' O ' ' A' ' 10' ' ' LEU . 0.9 OUTLIER -53.51 -49.24 67.98 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.28 -0.888 . . . . 0.0 110.201 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.452 ' O ' HD12 ' A' ' 19' ' ' LEU . 8.1 m-85 -66.51 -49.82 65.28 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.279 -0.888 . . . . 0.0 110.211 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 49.3 m -57.49 -52.75 64.13 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.154 -0.966 . . . . 0.0 110.128 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.468 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -61.87 -52.43 64.14 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.216 -0.928 . . . . 0.0 110.196 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.83 -32.6 65.92 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.251 -0.906 . . . . 0.0 110.133 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.452 HD12 ' O ' ' A' ' 15' ' ' PHE . 9.7 mt -63.66 -61.37 2.36 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.281 -0.887 . . . . 0.0 110.199 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.08 0.16 74.74 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.559 -1.416 . . . . 0.0 109.559 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.85 -158.73 0.46 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.046 -1.267 . . . . 0.0 110.144 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 119.837 -1.79 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.8 t . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 121.251 0.548 . . . . 0.0 110.224 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -141.94 133.38 5.66 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.593 -1.403 . . . . 0.0 109.593 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 t 49.52 84.08 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.275 -1.132 . . . . 0.0 110.258 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.466 HD22 ' HA ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -129.08 -65.46 0.86 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.326 -0.859 . . . . 0.0 110.196 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 p -47.95 -48.53 32.07 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.163 -0.961 . . . . 0.0 110.273 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.7 m -45.58 -67.83 0.25 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.249 -0.907 . . . . 0.0 110.215 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.11 -52.81 62.97 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.16 -0.963 . . . . 0.0 110.193 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -49.63 -60.69 2.64 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.24 -0.912 . . . . 0.0 110.161 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 43.6 ttt180 -52.92 -48.55 67.18 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.258 -0.901 . . . . 0.0 110.237 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 tt -52.13 -54.33 31.91 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.235 -0.916 . . . . 0.0 110.125 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.446 ' O ' ' HB2' ' A' ' 15' ' ' PHE . 0.3 OUTLIER -59.0 -51.37 70.36 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.244 -0.91 . . . . 0.0 110.195 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -53.61 -50.55 65.44 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.215 -0.928 . . . . 0.0 110.208 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.9 mmt-85 -60.3 -56.05 26.27 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.244 -0.91 . . . . 0.0 110.232 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.5 p -55.47 -43.21 75.29 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.288 -0.882 . . . . 0.0 110.231 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.446 ' HB2' ' O ' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -62.44 -45.74 91.72 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.325 -0.86 . . . . 0.0 110.204 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 32.6 m -63.97 -42.09 97.36 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.182 -0.949 . . . . 0.0 110.17 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -65.95 -49.18 68.83 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.24 -0.913 . . . . 0.0 110.262 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.38 -47.73 80.83 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.352 -0.842 . . . . 0.0 110.179 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.2 tp -56.49 -43.18 79.42 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.242 -0.911 . . . . 0.0 110.171 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.68 0.28 65.84 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.84 92.3 3.6 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.041 -1.27 . . . . 0.0 110.226 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.366 0 O-C-N 119.851 -1.781 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 121.287 0.565 . . . . 0.0 110.191 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 129.95 147.83 6.32 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.35 162.97 1.56 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.253 -1.145 . . . . 0.0 110.196 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.426 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 0.5 OUTLIER 48.95 50.66 17.4 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.239 -0.913 . . . . 0.0 110.2 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.5 p -55.0 -64.93 0.68 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.258 -0.901 . . . . 0.0 110.254 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.401 HG22 HD12 ' A' ' 10' ' ' LEU . 7.1 m -46.48 -60.91 2.06 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.241 -0.912 . . . . 0.0 110.237 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -55.22 -53.97 49.24 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.239 -0.913 . . . . 0.0 110.17 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.426 ' HB2' ' O ' ' A' ' 4' ' ' LEU . 35.4 t80 -53.64 -66.53 0.38 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.236 -0.915 . . . . 0.0 110.221 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.536 ' HD2' ' NH2' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -46.71 -43.98 18.35 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.24 -0.912 . . . . 0.0 110.224 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.401 HD12 HG22 ' A' ' 6' ' ' THR . 16.4 mt -57.85 -58.39 8.58 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.35 -0.844 . . . . 0.0 110.277 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -56.58 -46.11 80.98 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.264 -0.898 . . . . 0.0 110.123 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -58.63 -57.83 11.25 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.31 -0.869 . . . . 0.0 110.25 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.536 ' NH2' ' HD2' ' A' ' 9' ' ' ARG . 0.9 OUTLIER -54.25 -53.14 57.63 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.172 -0.955 . . . . 0.0 110.146 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.526 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 24.2 m -52.18 -52.68 50.56 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.328 -0.858 . . . . 0.0 110.216 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -67.04 -50.44 61.95 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.278 -0.889 . . . . 0.0 110.218 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.9 m -48.67 -59.28 3.66 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.245 -0.909 . . . . 0.0 110.254 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 18' ' ' ALA . 1.1 tt0 -66.91 -50.91 60.91 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.172 -0.955 . . . . 0.0 110.14 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.526 ' HB2' ' O ' ' A' ' 14' ' ' SER . . . -44.03 -53.41 6.32 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.218 -0.926 . . . . 0.0 110.221 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.96 -55.89 8.45 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.25 -0.906 . . . . 0.0 110.188 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 124.29 0.22 8.78 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.543 -1.423 . . . . 0.0 109.543 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.482 ' HG2' ' N ' ' A' ' 22' ' ' NH2 . 11.5 tttt -77.16 -91.25 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.048 -1.266 . . . . 0.0 110.195 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . 0.482 ' N ' ' HG2' ' A' ' 21' ' ' LYS . . . . . . . . 0 C--N 1.304 -1.372 0 O-C-N 119.945 -1.722 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 47.3 t . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 121.225 0.536 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 65.95 178.28 8.13 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.582 -1.407 . . . . 0.0 109.582 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.64 147.22 35.68 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.202 -1.175 . . . . 0.0 110.234 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.547 ' HA ' ' CB ' ' A' ' 8' ' ' PHE . 3.6 mp -69.52 -54.2 15.32 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.22 -0.925 . . . . 0.0 110.183 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.462 ' O ' ' O ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER 55.51 163.46 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.313 -0.867 . . . . 0.0 110.241 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.454 ' O ' ' HB2' ' A' ' 10' ' ' LEU . 0.7 OUTLIER -46.54 -36.17 6.51 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.259 -0.9 . . . . 0.0 110.174 179.89 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -56.03 -63.43 1.18 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.21 -0.931 . . . . 0.0 110.114 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.547 ' CB ' ' HA ' ' A' ' 4' ' ' LEU . 4.1 t80 -60.14 -43.57 95.62 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.232 -0.918 . . . . 0.0 109.838 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.2 ttm-85 -56.12 -48.43 76.22 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.313 -0.867 . . . . 0.0 109.978 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.454 ' HB2' ' O ' ' A' ' 6' ' ' THR . 0.2 OUTLIER -64.45 -47.96 77.06 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.248 -0.908 . . . . 0.0 110.008 179.791 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.408 ' O ' ' HB2' ' A' ' 15' ' ' PHE . 0.5 OUTLIER -53.31 -47.69 69.05 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.262 -0.899 . . . . 0.0 110.037 179.856 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -66.95 -56.54 9.74 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.272 -0.892 . . . . 0.0 110.105 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.57 -40.37 71.89 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.202 -0.936 . . . . 0.0 110.053 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 28.9 t -66.46 -49.75 65.64 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.252 -0.905 . . . . 0.0 110.145 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.408 ' HB2' ' O ' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -58.18 -50.03 74.96 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.256 -0.902 . . . . 0.0 110.153 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.6 p -63.97 -45.11 90.58 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.158 -0.964 . . . . 0.0 110.219 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 43.3 tp60 -57.74 -49.19 77.38 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.237 -0.915 . . . . 0.0 110.182 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.35 -48.32 73.4 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.244 -0.91 . . . . 0.0 110.225 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.555 HD23 ' O ' ' A' ' 19' ' ' LEU . 7.3 tt -56.33 -38.52 71.43 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.229 -0.919 . . . . 0.0 110.224 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.44 0.25 64.9 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.554 -1.419 . . . . 0.0 109.554 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.1 tttt -144.62 92.91 2.35 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.009 -1.289 . . . . 0.0 110.137 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.347 0 O-C-N 119.838 -1.789 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 121.248 0.547 . . . . 0.0 110.189 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 94.48 131.25 6.19 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.601 -1.4 . . . . 0.0 109.601 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 p -46.37 126.78 8.38 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.314 -1.109 . . . . 0.0 110.226 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -129.78 -2.12 4.75 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.304 -0.873 . . . . 0.0 110.271 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.6 m -50.43 -72.55 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.342 -0.849 . . . . 0.0 110.197 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -45.97 -47.35 16.6 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.302 -0.873 . . . . 0.0 110.182 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -53.94 -58.97 5.32 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.261 -0.899 . . . . 0.0 110.168 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -53.98 -49.94 67.67 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.24 -0.912 . . . . 0.0 110.173 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.26 -54.33 44.76 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.239 -0.913 . . . . 0.0 110.177 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.495 ' HA ' HD22 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -55.85 -50.32 70.9 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.26 -0.9 . . . . 0.0 110.179 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -54.3 -49.53 69.43 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.232 -0.917 . . . . 0.0 110.221 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 34.4 t30 -59.84 -51.52 69.39 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.194 -0.941 . . . . 0.0 110.25 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.48 ' O ' ' HD3' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -53.96 -54.36 39.99 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.264 -0.898 . . . . 0.0 110.162 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.39 -44.72 84.73 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.269 -0.895 . . . . 0.0 110.129 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.461 ' O ' ' HB2' ' A' ' 19' ' ' LEU . 0.1 OUTLIER -57.5 -51.49 69.26 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.221 -0.924 . . . . 0.0 110.185 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 37.7 m -60.81 -48.57 81.19 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.294 -0.879 . . . . 0.0 110.155 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -45.53 91.24 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.3 -0.875 . . . . 0.0 110.213 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.33 -62.49 1.65 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.204 -0.935 . . . . 0.0 110.17 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.461 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 3.7 mp -55.82 -27.11 49.74 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.177 -0.952 . . . . 0.0 110.205 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.49 0.22 62.1 Favored Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.612 -1.395 . . . . 0.0 109.612 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -88.13 -9.65 52.53 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.034 -1.274 . . . . 0.0 110.132 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.38 0 O-C-N 119.939 -1.726 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 17.3 m . . . . . 0 N--CA 1.492 1.625 0 CA-C-O 121.227 0.537 . . . . 0.0 110.231 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -178.88 59.07 0.08 OUTLIER Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.504 -1.438 . . . . 0.0 109.504 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.77 76.55 1.2 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.226 -1.161 . . . . 0.0 110.223 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 77.7 mt -71.89 -3.11 20.56 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.143 -0.973 . . . . 0.0 110.24 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.57 -56.31 5.28 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.249 -0.907 . . . . 0.0 110.201 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -49.2 -62.02 1.76 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.153 -0.967 . . . . 0.0 110.252 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -52.41 -57.63 9.24 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.287 -0.883 . . . . 0.0 110.214 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -48.7 -57.84 5.67 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.266 -0.896 . . . . 0.0 110.155 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.83 -53.31 33.24 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.239 -0.913 . . . . 0.0 110.193 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -51.97 -56.61 13.14 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.287 -0.883 . . . . 0.0 110.194 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -53.8 -49.56 68.05 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.272 -0.892 . . . . 0.0 110.204 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -58.36 -46.1 86.95 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.257 -0.902 . . . . 0.0 110.202 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.432 ' CA ' ' NE ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -59.81 -49.99 75.55 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.298 -0.876 . . . . 0.0 110.178 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.55 -50.04 75.43 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.247 -0.908 . . . . 0.0 110.195 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.758 ' O ' HD12 ' A' ' 19' ' ' LEU . 0.5 OUTLIER -57.8 -45.44 86.07 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.22 -0.925 . . . . 0.0 110.185 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.732 HG23 ' O ' ' A' ' 21' ' ' LYS . 27.1 m -65.62 -55.05 19.66 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.279 -0.888 . . . . 0.0 110.166 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -52.85 -42.7 65.46 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.267 -0.896 . . . . 0.0 110.216 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.79 -51.56 47.41 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.278 -0.888 . . . . 0.0 110.19 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.758 HD12 ' O ' ' A' ' 15' ' ' PHE . 9.4 mt -53.56 -39.32 64.68 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.322 -0.861 . . . . 0.0 110.16 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.36 0.2 31.13 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.574 -1.41 . . . . 0.0 109.574 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.732 ' O ' HG23 ' A' ' 16' ' ' THR . 0.0 OUTLIER -136.37 114.55 11.54 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.113 -1.227 . . . . 0.0 110.222 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.324 0 O-C-N 119.799 -1.813 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 69.8 m . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.211 0.529 . . . . 0.0 110.154 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 76.48 20.31 77.0 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.88 161.03 17.44 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.216 -1.167 . . . . 0.0 110.18 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.478 HD23 ' HB2' ' A' ' 7' ' ' PHE . 0.1 OUTLIER 57.89 15.55 3.14 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.259 -0.901 . . . . 0.0 110.253 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -44.75 -55.28 5.45 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.276 -0.89 . . . . 0.0 110.21 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 99.0 m -47.98 -65.73 0.52 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.224 -0.922 . . . . 0.0 110.228 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.478 ' HB2' HD23 ' A' ' 4' ' ' LEU . 95.5 m-85 -47.75 -57.32 5.72 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.263 -0.898 . . . . 0.0 110.228 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -51.68 -55.07 21.64 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.173 -0.955 . . . . 0.0 110.177 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 -49.94 -55.29 15.08 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.287 -0.883 . . . . 0.0 110.229 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.446 ' HA ' HD12 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -55.2 -44.94 75.81 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.239 -0.913 . . . . 0.0 110.236 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -58.15 -56.61 19.88 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.286 -0.884 . . . . 0.0 110.123 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -56.47 -53.8 53.17 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.193 -0.942 . . . . 0.0 110.2 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 -56.58 -47.23 79.99 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.229 -0.919 . . . . 0.0 110.1 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.5 t -56.75 -53.29 59.45 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.213 -0.93 . . . . 0.0 110.153 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -57.16 -50.37 73.04 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.251 -0.905 . . . . 0.0 110.176 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 53.2 m -57.23 -44.93 84.23 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.33 -0.857 . . . . 0.0 110.17 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 21' ' ' LYS . 0.7 OUTLIER -61.47 -50.87 71.03 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.29 -0.882 . . . . 0.0 110.201 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.32 -40.77 91.79 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.258 -0.901 . . . . 0.0 110.188 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.533 HD23 ' C ' ' A' ' 19' ' ' LEU . 9.1 tt -59.2 -55.34 36.14 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.275 -0.891 . . . . 0.0 110.272 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.472 ' N ' HD23 ' A' ' 19' ' ' LEU . . . -85.75 0.18 87.91 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER 60.49 12.92 3.8 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.111 -1.229 . . . . 0.0 110.192 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.312 0 O-C-N 119.856 -1.778 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 121.25 0.548 . . . . 0.0 110.223 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.46 ' O ' ' O ' ' A' ' 3' ' ' SER . . . 103.25 -43.67 1.63 Allowed Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.46 ' O ' ' O ' ' A' ' 2' ' ' GLY . 1.3 m 60.52 126.41 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.248 -1.148 . . . . 0.0 110.217 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.77 ' O ' HD23 ' A' ' 4' ' ' LEU . 5.5 tt -88.38 -19.19 26.94 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.232 -0.917 . . . . 0.0 110.236 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 4' ' ' LEU . 78.3 p -43.03 -69.88 0.12 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.232 -0.918 . . . . 0.0 110.196 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -46.02 -53.49 10.04 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.224 -0.922 . . . . 0.0 110.201 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -53.08 -46.93 68.82 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.245 -0.909 . . . . 0.0 110.241 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.676 ' CE1' ' ND2' ' A' ' 12' ' ' ASN . 49.1 t80 -60.5 -54.58 43.79 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.284 -0.885 . . . . 0.0 110.178 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.8 tpp180 -56.25 -46.5 79.58 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.241 -0.912 . . . . 0.0 110.225 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.96 -46.62 88.84 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.255 -0.903 . . . . 0.0 110.21 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -61.36 -52.12 65.96 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.282 -0.886 . . . . 0.0 110.238 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.676 ' ND2' ' CE1' ' A' ' 8' ' ' PHE . 34.0 m-20 -60.67 -42.17 96.54 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.249 -0.907 . . . . 0.0 110.214 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.17 -55.33 22.56 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.237 -0.915 . . . . 0.0 110.172 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 92.9 p -56.97 -46.65 82.05 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.254 -0.904 . . . . 0.0 110.184 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -61.66 -50.55 72.05 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.234 -0.916 . . . . 0.0 110.199 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.5 m -57.41 -55.98 27.82 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.29 -0.881 . . . . 0.0 110.189 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -60.71 -41.23 94.81 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.29 -0.882 . . . . 0.0 110.198 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.53 -65.17 0.73 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.225 -0.922 . . . . 0.0 110.166 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.426 ' HA ' HD13 ' A' ' 19' ' ' LEU . 1.5 mm? -55.42 -19.94 10.74 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.229 -0.919 . . . . 0.0 110.211 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 21' ' ' LYS . . . -78.02 0.28 73.41 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.507 -1.437 . . . . 0.0 109.507 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 20' ' ' GLY . 5.4 mtpt -44.0 -62.07 1.25 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.001 -1.293 . . . . 0.0 110.149 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.36 0 O-C-N 119.845 -1.785 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 98.1 p . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.224 0.535 . . . . 0.0 110.163 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -141.16 52.55 0.68 Allowed Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.3 t -139.97 -53.88 0.53 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.254 -1.145 . . . . 0.0 110.226 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.758 HD13 ' HB3' ' A' ' 8' ' ' PHE . 0.5 OUTLIER -68.22 -80.29 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.317 -0.864 . . . . 0.0 110.194 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.469 ' O ' ' O ' ' A' ' 4' ' ' LEU . 3.7 m 54.09 166.33 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.332 -0.855 . . . . 0.0 110.406 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.465 ' O ' ' HB2' ' A' ' 10' ' ' LEU . 20.6 m -50.21 -36.07 29.24 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.229 -0.919 . . . . 0.0 109.934 179.781 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -53.91 -61.62 2.18 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.322 -0.861 . . . . 0.0 109.967 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.758 ' HB3' HD13 ' A' ' 4' ' ' LEU . 3.6 t80 -62.12 -43.51 98.68 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.255 -0.903 . . . . 0.0 109.87 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -59.44 -47.89 83.73 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.217 -0.927 . . . . 0.0 109.962 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.465 ' HB2' ' O ' ' A' ' 6' ' ' THR . 2.8 tp -63.16 -47.31 83.22 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.215 -0.928 . . . . 0.0 109.989 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -56.72 -46.54 81.23 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.273 -0.892 . . . . 0.0 109.971 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -63.91 -52.41 60.01 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.276 -0.89 . . . . 0.0 110.072 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.35 -49.01 68.03 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.298 -0.876 . . . . 0.0 110.018 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 37.1 t -61.22 -52.0 66.62 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.319 -0.863 . . . . 0.0 110.098 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -55.11 -43.01 73.66 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.218 -0.926 . . . . 0.0 110.012 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.9 m -64.24 -50.47 67.87 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.267 -0.895 . . . . 0.0 110.152 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -56.57 -47.39 79.6 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.281 -0.887 . . . . 0.0 110.206 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.8 -45.67 88.65 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.164 -0.96 . . . . 0.0 110.172 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.517 HD23 ' O ' ' A' ' 19' ' ' LEU . 3.2 tt -50.45 -42.1 53.7 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.305 -0.872 . . . . 0.0 110.227 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.454 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . 93.65 0.5 66.79 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.531 -1.428 . . . . 0.0 109.531 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.454 ' CB ' ' O ' ' A' ' 20' ' ' GLY . 4.0 tttp 66.53 -70.09 0.11 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.058 -1.26 . . . . 0.0 110.204 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . 0.425 ' N ' ' O ' ' A' ' 20' ' ' GLY . . . . . . . . 0 C--N 1.305 -1.333 0 O-C-N 119.951 -1.718 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.8 m . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.209 0.528 . . . . 0.0 110.164 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -70.72 -115.5 0.04 OUTLIER Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.569 -1.412 . . . . 0.0 109.569 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -133.98 91.9 2.88 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.24 -1.153 . . . . 0.0 110.249 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.534 ' HA ' ' HB3' ' A' ' 8' ' ' PHE . 2.2 tp -166.38 -143.11 0.05 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.364 -0.835 . . . . 0.0 110.21 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.6 t 52.31 -179.53 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.282 -0.886 . . . . 0.0 110.259 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -48.95 -49.4 40.6 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.269 -0.894 . . . . 0.0 110.249 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.407 ' C ' ' O ' ' A' ' 6' ' ' THR . 28.2 m-85 -43.03 -63.82 0.74 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.238 -0.914 . . . . 0.0 110.069 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.534 ' HB3' ' HA ' ' A' ' 4' ' ' LEU . 12.3 t80 -58.64 -45.21 89.77 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.282 -0.886 . . . . 0.0 110.084 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.08 -48.26 80.68 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.301 -0.874 . . . . 0.0 110.164 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.4 tp -62.45 -50.93 69.5 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.297 -0.877 . . . . 0.0 110.122 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -55.22 -43.54 74.57 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.301 -0.874 . . . . 0.0 110.064 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.95 -48.95 69.61 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.317 -0.864 . . . . 0.0 110.167 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.6 ttt-85 -56.85 -53.65 55.49 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.275 -0.891 . . . . 0.0 110.201 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 91.2 p -62.39 -47.12 85.53 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.271 -0.893 . . . . 0.0 110.19 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.484 ' CE1' HD13 ' A' ' 19' ' ' LEU . 43.5 t80 -59.77 -44.36 93.91 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.239 -0.913 . . . . 0.0 110.207 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.478 HG22 ' HD2' ' A' ' 21' ' ' LYS . 24.9 m -65.62 -46.65 78.47 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.275 -0.891 . . . . 0.0 110.197 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -61.08 -42.6 98.81 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.306 -0.871 . . . . 0.0 110.179 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.39 -52.24 35.2 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.278 -0.889 . . . . 0.0 110.199 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.484 HD13 ' CE1' ' A' ' 15' ' ' PHE . 3.6 tp -49.68 -30.67 9.52 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.257 -0.902 . . . . 0.0 110.191 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.8 0.19 87.72 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.478 ' HD2' HG22 ' A' ' 16' ' ' THR . 1.1 mttm 52.25 -179.5 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.086 -1.243 . . . . 0.0 110.247 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.318 0 O-C-N 119.886 -1.759 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.201 0.524 . . . . 0.0 110.205 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -175.42 -84.72 0.06 OUTLIER Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.439 ' OG ' ' HB2' ' A' ' 8' ' ' PHE . 27.8 t -67.1 176.84 1.98 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.27 -1.136 . . . . 0.0 110.24 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.416 ' O ' ' HB3' ' A' ' 8' ' ' PHE . 0.6 OUTLIER -119.99 157.75 28.19 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.288 -0.882 . . . . 0.0 110.238 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -44.08 -74.15 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.199 -0.938 . . . . 0.0 110.155 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -50.27 -59.33 4.06 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.318 -0.864 . . . . 0.0 110.138 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -49.46 -60.78 2.54 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.347 -0.846 . . . . 0.0 110.212 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.439 ' HB2' ' OG ' ' A' ' 3' ' ' SER . 48.2 t80 -45.98 -55.46 6.8 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.244 -0.91 . . . . 0.0 110.269 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -53.26 -58.71 6.13 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.23 -0.919 . . . . 0.0 110.174 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 mp -50.41 -44.98 55.3 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.281 -0.887 . . . . 0.0 110.167 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -60.9 -53.39 57.89 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.214 -0.929 . . . . 0.0 110.218 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.437 ' O ' ' OG1' ' A' ' 16' ' ' THR . 48.9 t-20 -55.14 -52.73 62.37 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.281 -0.887 . . . . 0.0 110.169 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.404 ' HD2' ' N ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -58.43 -57.56 12.38 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.32 -0.862 . . . . 0.0 110.223 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.404 ' N ' ' HD2' ' A' ' 13' ' ' ARG . 16.5 m -52.45 -47.22 66.55 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.222 -0.924 . . . . 0.0 110.171 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.69 ' CD2' HD13 ' A' ' 19' ' ' LEU . 7.5 t80 -58.49 -55.87 29.49 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.299 -0.876 . . . . 0.0 110.188 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' A' ' 12' ' ' ASN . 0.7 OUTLIER -52.99 -51.92 60.01 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.28 -0.888 . . . . 0.0 110.243 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.35 -51.15 68.76 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.282 -0.886 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.24 -68.95 0.3 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.276 -0.89 . . . . 0.0 110.171 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.69 HD13 ' CD2' ' A' ' 15' ' ' PHE . 0.3 OUTLIER -60.97 -12.14 10.38 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.341 -0.849 . . . . 0.0 110.378 -179.93 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.64 -0.04 57.68 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.647 -1.381 . . . . 0.0 109.647 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.1 tptp -79.27 130.51 35.53 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.007 -1.29 . . . . 0.0 110.231 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.36 0 O-C-N 119.808 -1.807 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 121.252 0.549 . . . . 0.0 110.233 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.45 ' O ' ' HB2' ' A' ' 3' ' ' SER . . . 76.0 -72.52 1.83 Allowed Glycine 0 N--CA 1.489 2.206 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.45 ' HB2' ' O ' ' A' ' 2' ' ' GLY . 1.4 t -179.28 -165.77 0.08 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.269 -1.136 . . . . 0.0 110.221 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.5 mt -85.32 14.62 5.11 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.263 -0.898 . . . . 0.0 110.201 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.3 -56.0 10.9 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.232 -0.918 . . . . 0.0 110.174 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.589 HG23 ' N ' ' A' ' 7' ' ' PHE . 6.9 t -51.44 -44.09 62.25 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.267 -0.896 . . . . 0.0 110.155 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.589 ' N ' HG23 ' A' ' 6' ' ' THR . 0.1 OUTLIER -64.3 -62.83 1.36 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.218 -0.926 . . . . 0.0 110.183 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -49.04 -52.51 24.91 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.247 -0.908 . . . . 0.0 110.165 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.4 mmt180 -56.37 -54.01 50.61 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.287 -0.883 . . . . 0.0 110.137 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -51.28 -47.03 62.62 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.283 -0.886 . . . . 0.0 110.183 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -61.63 -50.58 71.98 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.247 -0.908 . . . . 0.0 110.146 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.418 ' O ' ' OG1' ' A' ' 16' ' ' THR . 21.4 m120 -60.31 -53.77 53.69 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.247 -0.908 . . . . 0.0 110.175 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.59 -54.62 41.79 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.232 -0.918 . . . . 0.0 110.147 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 18.8 p -56.2 -40.52 74.14 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.251 -0.906 . . . . 0.0 110.147 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -62.72 -51.7 66.13 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.273 -0.892 . . . . 0.0 110.198 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' A' ' 12' ' ' ASN . 0.2 OUTLIER -64.42 -46.14 84.52 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.16 -0.962 . . . . 0.0 110.228 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -60.81 -41.83 96.47 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.246 -0.909 . . . . 0.0 110.191 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.84 -58.57 3.72 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.271 -0.893 . . . . 0.0 110.173 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.4 tp -52.91 -20.17 3.14 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.29 -0.881 . . . . 0.0 110.239 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.53 0.31 70.33 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -135.63 -87.84 0.34 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.011 -1.287 . . . . 0.0 110.23 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.329 0 O-C-N 119.835 -1.79 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 12.1 t . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.246 0.546 . . . . 0.0 110.234 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 139.94 115.04 1.21 Allowed Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.636 -1.386 . . . . 0.0 109.636 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.0 m -115.08 -50.79 2.75 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.285 -1.126 . . . . 0.0 110.194 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 4' ' ' LEU . 10.9 tp -118.22 -42.42 2.79 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.281 -0.887 . . . . 0.0 110.231 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 6' ' ' THR . 19.0 m -45.33 -65.7 0.5 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.225 -0.922 . . . . 0.0 110.168 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 5' ' ' SER . 96.0 m -43.52 -58.76 2.46 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.342 -0.849 . . . . 0.0 110.211 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -50.58 -50.49 53.6 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.281 -0.887 . . . . 0.0 110.231 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.22 -53.93 46.89 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.322 -0.861 . . . . 0.0 110.224 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -55.1 -48.51 73.49 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.281 -0.887 . . . . 0.0 110.209 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.0 tp -56.76 -51.55 68.45 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.309 -0.869 . . . . 0.0 110.191 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.49 -52.39 65.59 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.269 -0.895 . . . . 0.0 110.245 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -55.06 -45.82 75.35 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.194 -0.941 . . . . 0.0 110.235 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.3 mmt180 -63.92 -50.57 68.16 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.253 -0.904 . . . . 0.0 110.224 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.1 t -55.21 -47.31 75.47 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.176 -0.953 . . . . 0.0 110.199 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.465 ' O ' ' HB2' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -65.38 -54.53 27.47 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.213 -0.929 . . . . 0.0 110.218 -179.929 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.8 m -51.17 -42.44 60.84 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.225 -0.922 . . . . 0.0 110.21 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -76.47 -59.84 2.6 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.269 -0.895 . . . . 0.0 110.188 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -44.56 -54.58 5.93 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.318 -0.864 . . . . 0.0 110.221 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.686 HD23 ' HB2' ' A' ' 21' ' ' LYS . 0.2 OUTLIER -51.35 -61.19 2.39 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.285 -0.884 . . . . 0.0 110.199 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.32 0.25 43.87 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.487 -1.445 . . . . 0.0 109.487 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.686 ' HB2' HD23 ' A' ' 19' ' ' LEU . 0.9 OUTLIER -104.62 77.22 1.35 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.053 -1.263 . . . . 0.0 110.229 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.301 0 O-C-N 119.838 -1.789 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.188 0.518 . . . . 0.0 110.281 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 108.58 -95.79 0.95 Allowed Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.566 -1.414 . . . . 0.0 109.566 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.445 ' O ' ' OG ' ' A' ' 3' ' ' SER . 3.0 t 53.96 54.88 9.07 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.232 -1.158 . . . . 0.0 110.177 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mp -78.14 -62.58 1.63 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.27 -0.893 . . . . 0.0 110.256 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.6 m -47.26 -58.52 4.01 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.248 -0.907 . . . . 0.0 110.207 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.0 p -46.63 -55.67 7.31 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.296 -0.877 . . . . 0.0 110.208 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -53.44 -56.35 17.61 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.3 -0.875 . . . . 0.0 110.195 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.57 -50.35 63.14 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.265 -0.897 . . . . 0.0 110.202 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.5 mmt-85 -57.9 -49.16 77.68 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.277 -0.889 . . . . 0.0 110.201 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.42 -52.25 65.35 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.269 -0.895 . . . . 0.0 110.192 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.79 -47.3 85.23 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.214 -0.929 . . . . 0.0 110.226 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -60.02 -50.55 73.27 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.298 -0.876 . . . . 0.0 110.211 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -58.02 -51.41 69.8 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.2 -0.938 . . . . 0.0 110.186 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.1 m -57.38 -46.01 83.87 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.258 -0.901 . . . . 0.0 110.202 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.639 ' O ' HD23 ' A' ' 19' ' ' LEU . 86.2 t80 -61.16 -54.93 38.26 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.137 -0.977 . . . . 0.0 110.185 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 38.1 m -56.32 -38.63 71.57 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.244 -0.91 . . . . 0.0 110.212 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.493 ' O ' ' N ' ' A' ' 21' ' ' LYS . 1.6 mm-40 -73.38 -58.1 3.54 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.276 -0.89 . . . . 0.0 110.184 -179.956 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.38 -34.47 57.77 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.22 -0.925 . . . . 0.0 110.2 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.639 HD23 ' O ' ' A' ' 15' ' ' PHE . 2.8 mm? -64.53 -51.43 62.93 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.241 -0.912 . . . . 0.0 110.151 -179.941 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -91.22 0.17 74.86 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.543 -1.423 . . . . 0.0 109.543 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 17' ' ' GLN . 9.0 tttt -138.41 81.83 1.87 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.966 -1.314 . . . . 0.0 110.233 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.331 0 O-C-N 119.835 -1.791 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 12.9 m . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 121.249 0.547 . . . . 0.0 110.241 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -107.94 26.44 17.43 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.536 -1.426 . . . . 0.0 109.536 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -112.98 -154.95 0.55 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.233 -1.157 . . . . 0.0 110.249 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.546 ' CA ' ' HB2' ' A' ' 8' ' ' PHE . 0.2 OUTLIER 49.74 -145.31 0.44 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.224 -0.922 . . . . 0.0 110.216 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.9 m 52.67 -178.36 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.259 -0.901 . . . . 0.0 110.28 179.919 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 7' ' ' PHE . 3.3 m -47.86 -49.24 30.12 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.361 -0.837 . . . . 0.0 110.206 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.432 ' C ' ' O ' ' A' ' 6' ' ' THR . 0.3 OUTLIER -42.81 -65.06 0.52 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.266 -0.896 . . . . 0.0 110.084 -179.948 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.546 ' HB2' ' CA ' ' A' ' 4' ' ' LEU . 2.6 t80 -58.49 -47.22 84.82 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.26 -0.9 . . . . 0.0 110.028 179.879 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.453 ' O ' ' HD3' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -57.02 -46.81 82.09 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.233 -0.917 . . . . 0.0 110.09 179.862 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.462 ' O ' ' HB3' ' A' ' 14' ' ' SER . 0.1 OUTLIER -62.93 -45.33 92.98 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.333 -0.855 . . . . 0.0 110.066 179.883 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.452 ' O ' ' HB2' ' A' ' 15' ' ' PHE . 0.9 OUTLIER -58.68 -50.17 74.87 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.287 -0.883 . . . . 0.0 110.111 179.918 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.508 ' ND2' ' O ' ' A' ' 8' ' ' PHE . 40.1 m-80 -63.05 -55.93 21.28 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.231 -0.918 . . . . 0.0 110.132 179.935 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.453 ' HD3' ' O ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -55.04 -49.22 72.11 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.219 -0.926 . . . . 0.0 110.162 179.954 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.462 ' HB3' ' O ' ' A' ' 10' ' ' LEU . 3.7 t -58.54 -47.54 83.85 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.303 -0.873 . . . . 0.0 110.166 179.903 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.452 ' HB2' ' O ' ' A' ' 11' ' ' PHE . 0.1 OUTLIER -57.9 -50.36 73.59 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.176 -0.952 . . . . 0.0 110.154 179.917 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.3 m -59.67 -44.49 93.58 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.322 -0.862 . . . . 0.0 110.151 179.949 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -69.64 -53.64 17.74 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.257 -0.902 . . . . 0.0 110.187 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.08 -44.8 67.82 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.198 -0.939 . . . . 0.0 110.178 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.452 HD12 ' O ' ' A' ' 15' ' ' PHE . 34.6 mt -57.61 -45.45 85.33 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.361 -0.837 . . . . 0.0 110.144 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.421 ' C ' ' HG3' ' A' ' 21' ' ' LYS . . . 77.91 0.16 74.41 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.421 ' HG3' ' C ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -135.05 171.73 14.01 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.065 -1.256 . . . . 0.0 110.208 -179.927 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.374 0 O-C-N 119.823 -1.798 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 33.0 t . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.18 0.515 . . . . 0.0 110.162 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -73.71 88.31 0.64 Allowed Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.96 95.43 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.199 -1.177 . . . . 0.0 110.204 179.947 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -150.57 -69.23 0.19 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.24 -0.912 . . . . 0.0 110.237 179.946 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 6' ' ' THR . 1.6 t -61.57 -73.59 0.1 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.19 -0.944 . . . . 0.0 110.246 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 5' ' ' SER . 74.5 p -42.99 -42.19 3.69 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.262 -0.899 . . . . 0.0 110.194 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -59.77 -59.48 5.37 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.161 -0.962 . . . . 0.0 110.188 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -55.69 -46.73 77.56 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.212 -0.93 . . . . 0.0 110.217 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.0 ttt85 -56.33 -52.46 64.48 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.256 -0.902 . . . . 0.0 110.168 -179.953 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.85 -48.55 80.96 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.281 -0.887 . . . . 0.0 110.231 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -55.89 -47.92 76.55 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.251 -0.906 . . . . 0.0 110.269 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -63.22 -56.77 13.81 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.217 -0.927 . . . . 0.0 110.206 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.91 -46.63 52.12 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.229 -0.919 . . . . 0.0 110.295 179.959 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 t -63.56 -50.87 67.8 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.249 -0.907 . . . . 0.0 110.262 179.879 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.15 -47.8 82.94 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.249 -0.907 . . . . 0.0 110.239 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.8 m -62.85 -43.18 99.47 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.269 -0.894 . . . . 0.0 110.27 179.899 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -63.3 -48.44 78.05 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.259 -0.901 . . . . 0.0 110.188 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.1 -45.01 94.05 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.358 -0.839 . . . . 0.0 110.229 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.427 HD23 ' C ' ' A' ' 19' ' ' LEU . 7.7 tt -52.31 -42.01 63.44 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.211 -0.93 . . . . 0.0 110.195 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -78.98 0.12 80.0 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.629 -1.388 . . . . 0.0 109.629 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -125.67 42.96 3.18 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.964 -1.315 . . . . 0.0 110.233 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.335 0 O-C-N 119.862 -1.774 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.192 0.52 . . . . 0.0 110.289 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -81.32 -155.74 14.03 Favored Glycine 0 N--CA 1.488 2.156 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.491 ' OG ' ' N ' ' A' ' 4' ' ' LEU . 30.1 t -117.35 -149.16 0.44 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.193 -1.18 . . . . 0.0 110.261 179.943 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.491 ' N ' ' OG ' ' A' ' 3' ' ' SER . 1.2 mp -119.93 6.31 10.88 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.271 -0.893 . . . . 0.0 110.228 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 4' ' ' LEU . 5.0 t -43.34 -58.46 2.54 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.262 -0.899 . . . . 0.0 110.189 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.22 -61.83 1.93 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.313 -0.867 . . . . 0.0 110.173 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -47.18 -62.35 1.46 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.26 -0.9 . . . . 0.0 110.251 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -48.1 -51.41 24.67 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.3 -0.875 . . . . 0.0 110.15 179.946 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.73 -52.23 50.12 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.24 -0.912 . . . . 0.0 110.108 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.42 -44.32 89.02 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.204 -0.935 . . . . 0.0 110.23 179.878 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.551 ' CZ ' ' CE1' ' A' ' 15' ' ' PHE . 60.8 t80 -58.36 -54.87 42.13 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.24 -0.913 . . . . 0.0 110.225 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -58.09 -49.09 78.13 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.308 -0.87 . . . . 0.0 110.184 179.923 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.29 -53.33 55.17 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.232 -0.917 . . . . 0.0 110.19 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.33 -42.83 92.38 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.258 -0.902 . . . . 0.0 110.132 179.942 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.551 ' CE1' ' CZ ' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -58.44 -51.8 68.29 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.321 -0.862 . . . . 0.0 110.237 179.952 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.4 p -62.78 -43.85 97.73 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.248 -0.907 . . . . 0.0 110.218 179.95 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.99 -48.66 79.33 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.295 -0.878 . . . . 0.0 110.181 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.18 -45.41 91.89 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.223 -0.923 . . . . 0.0 110.249 179.98 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.17 -42.67 95.5 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.228 -0.92 . . . . 0.0 110.196 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 115.16 0.22 22.43 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 45.5 87.76 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.072 -1.252 . . . . 0.0 110.208 179.94 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.354 0 O-C-N 119.839 -1.788 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 11.2 t . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 121.32 0.581 . . . . 0.0 110.194 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 161.89 157.3 8.82 Favored Glycine 0 N--CA 1.492 2.386 0 N-CA-C 109.501 -1.439 . . . . 0.0 109.501 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.7 t -56.11 -67.63 0.28 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.274 -1.133 . . . . 0.0 110.18 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.504 ' HB3' ' HB3' ' A' ' 7' ' ' PHE . 1.1 mt -116.83 43.53 2.24 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.245 -0.91 . . . . 0.0 110.262 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -42.89 -74.25 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.276 -0.89 . . . . 0.0 110.178 179.998 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 5' ' ' SER . 0.2 OUTLIER -43.69 -58.31 2.75 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.22 -0.925 . . . . 0.0 110.235 179.976 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.504 ' HB3' ' HB3' ' A' ' 4' ' ' LEU . 3.9 t80 -50.79 -62.02 1.86 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.247 -0.908 . . . . 0.0 110.173 -179.947 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.463 ' HB2' ' O ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -44.94 -54.64 6.28 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.251 -0.906 . . . . 0.0 110.214 -179.993 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.85 -57.29 10.72 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.191 -0.943 . . . . 0.0 110.189 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 mp -51.48 -49.48 61.71 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.219 -0.925 . . . . 0.0 110.188 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.98 -46.43 89.48 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.274 -0.891 . . . . 0.0 110.193 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -57.99 -53.56 56.81 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.248 -0.907 . . . . 0.0 110.207 180.0 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.53 -48.08 82.02 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.15 -0.969 . . . . 0.0 110.146 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 88.3 p -57.71 -43.92 85.57 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.228 -0.92 . . . . 0.0 110.18 -179.956 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -64.73 -52.2 58.34 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.274 -0.891 . . . . 0.0 110.228 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.8 m -63.59 -46.44 85.79 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.242 -0.911 . . . . 0.0 110.242 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -45.06 93.87 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.322 -0.861 . . . . 0.0 110.168 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.86 -46.68 83.9 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.171 -0.956 . . . . 0.0 110.218 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.8 tp -56.69 -34.14 67.12 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.215 -0.928 . . . . 0.0 110.221 179.921 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.415 ' O ' ' CG ' ' A' ' 21' ' ' LYS . . . -81.62 0.19 88.41 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 -179.94 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.415 ' CG ' ' O ' ' A' ' 20' ' ' GLY . 0.1 OUTLIER 175.9 -74.95 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.014 -1.286 . . . . 0.0 110.2 179.976 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.302 0 O-C-N 119.841 -1.787 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 69.2 m . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.214 0.53 . . . . 0.0 110.22 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 170.91 -151.26 15.46 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.524 -1.43 . . . . 0.0 109.524 -179.916 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.5 t -147.56 106.66 3.86 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.285 -1.126 . . . . 0.0 110.204 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 mp -106.71 -30.28 9.06 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.184 -0.947 . . . . 0.0 110.209 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.446 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -52.99 -56.09 18.65 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.245 -0.909 . . . . 0.0 110.205 -179.958 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.48 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 60.2 p -42.99 -60.29 1.68 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.255 -0.903 . . . . 0.0 110.219 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.9 -47.39 77.54 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.245 -0.909 . . . . 0.0 110.128 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -60.55 -69.4 0.23 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.257 -0.902 . . . . 0.0 110.189 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.512 ' HG3' ' N ' ' A' ' 10' ' ' LEU . 9.4 ptm180 -46.33 -36.78 6.65 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.221 -0.924 . . . . 0.0 110.192 179.942 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.512 ' N ' ' HG3' ' A' ' 9' ' ' ARG . 0.8 OUTLIER -64.1 -57.19 10.33 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.197 -0.94 . . . . 0.0 110.121 179.957 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -57.21 -47.44 81.3 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.268 -0.895 . . . . 0.0 110.132 179.923 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.431 ' O ' HG23 ' A' ' 16' ' ' THR . 19.5 t-20 -58.28 -54.63 44.79 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.301 -0.875 . . . . 0.0 110.091 179.926 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.448 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -54.53 -50.88 66.82 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.256 -0.903 . . . . 0.0 110.136 179.966 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.8 m -56.99 -42.91 81.12 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.307 -0.87 . . . . 0.0 110.123 179.911 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -62.32 -49.64 74.81 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.275 -0.891 . . . . 0.0 110.126 179.947 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.431 HG23 ' O ' ' A' ' 12' ' ' ASN . 66.6 p -60.35 -43.31 96.62 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.226 -0.921 . . . . 0.0 110.173 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.448 ' HG2' ' O ' ' A' ' 13' ' ' ARG . 50.1 mm-40 -63.31 -53.02 59.31 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.301 -0.874 . . . . 0.0 110.168 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.424 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -66.84 -50.2 63.3 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.246 -0.909 . . . . 0.0 110.205 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.5 tt -53.64 -23.2 10.46 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.318 -0.864 . . . . 0.0 110.127 -179.957 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 21' ' ' LYS . . . -107.32 0.23 35.11 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 -179.938 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 18' ' ' ALA . 1.2 ttpp -44.13 165.14 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.968 -1.313 . . . . 0.0 110.174 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.317 0 O-C-N 119.79 -1.819 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 121.201 0.524 . . . . 0.0 110.196 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -129.9 173.4 19.81 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.9 m -125.2 57.18 1.31 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.239 -1.153 . . . . 0.0 110.178 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.93 -11.28 51.1 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.227 -0.921 . . . . 0.0 110.259 179.936 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -45.33 -47.34 13.27 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.283 -0.886 . . . . 0.0 110.252 179.945 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -50.57 -66.75 0.33 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.297 -0.877 . . . . 0.0 110.217 179.952 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -53.89 -55.33 27.81 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.237 -0.914 . . . . 0.0 110.212 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -52.35 -57.06 10.98 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.268 -0.895 . . . . 0.0 110.254 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.87 -46.08 74.68 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.214 -0.929 . . . . 0.0 110.22 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.3 tp -55.91 -54.79 40.36 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.248 -0.908 . . . . 0.0 110.195 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -57.96 -53.18 61.15 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.272 -0.893 . . . . 0.0 110.226 179.944 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 -53.67 -53.62 49.41 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.245 -0.91 . . . . 0.0 110.178 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -55.39 -47.55 75.69 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.207 -0.933 . . . . 0.0 110.145 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.6 t -57.02 -51.09 70.65 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.258 -0.901 . . . . 0.0 110.214 179.913 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -59.24 -43.61 92.4 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.194 -0.941 . . . . 0.0 110.129 179.995 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.1 m -62.04 -48.9 78.18 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.264 -0.898 . . . . 0.0 110.147 -179.935 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.44 -46.7 88.98 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.273 -0.892 . . . . 0.0 110.219 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.461 ' O ' ' O ' ' A' ' 21' ' ' LYS . . . -65.42 -48.88 71.25 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.229 -0.92 . . . . 0.0 110.203 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.53 HD23 ' C ' ' A' ' 19' ' ' LEU . 6.1 tt -54.17 -33.21 57.53 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.317 -0.864 . . . . 0.0 110.231 179.958 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.24 0.22 64.13 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.561 -1.416 . . . . 0.0 109.561 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.461 ' O ' ' O ' ' A' ' 18' ' ' ALA . 5.8 mtpp -143.7 150.92 39.39 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.022 -1.281 . . . . 0.0 110.238 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.329 0 O-C-N 119.896 -1.753 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 44.0 p . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.257 0.551 . . . . 0.0 110.25 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.438 ' O ' ' CB ' ' A' ' 3' ' ' SER . . . 95.14 -156.43 21.75 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.565 -1.414 . . . . 0.0 109.565 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.438 ' CB ' ' O ' ' A' ' 2' ' ' GLY . 0.1 OUTLIER 172.5 -163.83 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.257 -1.143 . . . . 0.0 110.168 179.989 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 63.27 16.26 9.3 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.287 -0.883 . . . . 0.0 110.222 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -46.16 -62.44 1.33 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.212 -0.93 . . . . 0.0 110.182 179.932 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -46.78 -54.3 10.09 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.255 -0.903 . . . . 0.0 110.186 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.18 -52.07 60.03 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.246 -0.909 . . . . 0.0 110.205 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -54.11 -53.75 48.94 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.276 -0.89 . . . . 0.0 110.211 179.959 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -54.26 -51.15 65.44 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.219 -0.926 . . . . 0.0 110.175 179.921 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.37 -46.99 76.47 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.216 -0.928 . . . . 0.0 110.139 -179.937 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.415 ' CE1' ' CD2' ' A' ' 15' ' ' PHE . 50.5 t80 -60.06 -50.3 74.27 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.251 -0.905 . . . . 0.0 110.143 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.415 ' O ' HG23 ' A' ' 16' ' ' THR . 5.6 t-20 -57.42 -46.03 83.97 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.213 -0.93 . . . . 0.0 110.176 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.455 ' O ' ' OG1' ' A' ' 16' ' ' THR . 0.1 OUTLIER -63.04 -54.28 40.65 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.294 -0.879 . . . . 0.0 110.239 179.971 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.55 -47.53 69.94 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.297 -0.877 . . . . 0.0 110.191 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.467 ' O ' ' HB2' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -65.03 -49.88 68.42 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.214 -0.929 . . . . 0.0 110.266 179.92 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.455 ' OG1' ' O ' ' A' ' 13' ' ' ARG . 6.8 p -53.62 -43.57 68.81 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.321 -0.862 . . . . 0.0 110.225 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -69.8 -53.55 17.72 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.304 -0.872 . . . . 0.0 110.149 -179.999 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.51 -44.73 76.89 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.229 -0.919 . . . . 0.0 110.234 -179.957 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.763 HD13 ' CG ' ' A' ' 21' ' ' LYS . 0.3 OUTLIER -51.4 -56.86 10.88 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.219 -0.926 . . . . 0.0 110.187 179.995 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.13 0.25 31.48 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.763 ' CG ' HD13 ' A' ' 19' ' ' LEU . 18.7 mmtp -62.83 -179.96 0.32 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.1 -1.235 . . . . 0.0 110.183 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.307 0 O-C-N 119.904 -1.748 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 85.1 p . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.217 0.532 . . . . 0.0 110.174 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -128.04 172.74 19.05 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 179.988 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.2 t -160.03 53.84 0.35 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.291 -1.123 . . . . 0.0 110.265 -179.928 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 5' ' ' SER . 0.2 OUTLIER -126.51 15.97 7.63 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.282 -0.886 . . . . 0.0 110.203 -179.962 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.451 ' O ' ' CB ' ' A' ' 9' ' ' ARG . 39.2 p -44.57 -54.63 5.9 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.204 -0.935 . . . . 0.0 110.185 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.418 ' N ' ' OG ' ' A' ' 5' ' ' SER . 41.1 m -54.44 -61.13 2.5 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.311 -0.868 . . . . 0.0 110.224 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.06 -66.06 0.45 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.288 -0.883 . . . . 0.0 110.173 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -49.44 -57.55 6.78 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.224 -0.922 . . . . 0.0 110.249 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.451 ' CB ' ' O ' ' A' ' 5' ' ' SER . 0.2 OUTLIER -50.23 -50.58 49.41 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.171 -0.956 . . . . 0.0 110.244 179.998 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.27 -54.57 41.83 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.258 -0.901 . . . . 0.0 110.214 179.942 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.68 -53.88 45.81 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.211 -0.931 . . . . 0.0 110.217 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 57.2 m-20 -53.35 -51.42 62.51 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.289 -0.882 . . . . 0.0 110.183 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.5 ttp180 -55.79 -56.03 25.4 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.224 -0.923 . . . . 0.0 110.227 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.39 -41.73 66.23 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.272 -0.892 . . . . 0.0 110.212 179.949 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.428 ' O ' ' CB ' ' A' ' 19' ' ' LEU . 0.1 OUTLIER -63.2 -48.74 77.06 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.32 -0.863 . . . . 0.0 110.216 179.957 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.7 m -61.7 -40.14 93.98 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.204 -0.935 . . . . 0.0 110.228 179.958 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -66.86 -55.35 15.13 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.259 -0.901 . . . . 0.0 110.216 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.19 -50.59 65.31 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.231 -0.918 . . . . 0.0 110.253 179.953 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.428 ' CB ' ' O ' ' A' ' 15' ' ' PHE . 46.3 tp -54.62 -32.12 58.36 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.172 -0.955 . . . . 0.0 110.221 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -86.2 0.23 87.24 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.19 -60.5 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.085 -1.244 . . . . 0.0 110.202 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.365 0 O-C-N 119.852 -1.78 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 N--CA 1.493 1.689 0 CA-C-O 121.281 0.562 . . . . 0.0 110.188 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -170.43 -70.63 0.04 OUTLIER Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.507 -1.437 . . . . 0.0 109.507 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.56 58.44 4.34 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.249 -1.148 . . . . 0.0 110.226 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 5' ' ' SER . 0.9 OUTLIER -102.49 1.98 35.79 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.262 -0.899 . . . . 0.0 110.179 -179.953 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 4' ' ' LEU . 61.1 m -43.25 -68.25 0.21 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.216 -0.927 . . . . 0.0 110.179 -179.959 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.629 ' O ' HD13 ' A' ' 10' ' ' LEU . 2.3 p -43.78 -61.64 1.36 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.246 -0.908 . . . . 0.0 110.172 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -45.62 -63.9 0.85 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.237 -0.915 . . . . 0.0 110.207 -179.944 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -45.16 -57.18 4.1 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.264 -0.897 . . . . 0.0 110.2 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.54 -48.23 63.1 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.265 -0.897 . . . . 0.0 110.254 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.629 HD13 ' O ' ' A' ' 6' ' ' THR . 8.2 mp -56.98 -52.55 64.79 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.243 -0.91 . . . . 0.0 110.231 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.6 -53.06 62.03 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.258 -0.901 . . . . 0.0 110.219 179.956 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.469 ' O ' HG23 ' A' ' 16' ' ' THR . 3.8 t-20 -53.78 -50.57 65.78 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.238 -0.914 . . . . 0.0 110.186 -179.95 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.442 ' O ' ' HB2' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -57.4 -53.36 58.98 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.225 -0.922 . . . . 0.0 110.202 -179.953 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 59.4 m -53.43 -51.76 61.61 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.235 -0.916 . . . . 0.0 110.226 -179.963 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -57.23 -57.11 14.07 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.318 -0.864 . . . . 0.0 110.193 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.469 HG23 ' O ' ' A' ' 12' ' ' ASN . 64.2 p -53.42 -48.62 68.58 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.155 -0.965 . . . . 0.0 110.138 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.442 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -55.94 -56.29 22.45 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.207 -0.933 . . . . 0.0 110.211 179.954 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.99 -64.53 0.92 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.28 -0.887 . . . . 0.0 110.181 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.418 ' HA ' HD22 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -56.72 -16.38 6.31 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.279 -0.888 . . . . 0.0 110.258 -179.964 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -100.22 0.28 55.95 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.658 -1.377 . . . . 0.0 109.658 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.7 mtpt 53.82 62.44 2.61 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.038 -1.272 . . . . 0.0 110.184 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.377 0 O-C-N 119.923 -1.735 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.257 0.551 . . . . 0.0 110.223 . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -97.01 148.96 19.17 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 179.925 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.416 ' O ' ' HB2' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -124.39 -52.5 1.72 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.272 -1.134 . . . . 0.0 110.182 179.993 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 8' ' ' PHE . 0.2 OUTLIER 178.03 157.82 0.43 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.251 -0.906 . . . . 0.0 110.184 179.991 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 4' ' ' LEU . 12.2 t -42.9 -64.46 0.62 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.242 -0.911 . . . . 0.0 110.252 179.918 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.26 -56.25 20.19 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.303 -0.873 . . . . 0.0 110.256 179.967 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -56.34 -59.18 5.33 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.257 -0.902 . . . . 0.0 110.166 179.948 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.462 ' N ' ' O ' ' A' ' 4' ' ' LEU . 4.7 t80 -46.37 -59.18 3.1 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.26 -0.9 . . . . 0.0 110.182 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.85 -43.85 66.36 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.23 -0.919 . . . . 0.0 110.124 179.964 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.551 HD23 ' O ' ' A' ' 10' ' ' LEU . 1.7 tt -57.5 -53.48 57.62 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.285 -0.884 . . . . 0.0 110.207 179.988 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.96 -46.07 88.95 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.126 -0.984 . . . . 0.0 110.144 179.998 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 36.6 t30 -57.56 -58.24 9.18 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.3 -0.875 . . . . 0.0 110.125 179.999 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.33 -52.6 62.96 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.242 -0.912 . . . . 0.0 110.156 -179.951 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.433 ' HB2' ' O ' ' A' ' 10' ' ' LEU . 0.6 OUTLIER -52.25 -45.38 65.35 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.284 -0.885 . . . . 0.0 110.209 179.939 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.45 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 2.4 m-85 -63.13 -52.32 63.0 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.312 -0.868 . . . . 0.0 110.163 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -57.4 -49.89 74.74 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.246 -0.909 . . . . 0.0 110.152 -179.982 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -60.83 -42.23 97.33 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.263 -0.898 . . . . 0.0 110.261 179.942 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.51 -45.16 94.26 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.279 -0.888 . . . . 0.0 110.22 179.937 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' ' 19' ' ' LEU . 38.3 mt -52.7 -55.46 22.47 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.235 -0.915 . . . . 0.0 110.144 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 125.54 0.16 7.93 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 -179.951 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -85.53 162.15 19.03 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.994 -1.297 . . . . 0.0 110.129 -179.975 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.33 0 O-C-N 119.82 -1.8 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 42.6 p . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.237 0.541 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -119.1 -114.23 2.54 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 179.906 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.512 ' O ' ' N ' ' A' ' 5' ' ' SER . 0.7 OUTLIER 58.76 36.29 24.75 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.21 -1.171 . . . . 0.0 110.238 -179.965 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.581 ' HA ' ' CB ' ' A' ' 8' ' ' PHE . 0.1 OUTLIER 64.15 -70.58 0.07 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.276 -0.89 . . . . 0.0 110.245 -179.951 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.512 ' N ' ' O ' ' A' ' 3' ' ' SER . 0.9 OUTLIER 54.38 165.77 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.35 -0.843 . . . . 0.0 110.39 179.921 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.522 ' O ' ' CB ' ' A' ' 10' ' ' LEU . 24.0 m -50.73 -33.71 24.09 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.213 -0.929 . . . . 0.0 109.945 179.964 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -56.89 -60.06 4.12 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.323 -0.861 . . . . 0.0 109.998 179.889 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.581 ' CB ' ' HA ' ' A' ' 4' ' ' LEU . 13.1 t80 -64.58 -47.44 78.67 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.215 -0.928 . . . . 0.0 109.945 179.838 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.532 ' HG3' ' CD2' ' A' ' 4' ' ' LEU . 5.9 mtt180 -60.61 -41.29 94.5 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.333 -0.855 . . . . 0.0 110.066 179.866 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.522 ' CB ' ' O ' ' A' ' 6' ' ' THR . 4.8 tp -66.57 -50.02 64.5 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.193 -0.942 . . . . 0.0 110.186 179.889 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -59.95 -40.87 90.47 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.258 -0.901 . . . . 0.0 110.123 179.97 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.469 ' OD1' ' CE1' ' A' ' 8' ' ' PHE . 1.4 m120 -67.98 -51.71 44.21 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.184 -0.947 . . . . 0.0 110.18 179.997 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -59.12 -50.99 71.95 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.274 -0.891 . . . . 0.0 110.228 179.937 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.457 ' HB2' ' O ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -62.22 -46.67 87.82 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.284 -0.885 . . . . 0.0 110.176 179.999 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -60.63 -50.18 74.53 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.241 -0.912 . . . . 0.0 110.211 -179.999 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 50.7 m -60.18 -52.21 66.29 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.272 -0.892 . . . . 0.0 110.184 179.999 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.8 tm0? -62.35 -44.09 97.28 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.188 -0.945 . . . . 0.0 110.217 179.984 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.7 -51.64 69.08 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.186 -0.946 . . . . 0.0 110.22 -179.947 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.43 -50.84 68.76 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.265 -0.897 . . . . 0.0 110.216 179.973 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.98 0.05 81.52 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 179.962 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.72 20.47 3.0 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.014 -1.286 . . . . 0.0 110.228 -179.925 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.322 0 O-C-N 119.782 -1.824 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.5 p . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.186 0.517 . . . . 0.0 110.197 . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -85.45 172.71 47.18 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 -179.996 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.58 -163.08 1.34 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.215 -1.168 . . . . 0.0 110.122 -179.937 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.478 ' O ' ' N ' ' A' ' 8' ' ' PHE . 0.3 OUTLIER -158.88 162.85 36.97 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.215 -0.928 . . . . 0.0 110.202 -179.964 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.48 ' O ' ' HB2' ' A' ' 9' ' ' ARG . 37.6 t -43.08 -70.59 0.1 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.308 -0.87 . . . . 0.0 110.255 179.986 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.448 ' O ' ' HB2' ' A' ' 10' ' ' LEU . 0.2 OUTLIER -46.81 -61.68 1.74 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.281 -0.887 . . . . 0.0 110.244 179.943 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -53.73 -68.01 0.21 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.294 -0.879 . . . . 0.0 110.171 179.995 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.478 ' N ' ' O ' ' A' ' 4' ' ' LEU . 17.8 t80 -48.63 -59.11 3.78 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.237 -0.914 . . . . 0.0 110.165 -179.973 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.48 ' HB2' ' O ' ' A' ' 5' ' ' SER . 0.0 OUTLIER -52.53 -49.25 65.21 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.266 -0.896 . . . . 0.0 110.247 179.988 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.448 ' HB2' ' O ' ' A' ' 6' ' ' THR . 0.7 OUTLIER -52.82 -52.53 56.64 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.168 -0.958 . . . . 0.0 110.24 179.952 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -59.19 -52.17 66.83 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.284 -0.885 . . . . 0.0 110.176 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -55.86 -54.94 38.44 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.256 -0.902 . . . . 0.0 110.159 -179.979 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.485 ' HD2' ' N ' ' A' ' 14' ' ' SER . 0.7 OUTLIER -54.29 -52.97 59.77 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.206 -0.934 . . . . 0.0 110.192 -179.955 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.485 ' N ' ' HD2' ' A' ' 13' ' ' ARG . 0.4 OUTLIER -54.83 -42.37 71.85 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.356 -0.84 . . . . 0.0 110.215 179.94 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.46 -55.16 26.43 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.201 -0.937 . . . . 0.0 110.214 179.968 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.01 -39.05 92.87 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.25 -0.906 . . . . 0.0 110.217 179.963 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.446 ' HG3' ' HG2' ' A' ' 13' ' ' ARG . 7.7 mm-40 -64.76 -47.39 78.32 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.19 -0.944 . . . . 0.0 110.197 179.981 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.35 -55.11 11.37 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.292 -0.88 . . . . 0.0 110.236 179.989 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.402 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 0.9 OUTLIER -55.42 -18.65 7.28 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.286 -0.884 . . . . 0.0 110.221 -179.97 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.36 0.2 89.22 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.619 -1.392 . . . . 0.0 109.619 179.966 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.434 ' HA ' ' CE ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -76.83 -10.62 59.5 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.999 -1.295 . . . . 0.0 110.196 -179.988 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.294 0 O-C-N 119.824 -1.798 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.209 0.528 . . . . 0.0 110.181 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 92.65 62.5 1.14 Allowed Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 -179.996 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 4' ' ' LEU . 17.0 p -173.13 125.16 0.43 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.181 -1.187 . . . . 0.0 110.186 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.558 ' HA ' ' CB ' ' A' ' 8' ' ' PHE . 35.6 mt 44.02 -146.2 0.09 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.263 -0.898 . . . . 0.0 110.107 179.927 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 m 54.0 -177.67 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.292 -0.88 . . . . 0.0 110.338 -179.994 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -48.38 -49.58 34.15 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.343 -0.848 . . . . 0.0 110.166 179.965 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.42 ' C ' ' O ' ' A' ' 6' ' ' THR . 1.7 m-30 -43.08 -63.59 0.78 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.262 -0.899 . . . . 0.0 110.109 179.945 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.558 ' CB ' ' HA ' ' A' ' 4' ' ' LEU . 30.6 t80 -58.24 -45.87 86.99 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.295 -0.878 . . . . 0.0 109.979 179.892 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.407 ' NH1' ' HB2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -57.95 -49.35 77.1 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.317 -0.865 . . . . 0.0 110.064 179.872 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.416 HD13 ' HA ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -60.34 -50.95 71.59 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.253 -0.904 . . . . 0.0 110.091 179.897 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.73 -46.71 74.28 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.216 -0.928 . . . . 0.0 109.969 179.826 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -61.19 -51.5 68.76 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.221 -0.925 . . . . 0.0 110.074 179.83 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.407 ' HB2' ' NH1' ' A' ' 9' ' ' ARG . 2.4 ttm-85 -54.29 -51.78 63.53 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.288 -0.883 . . . . 0.0 110.142 179.887 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.7 t -58.13 -50.57 73.04 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.257 -0.902 . . . . 0.0 110.081 179.957 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.421 ' O ' ' HB2' ' A' ' 19' ' ' LEU . 2.8 m-85 -54.64 -43.91 72.73 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.289 -0.882 . . . . 0.0 110.21 179.978 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 92.4 m -64.92 -47.37 77.98 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.236 -0.915 . . . . 0.0 110.176 179.898 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.45 -45.52 88.4 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.265 -0.897 . . . . 0.0 110.186 179.976 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.54 -49.63 65.83 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.289 -0.882 . . . . 0.0 110.21 179.945 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.421 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 0.6 OUTLIER -53.62 -43.28 68.57 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.224 -0.923 . . . . 0.0 110.157 -179.973 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.407 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . 80.52 0.14 86.56 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.59 -1.404 . . . . 0.0 109.59 -179.948 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.407 ' CB ' ' O ' ' A' ' 20' ' ' GLY . 0.1 OUTLIER 63.6 55.66 1.69 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.093 -1.24 . . . . 0.0 110.247 -179.953 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.326 0 O-C-N 119.838 -1.789 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.488 1.444 0 CA-C-O 121.287 0.565 . . . . 2.5 110.185 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -51.27 -55.08 20.08 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.176 -0.953 . . . . 2.1499999999999999 110.267 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.4 ttt180 -53.13 -50.93 63.51 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.251 -0.906 . . . . 3.4900000000000002 110.211 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 1.527 ' CD2' ' CB ' ' A' ' 10' ' ' LEU . 0.2 OUTLIER -55.34 -50.45 69.61 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.229 -0.919 . . . . 1.6899999999999999 110.273 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.68 -51.05 71.13 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.134 -0.979 . . . . 2.1699999999999999 110.228 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 1.434 ' OD1' ' CB ' ' A' ' 12' ' ' ASN . 9.6 t30 -58.32 -51.62 69.03 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.169 -0.957 . . . . 1.76 110.23 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 1.343 ' CD ' ' CB ' ' A' ' 13' ' ' ARG . 2.5 ttt180 -57.09 -50.65 72.11 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.166 -0.959 . . . . 3.3999999999999999 110.233 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 1.131 ' OG ' ' HB2' ' A' ' 14' ' ' SER . 3.4 t -57.94 -47.77 81.91 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.188 -0.945 . . . . 1.27 110.224 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -60.35 -50.56 73.11 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.171 -0.956 . . . . 2.1200000000000001 110.238 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.71 -47.82 84.13 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.136 -0.977 . . . . 1.1100000000000001 110.251 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 1.305 ' CD ' ' CB ' ' A' ' 17' ' ' GLN . 6.2 tt0 . . . . . 0 C--N 1.297 -1.685 0 O-C-N 121.093 -1.004 . . . . 2.27 110.252 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 121.246 0.545 . . . . 0.0 110.181 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -52.04 -51.62 56.32 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.203 -0.936 . . . . 0.0 110.213 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -50.44 73.87 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.254 -0.904 . . . . 0.0 110.162 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.1 tp -53.43 -49.07 68.11 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.208 -0.932 . . . . 0.0 110.233 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.7 m-30 -63.02 -47.64 82.19 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.255 -0.903 . . . . 0.0 110.243 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -61.42 -47.71 84.52 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.254 -0.904 . . . . 0.0 110.213 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.52 -51.76 67.3 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.285 -0.884 . . . . 0.0 110.2 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 28.5 t -58.12 -44.99 88.03 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.234 -0.916 . . . . 0.0 110.226 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -64.79 -55.43 19.77 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.292 -0.88 . . . . 0.0 110.257 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.7 m -57.26 -52.29 65.91 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.241 -0.912 . . . . 0.0 110.23 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 N--CA 1.491 1.607 0 O-C-N 121.233 -0.917 . . . . 0.0 110.203 -179.98 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.1 t80 . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 121.188 0.518 . . . . 0.0 109.998 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -63.03 -45.72 90.96 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.224 -0.923 . . . . 0.0 109.898 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.445 ' O ' ' HB2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -58.91 -46.33 88.17 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.219 -0.926 . . . . 0.0 109.901 179.724 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 tp -63.63 -46.44 85.7 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.285 -0.884 . . . . 0.0 109.957 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.462 ' O ' ' HB2' ' A' ' 15' ' ' PHE . 0.2 OUTLIER -57.19 -49.53 75.7 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.309 -0.869 . . . . 0.0 110.102 179.793 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -63.33 -56.34 17.21 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.273 -0.892 . . . . 0.0 110.069 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.445 ' HB2' ' O ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -56.3 -46.69 79.7 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.303 -0.873 . . . . 0.0 110.081 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.478 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 97.5 p -59.29 -47.31 85.86 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.278 -0.888 . . . . 0.0 110.142 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.462 ' HB2' ' O ' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -60.41 -46.75 88.88 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.268 -0.895 . . . . 0.0 110.173 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.3 m -61.45 -57.76 10.91 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.245 -0.909 . . . . 0.0 110.188 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.478 ' HG2' ' O ' ' A' ' 14' ' ' SER . 12.9 pt20 . . . . . 0 N--CA 1.491 1.587 0 O-C-N 121.19 -0.944 . . . . 0.0 110.191 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 121.231 0.538 . . . . 0.0 110.191 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -46.44 -56.34 6.08 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.271 -0.893 . . . . 0.0 110.173 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.33 -55.32 19.05 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.231 -0.918 . . . . 0.0 110.18 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.452 ' HA ' HD13 ' A' ' 10' ' ' LEU . 0.4 OUTLIER -50.59 -53.78 27.9 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.29 -0.881 . . . . 0.0 110.131 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -53.83 -54.1 43.24 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.247 -0.908 . . . . 0.0 110.17 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -57.73 -41.91 82.8 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.258 -0.901 . . . . 0.0 110.23 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.9 -52.71 64.25 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.231 -0.918 . . . . 0.0 110.202 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.43 -46.82 88.64 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.191 -0.943 . . . . 0.0 110.13 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -59.8 -51.07 71.32 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.256 -0.903 . . . . 0.0 110.259 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.0 m -59.79 -53.49 57.31 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.315 -0.866 . . . . 0.0 110.25 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.401 ' O ' ' NE2' ' A' ' 17' ' ' GLN . 2.6 tm0? . . . . . 0 N--CA 1.491 1.624 0 O-C-N 121.294 -0.879 . . . . 0.0 110.198 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 121.219 0.533 . . . . 0.0 110.147 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -54.63 -59.5 4.63 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.248 -0.907 . . . . 0.0 110.104 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.26 -49.94 63.06 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.217 -0.927 . . . . 0.0 110.036 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.409 ' O ' ' CB ' ' A' ' 14' ' ' SER . 1.3 tt -56.32 -45.47 80.29 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.22 -0.925 . . . . 0.0 110.045 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.455 ' O ' ' HB2' ' A' ' 15' ' ' PHE . 7.0 t80 -60.73 -49.65 76.65 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.294 -0.879 . . . . 0.0 110.107 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -59.54 -58.29 9.23 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.304 -0.873 . . . . 0.0 110.14 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 21.6 ttp180 -58.45 -46.36 86.71 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.234 -0.916 . . . . 0.0 110.152 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.453 ' HG ' ' C ' ' A' ' 11' ' ' PHE . 88.0 p -56.93 -49.88 74.3 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.233 -0.917 . . . . 0.0 110.056 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.455 ' HB2' ' O ' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -60.64 -51.17 70.54 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.239 -0.913 . . . . 0.0 110.107 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 51.9 m -56.77 -48.0 78.85 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.158 -0.964 . . . . 0.0 110.073 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 . . . . . 0 N--CA 1.49 1.547 0 O-C-N 121.252 -0.905 . . . . 0.0 110.226 179.966 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.243 0.544 . . . . 0.0 110.214 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -55.97 -56.14 24.35 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.217 -0.927 . . . . 0.0 110.1 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -50.03 -52.86 30.9 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.236 -0.915 . . . . 0.0 110.147 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.4 tp -58.06 -48.66 79.45 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.246 -0.909 . . . . 0.0 110.121 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.431 ' O ' ' HB2' ' A' ' 15' ' ' PHE . 1.8 m-85 -53.68 -49.87 67.08 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.188 -0.945 . . . . 0.0 110.172 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -62.01 -53.09 60.38 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.235 -0.915 . . . . 0.0 110.121 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.401 ' O ' ' OG1' ' A' ' 16' ' ' THR . 1.0 OUTLIER -55.2 -58.88 5.89 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.307 -0.871 . . . . 0.0 110.23 179.874 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.7 t -53.16 -46.6 68.95 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.219 -0.926 . . . . 0.0 110.097 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.431 ' HB2' ' O ' ' A' ' 11' ' ' PHE . 1.6 m-85 -55.63 -53.34 57.71 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.203 -0.936 . . . . 0.0 110.189 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 13' ' ' ARG . 2.1 p -59.43 -39.99 85.32 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.249 -0.907 . . . . 0.0 110.215 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.188 -0.945 . . . . 0.0 110.27 179.887 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.493 1.703 0 CA-C-O 121.223 0.535 . . . . 0.0 110.2 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -55.27 -56.9 14.73 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.2 -0.938 . . . . 0.0 110.2 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.46 -54.0 43.3 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.27 -0.894 . . . . 0.0 110.208 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.8 tt -51.57 -50.02 60.92 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.241 -0.912 . . . . 0.0 110.205 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.1 -56.2 25.11 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.296 -0.877 . . . . 0.0 110.234 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.634 ' O ' HG23 ' A' ' 16' ' ' THR . 0.2 OUTLIER -50.44 -49.9 53.64 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.223 -0.923 . . . . 0.0 110.208 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.409 ' O ' ' HB2' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -58.6 -52.32 66.17 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.253 -0.904 . . . . 0.0 110.143 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.4 p -61.39 -45.16 95.52 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.334 -0.854 . . . . 0.0 110.272 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -58.01 -47.73 82.15 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.237 -0.914 . . . . 0.0 110.247 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.634 HG23 ' O ' ' A' ' 12' ' ' ASN . 72.3 p -66.49 -57.88 6.41 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.273 -0.892 . . . . 0.0 110.217 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.409 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.645 0 O-C-N 121.274 -0.891 . . . . 0.0 110.24 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 121.266 0.555 . . . . 0.0 110.175 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -46.41 -53.18 11.53 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.202 -0.936 . . . . 0.0 110.155 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.8 -56.12 15.8 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.151 -0.968 . . . . 0.0 110.191 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 10' ' ' LEU . 8.6 mt -53.07 -45.06 67.97 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.281 -0.887 . . . . 0.0 110.215 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -59.52 -57.55 12.46 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.189 -0.944 . . . . 0.0 110.248 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -56.89 -51.4 69.23 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.241 -0.912 . . . . 0.0 110.204 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.468 ' O ' ' HB2' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -55.44 -55.46 31.46 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.28 -0.887 . . . . 0.0 110.19 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.432 ' HB2' ' O ' ' A' ' 10' ' ' LEU . 0.9 OUTLIER -53.51 -49.24 67.98 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.28 -0.888 . . . . 0.0 110.201 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -66.51 -49.82 65.28 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.279 -0.888 . . . . 0.0 110.211 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 49.3 m -57.49 -52.75 64.13 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.154 -0.966 . . . . 0.0 110.128 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.468 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.655 0 O-C-N 121.216 -0.928 . . . . 0.0 110.196 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.273 0.559 . . . . 0.0 110.193 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -49.63 -60.69 2.64 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.24 -0.912 . . . . 0.0 110.161 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 43.6 ttt180 -52.92 -48.55 67.18 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.258 -0.901 . . . . 0.0 110.237 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 tt -52.13 -54.33 31.91 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.235 -0.916 . . . . 0.0 110.125 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.446 ' O ' ' HB2' ' A' ' 15' ' ' PHE . 0.3 OUTLIER -59.0 -51.37 70.36 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.244 -0.91 . . . . 0.0 110.195 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -53.61 -50.55 65.44 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.215 -0.928 . . . . 0.0 110.208 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.9 mmt-85 -60.3 -56.05 26.27 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.244 -0.91 . . . . 0.0 110.232 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.5 p -55.47 -43.21 75.29 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.288 -0.882 . . . . 0.0 110.231 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.446 ' HB2' ' O ' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -62.44 -45.74 91.72 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.325 -0.86 . . . . 0.0 110.204 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 32.6 m -63.97 -42.09 97.36 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.182 -0.949 . . . . 0.0 110.17 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 . . . . . 0 N--CA 1.49 1.573 0 O-C-N 121.24 -0.913 . . . . 0.0 110.262 179.945 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.244 0.545 . . . . 0.0 110.17 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -53.64 -66.53 0.38 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.236 -0.915 . . . . 0.0 110.221 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.536 ' HD2' ' NH2' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -46.71 -43.98 18.35 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.24 -0.912 . . . . 0.0 110.224 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.4 mt -57.85 -58.39 8.58 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.35 -0.844 . . . . 0.0 110.277 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -56.58 -46.11 80.98 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.264 -0.898 . . . . 0.0 110.123 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -58.63 -57.83 11.25 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.31 -0.869 . . . . 0.0 110.25 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.536 ' NH2' ' HD2' ' A' ' 9' ' ' ARG . 0.9 OUTLIER -54.25 -53.14 57.63 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.172 -0.955 . . . . 0.0 110.146 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.2 m -52.18 -52.68 50.56 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.328 -0.858 . . . . 0.0 110.216 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -67.04 -50.44 61.95 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.278 -0.889 . . . . 0.0 110.218 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.9 m -48.67 -59.28 3.66 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.245 -0.909 . . . . 0.0 110.254 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 N--CA 1.492 1.657 0 O-C-N 121.172 -0.955 . . . . 0.0 110.14 -179.99 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 121.271 0.557 . . . . 0.0 110.114 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -60.14 -43.57 95.62 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.232 -0.918 . . . . 0.0 109.838 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.2 ttm-85 -56.12 -48.43 76.22 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.313 -0.867 . . . . 0.0 109.978 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.45 -47.96 77.06 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.248 -0.908 . . . . 0.0 110.008 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.408 ' O ' ' HB2' ' A' ' 15' ' ' PHE . 0.5 OUTLIER -53.31 -47.69 69.05 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.262 -0.899 . . . . 0.0 110.037 179.856 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -66.95 -56.54 9.74 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.272 -0.892 . . . . 0.0 110.105 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.57 -40.37 71.89 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.202 -0.936 . . . . 0.0 110.053 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 28.9 t -66.46 -49.75 65.64 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.252 -0.905 . . . . 0.0 110.145 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.408 ' HB2' ' O ' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -58.18 -50.03 74.96 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.256 -0.902 . . . . 0.0 110.153 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.6 p -63.97 -45.11 90.58 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.158 -0.964 . . . . 0.0 110.219 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 43.3 tp60 . . . . . 0 N--CA 1.491 1.604 0 O-C-N 121.237 -0.915 . . . . 0.0 110.182 179.968 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.264 0.554 . . . . 0.0 110.168 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -53.98 -49.94 67.67 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.24 -0.912 . . . . 0.0 110.173 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.26 -54.33 44.76 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.239 -0.913 . . . . 0.0 110.177 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.495 ' HA ' HD22 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -55.85 -50.32 70.9 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.26 -0.9 . . . . 0.0 110.179 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -54.3 -49.53 69.43 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.232 -0.917 . . . . 0.0 110.221 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 34.4 t30 -59.84 -51.52 69.39 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.194 -0.941 . . . . 0.0 110.25 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.48 ' O ' ' HD3' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -53.96 -54.36 39.99 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.264 -0.898 . . . . 0.0 110.162 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.39 -44.72 84.73 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.269 -0.895 . . . . 0.0 110.129 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.5 -51.49 69.26 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.221 -0.924 . . . . 0.0 110.185 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 37.7 m -60.81 -48.57 81.19 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.294 -0.879 . . . . 0.0 110.155 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.647 0 O-C-N 121.3 -0.875 . . . . 0.0 110.213 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 121.248 0.547 . . . . 0.0 110.214 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -48.7 -57.84 5.67 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.266 -0.896 . . . . 0.0 110.155 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.83 -53.31 33.24 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.239 -0.913 . . . . 0.0 110.193 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -51.97 -56.61 13.14 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.287 -0.883 . . . . 0.0 110.194 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -53.8 -49.56 68.05 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.272 -0.892 . . . . 0.0 110.204 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -58.36 -46.1 86.95 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.257 -0.902 . . . . 0.0 110.202 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.432 ' CA ' ' NE ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -59.81 -49.99 75.55 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.298 -0.876 . . . . 0.0 110.178 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.55 -50.04 75.43 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.247 -0.908 . . . . 0.0 110.195 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.8 -45.44 86.07 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.22 -0.925 . . . . 0.0 110.185 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.1 m -65.62 -55.05 19.66 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.279 -0.888 . . . . 0.0 110.166 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 . . . . . 0 N--CA 1.491 1.598 0 O-C-N 121.267 -0.896 . . . . 0.0 110.216 -179.998 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 121.285 0.564 . . . . 0.0 110.228 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -51.68 -55.07 21.64 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.173 -0.955 . . . . 0.0 110.177 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 -49.94 -55.29 15.08 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.287 -0.883 . . . . 0.0 110.229 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.446 ' HA ' HD12 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -55.2 -44.94 75.81 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.239 -0.913 . . . . 0.0 110.236 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -58.15 -56.61 19.88 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.286 -0.884 . . . . 0.0 110.123 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -56.47 -53.8 53.17 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.193 -0.942 . . . . 0.0 110.2 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 -56.58 -47.23 79.99 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.229 -0.919 . . . . 0.0 110.1 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.5 t -56.75 -53.29 59.45 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.213 -0.93 . . . . 0.0 110.153 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -57.16 -50.37 73.04 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.251 -0.905 . . . . 0.0 110.176 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 53.2 m -57.23 -44.93 84.23 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.33 -0.857 . . . . 0.0 110.17 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.491 1.602 0 O-C-N 121.29 -0.882 . . . . 0.0 110.201 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 121.236 0.541 . . . . 0.0 110.241 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.535 ' CE1' ' OD1' ' A' ' 12' ' ' ASN . 49.1 t80 -60.5 -54.58 43.79 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.284 -0.885 . . . . 0.0 110.178 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.8 tpp180 -56.25 -46.5 79.58 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.241 -0.912 . . . . 0.0 110.225 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.96 -46.62 88.84 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.255 -0.903 . . . . 0.0 110.21 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -61.36 -52.12 65.96 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.282 -0.886 . . . . 0.0 110.238 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.535 ' OD1' ' CE1' ' A' ' 8' ' ' PHE . 7.8 m120 -60.67 -42.17 96.54 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.249 -0.907 . . . . 0.0 110.214 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.17 -55.33 22.56 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.237 -0.915 . . . . 0.0 110.172 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 92.9 p -56.97 -46.65 82.05 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.254 -0.904 . . . . 0.0 110.184 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -61.66 -50.55 72.05 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.234 -0.916 . . . . 0.0 110.199 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.5 m -57.41 -55.98 27.82 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.29 -0.881 . . . . 0.0 110.189 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 . . . . . 0 N--CA 1.492 1.625 0 O-C-N 121.29 -0.882 . . . . 0.0 110.198 -179.993 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.3 t80 . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.189 0.518 . . . . 0.0 109.967 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -62.12 -43.51 98.68 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.255 -0.903 . . . . 0.0 109.87 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -59.44 -47.89 83.73 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.217 -0.927 . . . . 0.0 109.962 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.8 tp -63.16 -47.31 83.22 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.215 -0.928 . . . . 0.0 109.989 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -56.72 -46.54 81.23 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.273 -0.892 . . . . 0.0 109.971 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -63.91 -52.41 60.01 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.276 -0.89 . . . . 0.0 110.072 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.35 -49.01 68.03 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.298 -0.876 . . . . 0.0 110.018 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 37.1 t -61.22 -52.0 66.62 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.319 -0.863 . . . . 0.0 110.098 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -55.11 -43.01 73.66 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.218 -0.926 . . . . 0.0 110.012 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.9 m -64.24 -50.47 67.87 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.267 -0.895 . . . . 0.0 110.152 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 . . . . . 0 N--CA 1.491 1.601 0 O-C-N 121.281 -0.887 . . . . 0.0 110.206 179.978 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 121.206 0.527 . . . . 0.0 110.069 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -58.64 -45.21 89.77 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.282 -0.886 . . . . 0.0 110.084 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.08 -48.26 80.68 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.301 -0.874 . . . . 0.0 110.164 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.4 tp -62.45 -50.93 69.5 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.297 -0.877 . . . . 0.0 110.122 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -55.22 -43.54 74.57 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.301 -0.874 . . . . 0.0 110.064 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.95 -48.95 69.61 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.317 -0.864 . . . . 0.0 110.167 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.6 ttt-85 -56.85 -53.65 55.49 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.275 -0.891 . . . . 0.0 110.201 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 91.2 p -62.39 -47.12 85.53 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.271 -0.893 . . . . 0.0 110.19 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -59.77 -44.36 93.91 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.239 -0.913 . . . . 0.0 110.207 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.9 m -65.62 -46.65 78.47 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.275 -0.891 . . . . 0.0 110.197 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 . . . . . 0 N--CA 1.491 1.598 0 O-C-N 121.306 -0.871 . . . . 0.0 110.179 -179.966 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.248 0.547 . . . . 0.0 110.212 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -45.98 -55.46 6.8 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.244 -0.91 . . . . 0.0 110.269 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -53.26 -58.71 6.13 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.23 -0.919 . . . . 0.0 110.174 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 mp -50.41 -44.98 55.3 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.281 -0.887 . . . . 0.0 110.167 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -60.9 -53.39 57.89 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.214 -0.929 . . . . 0.0 110.218 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.437 ' O ' ' OG1' ' A' ' 16' ' ' THR . 48.9 t-20 -55.14 -52.73 62.37 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.281 -0.887 . . . . 0.0 110.169 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.404 ' HD2' ' N ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -58.43 -57.56 12.38 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.32 -0.862 . . . . 0.0 110.223 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.404 ' N ' ' HD2' ' A' ' 13' ' ' ARG . 16.5 m -52.45 -47.22 66.55 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.222 -0.924 . . . . 0.0 110.171 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.487 ' CD1' ' C ' ' A' ' 15' ' ' PHE . 7.5 t80 -58.49 -55.87 29.49 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.299 -0.876 . . . . 0.0 110.188 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' A' ' 12' ' ' ASN . 0.7 OUTLIER -52.99 -51.92 60.01 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.28 -0.888 . . . . 0.0 110.243 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.585 0 O-C-N 121.282 -0.886 . . . . 0.0 110.292 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.233 0.54 . . . . 0.0 110.183 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -49.04 -52.51 24.91 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.247 -0.908 . . . . 0.0 110.165 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.4 mmt180 -56.37 -54.01 50.61 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.287 -0.883 . . . . 0.0 110.137 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -51.28 -47.03 62.62 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.283 -0.886 . . . . 0.0 110.183 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -61.63 -50.58 71.98 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.247 -0.908 . . . . 0.0 110.146 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.418 ' O ' ' OG1' ' A' ' 16' ' ' THR . 21.4 m120 -60.31 -53.77 53.69 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.247 -0.908 . . . . 0.0 110.175 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.59 -54.62 41.79 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.232 -0.918 . . . . 0.0 110.147 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 18.8 p -56.2 -40.52 74.14 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.251 -0.906 . . . . 0.0 110.147 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -62.72 -51.7 66.13 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.273 -0.892 . . . . 0.0 110.198 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' A' ' 12' ' ' ASN . 0.2 OUTLIER -64.42 -46.14 84.52 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.16 -0.962 . . . . 0.0 110.228 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 . . . . . 0 N--CA 1.491 1.596 0 O-C-N 121.246 -0.909 . . . . 0.0 110.191 179.951 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.229 0.538 . . . . 0.0 110.231 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.22 -53.93 46.89 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.322 -0.861 . . . . 0.0 110.224 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -55.1 -48.51 73.49 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.281 -0.887 . . . . 0.0 110.209 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.0 tp -56.76 -51.55 68.45 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.309 -0.869 . . . . 0.0 110.191 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.49 -52.39 65.59 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.269 -0.895 . . . . 0.0 110.245 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -55.06 -45.82 75.35 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.194 -0.941 . . . . 0.0 110.235 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.3 mmt180 -63.92 -50.57 68.16 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.253 -0.904 . . . . 0.0 110.224 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.1 t -55.21 -47.31 75.47 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.176 -0.953 . . . . 0.0 110.199 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.38 -54.53 27.47 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.213 -0.929 . . . . 0.0 110.218 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.8 m -51.17 -42.44 60.84 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.225 -0.922 . . . . 0.0 110.21 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 . . . . . 0 N--CA 1.491 1.603 0 O-C-N 121.269 -0.895 . . . . 0.0 110.188 179.974 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 8.4 t80 . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.269 0.557 . . . . 0.0 110.195 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.57 -50.35 63.14 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.265 -0.897 . . . . 0.0 110.202 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.5 mmt-85 -57.9 -49.16 77.68 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.277 -0.889 . . . . 0.0 110.201 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.42 -52.25 65.35 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.269 -0.895 . . . . 0.0 110.192 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.79 -47.3 85.23 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.214 -0.929 . . . . 0.0 110.226 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -60.02 -50.55 73.27 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.298 -0.876 . . . . 0.0 110.211 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -58.02 -51.41 69.8 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.2 -0.938 . . . . 0.0 110.186 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.1 m -57.38 -46.01 83.87 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.258 -0.901 . . . . 0.0 110.202 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -61.16 -54.93 38.26 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.137 -0.977 . . . . 0.0 110.185 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 38.1 m -56.32 -38.63 71.57 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.244 -0.91 . . . . 0.0 110.212 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 . . . . . 0 N--CA 1.491 1.608 0 O-C-N 121.276 -0.89 . . . . 0.0 110.184 -179.956 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.187 0.518 . . . . 0.0 110.084 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.455 ' O ' ' OD1' ' A' ' 12' ' ' ASN . 2.6 t80 -58.49 -47.22 84.82 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.26 -0.9 . . . . 0.0 110.028 179.879 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.453 ' O ' ' HD3' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -57.02 -46.81 82.09 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.233 -0.917 . . . . 0.0 110.09 179.862 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.462 ' O ' ' HB3' ' A' ' 14' ' ' SER . 0.1 OUTLIER -62.93 -45.33 92.98 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.333 -0.855 . . . . 0.0 110.066 179.883 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.452 ' O ' ' HB2' ' A' ' 15' ' ' PHE . 0.9 OUTLIER -58.68 -50.17 74.87 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.287 -0.883 . . . . 0.0 110.111 179.918 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.455 ' OD1' ' O ' ' A' ' 8' ' ' PHE . 17.8 m120 -63.05 -55.93 21.28 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.231 -0.918 . . . . 0.0 110.132 179.935 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.453 ' HD3' ' O ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -55.04 -49.22 72.11 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.219 -0.926 . . . . 0.0 110.162 179.954 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.462 ' HB3' ' O ' ' A' ' 10' ' ' LEU . 3.7 t -58.54 -47.54 83.85 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.303 -0.873 . . . . 0.0 110.166 179.903 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.452 ' HB2' ' O ' ' A' ' 11' ' ' PHE . 0.1 OUTLIER -57.9 -50.36 73.59 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.176 -0.952 . . . . 0.0 110.154 179.917 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.3 m -59.67 -44.49 93.58 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.322 -0.862 . . . . 0.0 110.151 179.949 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 . . . . . 0 N--CA 1.491 1.608 0 O-C-N 121.257 -0.902 . . . . 0.0 110.187 -179.976 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 20.0 t80 . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 121.237 0.541 . . . . 0.0 110.188 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -55.69 -46.73 77.56 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.212 -0.93 . . . . 0.0 110.217 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.0 ttt85 -56.33 -52.46 64.48 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.256 -0.902 . . . . 0.0 110.168 -179.953 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.85 -48.55 80.96 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.281 -0.887 . . . . 0.0 110.231 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -55.89 -47.92 76.55 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.251 -0.906 . . . . 0.0 110.269 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -63.22 -56.77 13.81 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.217 -0.927 . . . . 0.0 110.206 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.91 -46.63 52.12 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.229 -0.919 . . . . 0.0 110.295 179.959 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 t -63.56 -50.87 67.8 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.249 -0.907 . . . . 0.0 110.262 179.879 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.15 -47.8 82.94 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.249 -0.907 . . . . 0.0 110.239 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.8 m -62.85 -43.18 99.47 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.269 -0.894 . . . . 0.0 110.27 179.899 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 . . . . . 0 N--CA 1.491 1.595 0 O-C-N 121.259 -0.901 . . . . 0.0 110.188 179.967 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.24 0.543 . . . . 0.0 110.251 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -48.1 -51.41 24.67 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.3 -0.875 . . . . 0.0 110.15 179.946 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.73 -52.23 50.12 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.24 -0.912 . . . . 0.0 110.108 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.42 -44.32 89.02 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.204 -0.935 . . . . 0.0 110.23 179.878 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.551 ' CZ ' ' CE1' ' A' ' 15' ' ' PHE . 60.8 t80 -58.36 -54.87 42.13 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.24 -0.913 . . . . 0.0 110.225 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -58.09 -49.09 78.13 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.308 -0.87 . . . . 0.0 110.184 179.923 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.29 -53.33 55.17 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.232 -0.917 . . . . 0.0 110.19 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.33 -42.83 92.38 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.258 -0.902 . . . . 0.0 110.132 179.942 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.551 ' CE1' ' CZ ' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -58.44 -51.8 68.29 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.321 -0.862 . . . . 0.0 110.237 179.952 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.4 p -62.78 -43.85 97.73 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.248 -0.907 . . . . 0.0 110.218 179.95 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.655 0 O-C-N 121.295 -0.878 . . . . 0.0 110.181 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.9 t80 . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 121.258 0.551 . . . . 0.0 110.173 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -44.94 -54.64 6.28 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.251 -0.906 . . . . 0.0 110.214 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.85 -57.29 10.72 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.191 -0.943 . . . . 0.0 110.189 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 mp -51.48 -49.48 61.71 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.219 -0.925 . . . . 0.0 110.188 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.98 -46.43 89.48 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.274 -0.891 . . . . 0.0 110.193 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -57.99 -53.56 56.81 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.248 -0.907 . . . . 0.0 110.207 180.0 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.53 -48.08 82.02 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.15 -0.969 . . . . 0.0 110.146 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 88.3 p -57.71 -43.92 85.57 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.228 -0.92 . . . . 0.0 110.18 -179.956 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -64.73 -52.2 58.34 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.274 -0.891 . . . . 0.0 110.228 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.8 m -63.59 -46.44 85.79 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.242 -0.911 . . . . 0.0 110.242 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.642 0 O-C-N 121.322 -0.861 . . . . 0.0 110.168 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.195 0.522 . . . . 0.0 110.128 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -60.55 -69.4 0.23 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.257 -0.902 . . . . 0.0 110.189 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.512 ' HG3' ' N ' ' A' ' 10' ' ' LEU . 9.4 ptm180 -46.33 -36.78 6.65 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.221 -0.924 . . . . 0.0 110.192 179.942 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.512 ' N ' ' HG3' ' A' ' 9' ' ' ARG . 0.8 OUTLIER -64.1 -57.19 10.33 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.197 -0.94 . . . . 0.0 110.121 179.957 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -57.21 -47.44 81.3 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.268 -0.895 . . . . 0.0 110.132 179.923 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.431 ' O ' HG23 ' A' ' 16' ' ' THR . 19.5 t-20 -58.28 -54.63 44.79 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.301 -0.875 . . . . 0.0 110.091 179.926 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.448 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -54.53 -50.88 66.82 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.256 -0.903 . . . . 0.0 110.136 179.966 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.8 m -56.99 -42.91 81.12 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.307 -0.87 . . . . 0.0 110.123 179.911 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -62.32 -49.64 74.81 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.275 -0.891 . . . . 0.0 110.126 179.947 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.431 HG23 ' O ' ' A' ' 12' ' ' ASN . 66.6 p -60.35 -43.31 96.62 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.226 -0.921 . . . . 0.0 110.173 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.448 ' HG2' ' O ' ' A' ' 13' ' ' ARG . 50.1 mm-40 . . . . . 0 N--CA 1.492 1.669 0 O-C-N 121.301 -0.874 . . . . 0.0 110.168 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.493 1.685 0 CA-C-O 121.282 0.563 . . . . 0.0 110.212 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -52.35 -57.06 10.98 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.268 -0.895 . . . . 0.0 110.254 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.87 -46.08 74.68 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.214 -0.929 . . . . 0.0 110.22 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.3 tp -55.91 -54.79 40.36 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.248 -0.908 . . . . 0.0 110.195 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -57.96 -53.18 61.15 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.272 -0.893 . . . . 0.0 110.226 179.944 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 -53.67 -53.62 49.41 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.245 -0.91 . . . . 0.0 110.178 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -55.39 -47.55 75.69 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.207 -0.933 . . . . 0.0 110.145 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.6 t -57.02 -51.09 70.65 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.258 -0.901 . . . . 0.0 110.214 179.913 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -59.24 -43.61 92.4 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.194 -0.941 . . . . 0.0 110.129 179.995 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.1 m -62.04 -48.9 78.18 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.264 -0.898 . . . . 0.0 110.147 -179.935 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.609 0 O-C-N 121.273 -0.892 . . . . 0.0 110.219 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 121.279 0.562 . . . . 0.0 110.205 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -54.11 -53.75 48.94 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.276 -0.89 . . . . 0.0 110.211 179.959 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -54.26 -51.15 65.44 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.219 -0.926 . . . . 0.0 110.175 179.921 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.37 -46.99 76.47 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.216 -0.928 . . . . 0.0 110.139 -179.937 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.415 ' CE1' ' CD2' ' A' ' 15' ' ' PHE . 50.5 t80 -60.06 -50.3 74.27 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.251 -0.905 . . . . 0.0 110.143 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.415 ' O ' HG23 ' A' ' 16' ' ' THR . 5.6 t-20 -57.42 -46.03 83.97 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.213 -0.93 . . . . 0.0 110.176 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.523 ' HG2' ' NE2' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -63.04 -54.28 40.65 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.294 -0.879 . . . . 0.0 110.239 179.971 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.55 -47.53 69.94 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.297 -0.877 . . . . 0.0 110.191 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.415 ' CD2' ' CE1' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -65.03 -49.88 68.42 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.214 -0.929 . . . . 0.0 110.266 179.92 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.455 ' OG1' ' O ' ' A' ' 13' ' ' ARG . 6.8 p -53.62 -43.57 68.81 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.321 -0.862 . . . . 0.0 110.225 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.523 ' NE2' ' HG2' ' A' ' 13' ' ' ARG . 59.3 mt-30 . . . . . 0 N--CA 1.492 1.66 0 O-C-N 121.304 -0.872 . . . . 0.0 110.149 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.271 0.558 . . . . 0.0 110.173 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -49.44 -57.55 6.78 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.224 -0.922 . . . . 0.0 110.249 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.23 -50.58 49.41 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.171 -0.956 . . . . 0.0 110.244 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.27 -54.57 41.83 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.258 -0.901 . . . . 0.0 110.214 179.942 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.68 -53.88 45.81 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.211 -0.931 . . . . 0.0 110.217 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -53.35 -51.42 62.51 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.289 -0.882 . . . . 0.0 110.183 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.5 ttp180 -55.79 -56.03 25.4 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.224 -0.923 . . . . 0.0 110.227 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.39 -41.73 66.23 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.272 -0.892 . . . . 0.0 110.212 179.949 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.2 -48.74 77.06 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.32 -0.863 . . . . 0.0 110.216 179.957 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.7 m -61.7 -40.14 93.98 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.204 -0.935 . . . . 0.0 110.228 179.958 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? . . . . . 0 N--CA 1.492 1.635 0 O-C-N 121.259 -0.901 . . . . 0.0 110.216 -179.991 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.189 0.519 . . . . 0.0 110.207 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -45.16 -57.18 4.1 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.264 -0.897 . . . . 0.0 110.2 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.54 -48.23 63.1 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.265 -0.897 . . . . 0.0 110.254 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.2 mp -56.98 -52.55 64.79 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.243 -0.91 . . . . 0.0 110.231 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.6 -53.06 62.03 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.258 -0.901 . . . . 0.0 110.219 179.956 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.469 ' O ' HG23 ' A' ' 16' ' ' THR . 0.1 OUTLIER -53.78 -50.57 65.78 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.238 -0.914 . . . . 0.0 110.186 -179.95 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.442 ' O ' ' HB2' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -57.4 -53.36 58.98 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.225 -0.922 . . . . 0.0 110.202 -179.953 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 59.4 m -53.43 -51.76 61.61 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.235 -0.916 . . . . 0.0 110.226 -179.963 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -57.23 -57.11 14.07 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.318 -0.864 . . . . 0.0 110.193 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.469 HG23 ' O ' ' A' ' 12' ' ' ASN . 64.2 p -53.42 -48.62 68.58 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.155 -0.965 . . . . 0.0 110.138 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.442 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.581 0 O-C-N 121.207 -0.933 . . . . 0.0 110.211 179.954 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.19 0.519 . . . . 0.0 110.166 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -46.37 -59.18 3.1 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.26 -0.9 . . . . 0.0 110.182 -179.988 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.85 -43.85 66.36 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.23 -0.919 . . . . 0.0 110.124 179.964 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.551 HD23 ' O ' ' A' ' 10' ' ' LEU . 1.7 tt -57.5 -53.48 57.62 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.285 -0.884 . . . . 0.0 110.207 179.988 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.96 -46.07 88.95 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.126 -0.984 . . . . 0.0 110.144 179.998 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 36.6 t30 -57.56 -58.24 9.18 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.3 -0.875 . . . . 0.0 110.125 179.999 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.33 -52.6 62.96 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.242 -0.912 . . . . 0.0 110.156 -179.951 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.433 ' HB2' ' O ' ' A' ' 10' ' ' LEU . 0.6 OUTLIER -52.25 -45.38 65.35 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.284 -0.885 . . . . 0.0 110.209 179.939 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -63.13 -52.32 63.0 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.312 -0.868 . . . . 0.0 110.163 179.999 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -57.4 -49.89 74.74 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.246 -0.909 . . . . 0.0 110.152 -179.982 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? . . . . . 0 N--CA 1.491 1.594 0 O-C-N 121.263 -0.898 . . . . 0.0 110.261 179.942 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 121.286 0.565 . . . . 0.0 109.998 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.469 ' CE1' ' OD1' ' A' ' 12' ' ' ASN . 13.1 t80 -64.58 -47.44 78.67 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.215 -0.928 . . . . 0.0 109.945 179.838 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 -60.61 -41.29 94.5 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.333 -0.855 . . . . 0.0 110.066 179.866 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.457 ' O ' ' HB2' ' A' ' 14' ' ' SER . 4.8 tp -66.57 -50.02 64.5 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.193 -0.942 . . . . 0.0 110.186 179.889 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -59.95 -40.87 90.47 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.258 -0.901 . . . . 0.0 110.123 179.97 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.469 ' OD1' ' CE1' ' A' ' 8' ' ' PHE . 1.4 m120 -67.98 -51.71 44.21 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.184 -0.947 . . . . 0.0 110.18 179.997 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -59.12 -50.99 71.95 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.274 -0.891 . . . . 0.0 110.228 179.937 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.457 ' HB2' ' O ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -62.22 -46.67 87.82 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.284 -0.885 . . . . 0.0 110.176 179.999 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -60.63 -50.18 74.53 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.241 -0.912 . . . . 0.0 110.211 -179.999 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 50.7 m -60.18 -52.21 66.29 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.272 -0.892 . . . . 0.0 110.184 179.999 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.8 tm0? . . . . . 0 N--CA 1.491 1.599 0 O-C-N 121.188 -0.945 . . . . 0.0 110.217 179.984 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.4 t80 . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.253 0.549 . . . . 0.0 110.171 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.424 ' CD1' ' C ' ' A' ' 8' ' ' PHE . 17.8 t80 -48.63 -59.11 3.78 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.237 -0.914 . . . . 0.0 110.165 -179.973 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.53 -49.25 65.21 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.266 -0.896 . . . . 0.0 110.247 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.82 -52.53 56.64 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.168 -0.958 . . . . 0.0 110.24 179.952 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -59.19 -52.17 66.83 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.284 -0.885 . . . . 0.0 110.176 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -55.86 -54.94 38.44 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.256 -0.902 . . . . 0.0 110.159 -179.979 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.485 ' HD2' ' N ' ' A' ' 14' ' ' SER . 0.7 OUTLIER -54.29 -52.97 59.77 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.206 -0.934 . . . . 0.0 110.192 -179.955 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.485 ' N ' ' HD2' ' A' ' 13' ' ' ARG . 0.4 OUTLIER -54.83 -42.37 71.85 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.356 -0.84 . . . . 0.0 110.215 179.94 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.46 -55.16 26.43 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.201 -0.937 . . . . 0.0 110.214 179.968 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.01 -39.05 92.87 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.25 -0.906 . . . . 0.0 110.217 179.963 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.446 ' HG3' ' HG2' ' A' ' 13' ' ' ARG . 7.7 mm-40 . . . . . 0 N--CA 1.491 1.578 0 O-C-N 121.19 -0.944 . . . . 0.0 110.197 179.981 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.7 m-30 . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.293 0.568 . . . . 0.0 110.109 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -58.24 -45.87 86.99 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.295 -0.878 . . . . 0.0 109.979 179.892 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.407 ' NH1' ' HB2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -57.95 -49.35 77.1 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.317 -0.865 . . . . 0.0 110.064 179.872 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.416 HD13 ' HA ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -60.34 -50.95 71.59 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.253 -0.904 . . . . 0.0 110.091 179.897 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.73 -46.71 74.28 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.216 -0.928 . . . . 0.0 109.969 179.826 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -61.19 -51.5 68.76 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.221 -0.925 . . . . 0.0 110.074 179.83 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.407 ' HB2' ' NH1' ' A' ' 9' ' ' ARG . 2.4 ttm-85 -54.29 -51.78 63.53 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.288 -0.883 . . . . 0.0 110.142 179.887 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.7 t -58.13 -50.57 73.04 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.257 -0.902 . . . . 0.0 110.081 179.957 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -54.64 -43.91 72.73 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.289 -0.882 . . . . 0.0 110.21 179.978 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 92.4 m -64.92 -47.37 77.98 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.236 -0.915 . . . . 0.0 110.176 179.898 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.611 0 O-C-N 121.265 -0.897 . . . . 0.0 110.186 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . 1.468 2.5 p . . . . . 3 N--CA 0.203 -62.795 2 N-CA-C 171.746 22.498 . . . . 8.1300000000000008 171.746 . . . . . . . . . 3 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 143.97 -141.0 9.86 Favored Glycine 4 N--CA 0.368 -72.519 5 CA-C-N 168.377 23.262 . . . . 5.7000000000000002 156.053 -179.883 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . 1.322 20.0 m 167.44 86.73 0.0 OUTLIER 'General case' 4 N--CA 0.591 -43.39 5 O-C-N 31.081 -54.187 . . . . 4.6100000000000003 149.161 179.49 . . . . . . . . 4 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . 0.638 0.3 OUTLIER -112.8 -11.81 13.42 Favored 'General case' 3 C--N 0.637 -30.411 2 O-C-N 96.003 -16.686 . . . . 3.1400000000000001 119.132 -179.965 . . . . . . . . 5 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 1.258 ' OG ' ' CA ' ' A' ' 5' ' ' SER 0.259 7.5 t -43.7 -67.67 0.26 Allowed 'General case' 1 N--CA 1.358 -5.029 0 O-C-N 125.163 1.539 . . . . 1.77 114.758 179.974 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.419 ' H ' ' HB3' ' A' ' 5' ' ' SER . 0.3 OUTLIER -47.24 -56.94 5.79 Favored 'General case' 0 C--N 1.293 -1.877 0 O-C-N 121.151 -0.968 . . . . 1.1799999999999999 110.482 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -51.78 -59.03 4.77 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.08 -1.012 . . . . 2.5 110.185 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -51.27 -55.08 20.08 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.176 -0.953 . . . . 2.1499999999999999 110.267 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.4 ttt180 -53.13 -50.93 63.51 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.251 -0.906 . . . . 3.4900000000000002 110.211 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 1.527 ' CD2' ' CB ' ' A' ' 10' ' ' LEU . 0.2 OUTLIER -55.34 -50.45 69.61 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.229 -0.919 . . . . 1.6899999999999999 110.273 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.68 -51.05 71.13 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.134 -0.979 . . . . 2.1699999999999999 110.228 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 1.434 ' OD1' ' CB ' ' A' ' 12' ' ' ASN . 9.6 t30 -58.32 -51.62 69.03 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.169 -0.957 . . . . 1.76 110.23 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 1.343 ' CD ' ' CB ' ' A' ' 13' ' ' ARG . 2.5 ttt180 -57.09 -50.65 72.11 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.166 -0.959 . . . . 3.3999999999999999 110.233 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 1.131 ' OG ' ' HB2' ' A' ' 14' ' ' SER . 3.4 t -57.94 -47.77 81.91 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.188 -0.945 . . . . 1.27 110.224 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.427 ' O ' ' HB2' ' A' ' 19' ' ' LEU . 2.0 t80 -60.35 -50.56 73.11 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.171 -0.956 . . . . 2.1200000000000001 110.238 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.71 -47.82 84.13 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.136 -0.977 . . . . 1.1100000000000001 110.251 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 1.305 ' CD ' ' CB ' ' A' ' 17' ' ' GLN . 6.2 tt0 -61.77 -47.35 85.58 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.093 -1.004 . . . . 2.27 110.252 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.87 -51.17 68.04 Favored 'General case' 0 C--N 1.296 -1.719 0 O-C-N 121.104 -0.998 . . . . 0.48999999999999999 110.166 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 1.502 ' CD2' ' CB ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -55.95 -36.7 68.08 Favored 'General case' 0 C--O 1.175 -2.858 0 O-C-N 120.77 -1.206 . . . . 1.8100000000000001 110.422 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.733 ' HA2' ' CA ' ' A' ' 21' ' ' LYS . . . 12.32 0.01 0.0 OUTLIER Glycine 1 CA--C 0.591 -57.681 2 CA-C-O 171.255 28.142 . . . . 1.8100000000000001 170.432 -179.974 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.733 ' CA ' ' HA2' ' A' ' 20' ' ' GLY 1.489 6.7 ttpt -140.5 151.08 44.51 Favored 'General case' 4 C--O 0.059 -61.56 5 CA-C-N 14.089 -51.056 . . . . 7.9199999999999999 135.534 179.855 . . . . . . . . 5 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 0.088 -54.244 2 O-C-N 26.21 -60.307 . . . . 5.0899999999999999 . . . . . . . . . . 2 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.3 m . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 121.186 0.517 . . . . 0.0 110.202 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.437 ' O ' ' O ' ' A' ' 3' ' ' SER . . . -135.07 119.42 2.13 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.827 ' C ' HD12 ' A' ' 4' ' ' LEU . 6.9 t 55.37 106.19 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.25 -1.147 . . . . 0.0 110.249 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.827 HD12 ' C ' ' A' ' 3' ' ' SER . 6.5 mp -134.27 16.27 3.76 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.25 -0.906 . . . . 0.0 110.232 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 6' ' ' THR . 7.5 t -52.09 -67.21 0.27 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.281 -0.887 . . . . 0.0 110.222 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 5' ' ' SER . 0.1 OUTLIER -43.25 -65.72 0.46 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.21 -0.931 . . . . 0.0 110.168 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -47.39 -58.04 4.62 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.258 -0.901 . . . . 0.0 110.181 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.422 ' CD1' ' HB3' ' A' ' 4' ' ' LEU . 3.4 m-30 -52.04 -51.62 56.32 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.203 -0.936 . . . . 0.0 110.213 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -50.44 73.87 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.254 -0.904 . . . . 0.0 110.162 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.1 tp -53.43 -49.07 68.11 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.208 -0.932 . . . . 0.0 110.233 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.7 m-30 -63.02 -47.64 82.19 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.255 -0.903 . . . . 0.0 110.243 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -61.42 -47.71 84.52 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.254 -0.904 . . . . 0.0 110.213 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.52 -51.76 67.3 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.285 -0.884 . . . . 0.0 110.2 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 28.5 t -58.12 -44.99 88.03 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.234 -0.916 . . . . 0.0 110.226 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -64.79 -55.43 19.77 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.292 -0.88 . . . . 0.0 110.257 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.7 m -57.26 -52.29 65.91 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.241 -0.912 . . . . 0.0 110.23 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -57.48 -48.77 78.34 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.233 -0.917 . . . . 0.0 110.203 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.88 -55.57 32.49 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.266 -0.896 . . . . 0.0 110.229 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -47.34 -42.15 20.81 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.238 -0.914 . . . . 0.0 110.215 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.475 ' O ' ' N ' ' A' ' 22' ' ' NH2 . . . 120.43 0.27 12.55 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.26 -71.32 0.07 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.035 -1.274 . . . . 0.0 110.211 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . 0.475 ' N ' ' O ' ' A' ' 20' ' ' GLY . . . . . . . . 0 C--N 1.305 -1.356 0 O-C-N 119.879 -1.763 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.275 0.559 . . . . 0.0 110.255 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -54.67 -93.46 0.01 OUTLIER Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.486 -1.446 . . . . 0.0 109.486 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.79 -166.01 0.08 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.222 -1.164 . . . . 0.0 110.283 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.626 HD21 ' HG2' ' A' ' 9' ' ' ARG . 0.3 OUTLIER -158.99 -68.43 0.08 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.288 -0.882 . . . . 0.0 110.124 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.463 ' O ' ' O ' ' A' ' 4' ' ' LEU . 10.2 m 54.29 166.07 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.301 -0.875 . . . . 0.0 110.438 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 41.3 p -50.05 -35.78 26.4 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.264 -0.897 . . . . 0.0 109.943 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -54.56 -60.38 3.42 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.257 -0.902 . . . . 0.0 109.998 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.588 ' CB ' ' HA ' ' A' ' 4' ' ' LEU . 9.6 t80 -63.03 -45.72 90.96 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.224 -0.923 . . . . 0.0 109.898 179.689 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.626 ' HG2' HD21 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -58.91 -46.33 88.17 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.219 -0.926 . . . . 0.0 109.901 179.724 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 tp -63.63 -46.44 85.7 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.285 -0.884 . . . . 0.0 109.957 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.462 ' O ' ' HB2' ' A' ' 15' ' ' PHE . 0.2 OUTLIER -57.19 -49.53 75.7 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.309 -0.869 . . . . 0.0 110.102 179.793 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -63.33 -56.34 17.21 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.273 -0.892 . . . . 0.0 110.069 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.445 ' HB2' ' O ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -56.3 -46.69 79.7 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.303 -0.873 . . . . 0.0 110.081 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.478 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 97.5 p -59.29 -47.31 85.86 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.278 -0.888 . . . . 0.0 110.142 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.462 ' HB2' ' O ' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -60.41 -46.75 88.88 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.268 -0.895 . . . . 0.0 110.173 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.3 m -61.45 -57.76 10.91 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.245 -0.909 . . . . 0.0 110.188 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.524 ' HG3' ' N ' ' A' ' 18' ' ' ALA . 12.9 pt20 -59.17 -37.95 78.6 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.19 -0.944 . . . . 0.0 110.191 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.524 ' N ' ' HG3' ' A' ' 17' ' ' GLN . . . -62.84 -57.36 11.13 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.289 -0.882 . . . . 0.0 110.26 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 37.4 mt -55.37 -30.39 60.25 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.183 -0.948 . . . . 0.0 110.236 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.452 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . -78.67 0.22 77.7 Favored Glycine 0 N--CA 1.491 2.366 0 N-CA-C 109.565 -1.414 . . . . 0.0 109.565 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.452 ' CB ' ' O ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER 172.76 137.44 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.959 -1.318 . . . . 0.0 110.194 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.344 0 O-C-N 119.843 -1.786 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.3 p . . . . . 0 N--CA 1.492 1.659 0 CA-C-O 121.24 0.543 . . . . 0.0 110.171 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.429 ' O ' ' CB ' ' A' ' 3' ' ' SER . . . 155.44 -62.26 0.35 Allowed Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 2' ' ' GLY . 0.1 OUTLIER 64.6 107.75 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.233 -1.157 . . . . 0.0 110.205 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -89.7 177.56 6.49 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.256 -0.903 . . . . 0.0 110.274 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 6' ' ' THR . 0.1 OUTLIER -44.76 -76.9 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.294 -0.879 . . . . 0.0 110.205 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 5' ' ' SER . 0.1 OUTLIER -43.0 -53.89 4.54 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.305 -0.872 . . . . 0.0 110.246 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -54.8 -64.97 0.66 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.238 -0.914 . . . . 0.0 110.191 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -46.44 -56.34 6.08 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.271 -0.893 . . . . 0.0 110.173 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.33 -55.32 19.05 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.231 -0.918 . . . . 0.0 110.18 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.452 ' HA ' HD13 ' A' ' 10' ' ' LEU . 0.4 OUTLIER -50.59 -53.78 27.9 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.29 -0.881 . . . . 0.0 110.131 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -53.83 -54.1 43.24 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.247 -0.908 . . . . 0.0 110.17 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -57.73 -41.91 82.8 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.258 -0.901 . . . . 0.0 110.23 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.9 -52.71 64.25 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.231 -0.918 . . . . 0.0 110.202 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.43 -46.82 88.64 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.191 -0.943 . . . . 0.0 110.13 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -59.8 -51.07 71.32 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.256 -0.903 . . . . 0.0 110.259 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.0 m -59.79 -53.49 57.31 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.315 -0.866 . . . . 0.0 110.25 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.401 ' O ' ' NE2' ' A' ' 17' ' ' GLN . 2.6 tm0? -53.85 -47.91 70.53 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.294 -0.879 . . . . 0.0 110.198 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.08 -64.4 0.9 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.292 -0.88 . . . . 0.0 110.234 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.462 ' N ' ' CD2' ' A' ' 19' ' ' LEU . 4.0 mm? -55.75 -17.51 6.21 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.223 -0.923 . . . . 0.0 110.21 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -98.28 0.15 58.5 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.3 tttp 51.62 21.37 1.3 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.968 -1.313 . . . . 0.0 110.192 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.322 0 O-C-N 119.838 -1.789 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 121.196 0.522 . . . . 0.0 110.235 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 99.72 33.91 5.14 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.437 ' O ' ' HB2' ' A' ' 4' ' ' LEU . 68.2 m -108.6 102.75 11.79 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.269 -1.136 . . . . 0.0 110.171 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.437 ' HB2' ' O ' ' A' ' 3' ' ' SER . 0.7 OUTLIER 55.8 18.29 2.88 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.261 -0.899 . . . . 0.0 110.302 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -47.55 -58.93 3.65 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.241 -0.912 . . . . 0.0 110.186 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.2 m -48.04 -58.15 4.84 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.305 -0.872 . . . . 0.0 110.146 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -51.73 -49.14 63.11 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.226 -0.921 . . . . 0.0 110.147 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -54.63 -59.5 4.63 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.248 -0.907 . . . . 0.0 110.104 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.26 -49.94 63.06 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.217 -0.927 . . . . 0.0 110.036 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.409 ' O ' ' CB ' ' A' ' 14' ' ' SER . 1.3 tt -56.32 -45.47 80.29 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.22 -0.925 . . . . 0.0 110.045 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.455 ' O ' ' HB2' ' A' ' 15' ' ' PHE . 7.0 t80 -60.73 -49.65 76.65 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.294 -0.879 . . . . 0.0 110.107 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -59.54 -58.29 9.23 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.304 -0.873 . . . . 0.0 110.14 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 21.6 ttp180 -58.45 -46.36 86.71 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.234 -0.916 . . . . 0.0 110.152 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.453 ' HG ' ' C ' ' A' ' 11' ' ' PHE . 88.0 p -56.93 -49.88 74.3 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.233 -0.917 . . . . 0.0 110.056 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.455 ' HB2' ' O ' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -60.64 -51.17 70.54 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.239 -0.913 . . . . 0.0 110.107 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.697 HG23 ' HD3' ' A' ' 21' ' ' LYS . 51.9 m -56.77 -48.0 78.85 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.158 -0.964 . . . . 0.0 110.073 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -64.95 -47.6 77.08 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.252 -0.905 . . . . 0.0 110.226 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.47 -47.97 75.28 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.305 -0.872 . . . . 0.0 110.22 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.495 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -57.0 -48.79 77.62 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.337 -0.852 . . . . 0.0 110.193 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 123.56 0.3 9.32 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.494 -1.442 . . . . 0.0 109.494 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.697 ' HD3' HG23 ' A' ' 16' ' ' THR . 0.1 OUTLIER -46.67 -28.17 1.4 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.072 -1.252 . . . . 0.0 110.213 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.365 0 O-C-N 119.939 -1.726 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.3 t . . . . . 0 N--CA 1.492 1.672 0 CA-C-O 121.208 0.527 . . . . 0.0 110.224 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 84.37 33.25 20.45 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.593 -1.403 . . . . 0.0 109.593 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m 46.86 41.16 10.19 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.224 -1.163 . . . . 0.0 110.225 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -120.56 -6.59 9.72 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.29 -0.881 . . . . 0.0 110.261 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.3 m -43.36 -65.48 0.49 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.271 -0.893 . . . . 0.0 110.143 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -44.04 -54.57 5.36 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.217 -0.927 . . . . 0.0 110.16 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -51.85 -52.09 51.94 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.308 -0.87 . . . . 0.0 110.214 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -55.97 -56.14 24.35 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.217 -0.927 . . . . 0.0 110.1 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -50.03 -52.86 30.9 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.236 -0.915 . . . . 0.0 110.147 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.4 tp -58.06 -48.66 79.45 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.246 -0.909 . . . . 0.0 110.121 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.431 ' O ' ' HB2' ' A' ' 15' ' ' PHE . 1.8 m-85 -53.68 -49.87 67.08 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.188 -0.945 . . . . 0.0 110.172 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -62.01 -53.09 60.38 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.235 -0.915 . . . . 0.0 110.121 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.401 ' O ' ' OG1' ' A' ' 16' ' ' THR . 1.0 OUTLIER -55.2 -58.88 5.89 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.307 -0.871 . . . . 0.0 110.23 179.874 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.7 t -53.16 -46.6 68.95 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.219 -0.926 . . . . 0.0 110.097 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.431 ' HB2' ' O ' ' A' ' 11' ' ' PHE . 1.6 m-85 -55.63 -53.34 57.71 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.203 -0.936 . . . . 0.0 110.189 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 13' ' ' ARG . 2.1 p -59.43 -39.99 85.32 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.249 -0.907 . . . . 0.0 110.215 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -66.68 -52.01 49.59 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.188 -0.945 . . . . 0.0 110.27 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.93 -52.62 64.95 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.24 -0.912 . . . . 0.0 110.196 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 0.2 OUTLIER -48.43 -37.32 16.86 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.23 -0.919 . . . . 0.0 110.182 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.5 0.22 89.37 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.75 88.0 0.33 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.977 -1.308 . . . . 0.0 110.179 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.334 0 O-C-N 119.846 -1.784 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.434 ' O ' ' OG ' ' A' ' 1' ' ' SER . 6.8 p . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.252 0.548 . . . . 0.0 110.152 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -129.65 24.86 4.55 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.4 p -126.69 56.01 1.5 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.253 -1.145 . . . . 0.0 110.232 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.38 -30.68 57.63 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.262 -0.899 . . . . 0.0 110.238 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 6' ' ' THR . 4.7 t -59.49 -66.47 0.51 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.244 -0.91 . . . . 0.0 110.18 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 5' ' ' SER . 32.4 p -42.93 -58.39 2.42 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.277 -0.89 . . . . 0.0 110.281 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -51.68 -49.33 62.59 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.312 -0.868 . . . . 0.0 110.2 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -55.27 -56.9 14.73 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.2 -0.938 . . . . 0.0 110.2 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.46 -54.0 43.3 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.27 -0.894 . . . . 0.0 110.208 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.8 tt -51.57 -50.02 60.92 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.241 -0.912 . . . . 0.0 110.205 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.1 -56.2 25.11 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.296 -0.877 . . . . 0.0 110.234 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.634 ' O ' HG23 ' A' ' 16' ' ' THR . 0.2 OUTLIER -50.44 -49.9 53.64 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.223 -0.923 . . . . 0.0 110.208 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.409 ' O ' ' HB2' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -58.6 -52.32 66.17 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.253 -0.904 . . . . 0.0 110.143 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.407 ' O ' ' CB ' ' A' ' 18' ' ' ALA . 9.4 p -61.39 -45.16 95.52 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.334 -0.854 . . . . 0.0 110.272 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -58.01 -47.73 82.15 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.237 -0.914 . . . . 0.0 110.247 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.634 HG23 ' O ' ' A' ' 12' ' ' ASN . 72.3 p -66.49 -57.88 6.41 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.273 -0.892 . . . . 0.0 110.217 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.409 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -56.21 -31.17 63.23 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.274 -0.891 . . . . 0.0 110.24 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.407 ' CB ' ' O ' ' A' ' 14' ' ' SER . . . -76.13 -64.0 1.19 Allowed 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.31 -0.869 . . . . 0.0 110.144 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.464 HD23 ' O ' ' A' ' 19' ' ' LEU . 3.2 tt -53.88 -21.5 7.86 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.308 -0.87 . . . . 0.0 110.188 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.56 0.21 61.23 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.76 94.09 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.065 -1.256 . . . . 0.0 110.228 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.351 0 O-C-N 119.904 -1.747 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.3 p . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.23 0.538 . . . . 0.0 110.238 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -165.77 41.51 0.28 Allowed Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.1 t -109.96 -48.91 3.14 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.228 -1.16 . . . . 0.0 110.214 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.6 mt -98.82 47.53 0.98 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.228 -0.92 . . . . 0.0 110.201 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 6' ' ' THR . 1.8 t -50.03 -72.45 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.21 -0.931 . . . . 0.0 110.239 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 5' ' ' SER . 61.9 m -43.41 -61.49 1.35 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.278 -0.889 . . . . 0.0 110.247 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -44.88 -68.47 0.2 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.284 -0.885 . . . . 0.0 110.175 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -46.41 -53.18 11.53 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.202 -0.936 . . . . 0.0 110.155 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.8 -56.12 15.8 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.151 -0.968 . . . . 0.0 110.191 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 10' ' ' LEU . 8.6 mt -53.07 -45.06 67.97 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.281 -0.887 . . . . 0.0 110.215 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -59.52 -57.55 12.46 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.189 -0.944 . . . . 0.0 110.248 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -56.89 -51.4 69.23 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.241 -0.912 . . . . 0.0 110.204 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.468 ' O ' ' HB2' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -55.44 -55.46 31.46 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.28 -0.887 . . . . 0.0 110.19 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.432 ' HB2' ' O ' ' A' ' 10' ' ' LEU . 0.9 OUTLIER -53.51 -49.24 67.98 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.28 -0.888 . . . . 0.0 110.201 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.452 ' O ' HD12 ' A' ' 19' ' ' LEU . 8.1 m-85 -66.51 -49.82 65.28 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.279 -0.888 . . . . 0.0 110.211 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 49.3 m -57.49 -52.75 64.13 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.154 -0.966 . . . . 0.0 110.128 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.468 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -61.87 -52.43 64.14 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.216 -0.928 . . . . 0.0 110.196 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.83 -32.6 65.92 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.251 -0.906 . . . . 0.0 110.133 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.452 HD12 ' O ' ' A' ' 15' ' ' PHE . 9.7 mt -63.66 -61.37 2.36 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.281 -0.887 . . . . 0.0 110.199 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.08 0.16 74.74 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.559 -1.416 . . . . 0.0 109.559 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.85 -158.73 0.46 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.046 -1.267 . . . . 0.0 110.144 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 119.837 -1.79 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.8 t . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 121.251 0.548 . . . . 0.0 110.224 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -141.94 133.38 5.66 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.593 -1.403 . . . . 0.0 109.593 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 t 49.52 84.08 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.275 -1.132 . . . . 0.0 110.258 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.466 HD22 ' HA ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -129.08 -65.46 0.86 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.326 -0.859 . . . . 0.0 110.196 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 p -47.95 -48.53 32.07 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.163 -0.961 . . . . 0.0 110.273 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.7 m -45.58 -67.83 0.25 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.249 -0.907 . . . . 0.0 110.215 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.11 -52.81 62.97 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.16 -0.963 . . . . 0.0 110.193 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -49.63 -60.69 2.64 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.24 -0.912 . . . . 0.0 110.161 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 43.6 ttt180 -52.92 -48.55 67.18 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.258 -0.901 . . . . 0.0 110.237 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 tt -52.13 -54.33 31.91 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.235 -0.916 . . . . 0.0 110.125 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.446 ' O ' ' HB2' ' A' ' 15' ' ' PHE . 0.3 OUTLIER -59.0 -51.37 70.36 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.244 -0.91 . . . . 0.0 110.195 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -53.61 -50.55 65.44 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.215 -0.928 . . . . 0.0 110.208 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.9 mmt-85 -60.3 -56.05 26.27 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.244 -0.91 . . . . 0.0 110.232 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.5 p -55.47 -43.21 75.29 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.288 -0.882 . . . . 0.0 110.231 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.446 ' HB2' ' O ' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -62.44 -45.74 91.72 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.325 -0.86 . . . . 0.0 110.204 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 32.6 m -63.97 -42.09 97.36 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.182 -0.949 . . . . 0.0 110.17 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -65.95 -49.18 68.83 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.24 -0.913 . . . . 0.0 110.262 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.38 -47.73 80.83 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.352 -0.842 . . . . 0.0 110.179 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.2 tp -56.49 -43.18 79.42 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.242 -0.911 . . . . 0.0 110.171 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.68 0.28 65.84 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.84 92.3 3.6 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.041 -1.27 . . . . 0.0 110.226 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.366 0 O-C-N 119.851 -1.781 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 121.287 0.565 . . . . 0.0 110.191 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 129.95 147.83 6.32 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.35 162.97 1.56 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.253 -1.145 . . . . 0.0 110.196 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.426 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 0.5 OUTLIER 48.95 50.66 17.4 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.239 -0.913 . . . . 0.0 110.2 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.5 p -55.0 -64.93 0.68 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.258 -0.901 . . . . 0.0 110.254 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.401 HG22 HD12 ' A' ' 10' ' ' LEU . 7.1 m -46.48 -60.91 2.06 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.241 -0.912 . . . . 0.0 110.237 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -55.22 -53.97 49.24 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.239 -0.913 . . . . 0.0 110.17 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.426 ' HB2' ' O ' ' A' ' 4' ' ' LEU . 35.4 t80 -53.64 -66.53 0.38 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.236 -0.915 . . . . 0.0 110.221 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.536 ' HD2' ' NH2' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -46.71 -43.98 18.35 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.24 -0.912 . . . . 0.0 110.224 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.401 HD12 HG22 ' A' ' 6' ' ' THR . 16.4 mt -57.85 -58.39 8.58 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.35 -0.844 . . . . 0.0 110.277 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -56.58 -46.11 80.98 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.264 -0.898 . . . . 0.0 110.123 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -58.63 -57.83 11.25 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.31 -0.869 . . . . 0.0 110.25 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.536 ' NH2' ' HD2' ' A' ' 9' ' ' ARG . 0.9 OUTLIER -54.25 -53.14 57.63 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.172 -0.955 . . . . 0.0 110.146 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.526 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 24.2 m -52.18 -52.68 50.56 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.328 -0.858 . . . . 0.0 110.216 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -67.04 -50.44 61.95 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.278 -0.889 . . . . 0.0 110.218 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.9 m -48.67 -59.28 3.66 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.245 -0.909 . . . . 0.0 110.254 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 18' ' ' ALA . 1.1 tt0 -66.91 -50.91 60.91 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.172 -0.955 . . . . 0.0 110.14 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.526 ' HB2' ' O ' ' A' ' 14' ' ' SER . . . -44.03 -53.41 6.32 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.218 -0.926 . . . . 0.0 110.221 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.96 -55.89 8.45 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.25 -0.906 . . . . 0.0 110.188 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 124.29 0.22 8.78 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.543 -1.423 . . . . 0.0 109.543 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.482 ' HG2' ' N ' ' A' ' 22' ' ' NH2 . 11.5 tttt -77.16 -91.25 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.048 -1.266 . . . . 0.0 110.195 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . 0.482 ' N ' ' HG2' ' A' ' 21' ' ' LYS . . . . . . . . 0 C--N 1.304 -1.372 0 O-C-N 119.945 -1.722 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 47.3 t . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 121.225 0.536 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 65.95 178.28 8.13 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.582 -1.407 . . . . 0.0 109.582 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.64 147.22 35.68 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.202 -1.175 . . . . 0.0 110.234 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.547 ' HA ' ' CB ' ' A' ' 8' ' ' PHE . 3.6 mp -69.52 -54.2 15.32 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.22 -0.925 . . . . 0.0 110.183 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.462 ' O ' ' O ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER 55.51 163.46 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.313 -0.867 . . . . 0.0 110.241 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.454 ' O ' ' HB2' ' A' ' 10' ' ' LEU . 0.7 OUTLIER -46.54 -36.17 6.51 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.259 -0.9 . . . . 0.0 110.174 179.89 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -56.03 -63.43 1.18 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.21 -0.931 . . . . 0.0 110.114 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.547 ' CB ' ' HA ' ' A' ' 4' ' ' LEU . 4.1 t80 -60.14 -43.57 95.62 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.232 -0.918 . . . . 0.0 109.838 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.2 ttm-85 -56.12 -48.43 76.22 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.313 -0.867 . . . . 0.0 109.978 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.454 ' HB2' ' O ' ' A' ' 6' ' ' THR . 0.2 OUTLIER -64.45 -47.96 77.06 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.248 -0.908 . . . . 0.0 110.008 179.791 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.408 ' O ' ' HB2' ' A' ' 15' ' ' PHE . 0.5 OUTLIER -53.31 -47.69 69.05 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.262 -0.899 . . . . 0.0 110.037 179.856 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -66.95 -56.54 9.74 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.272 -0.892 . . . . 0.0 110.105 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.57 -40.37 71.89 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.202 -0.936 . . . . 0.0 110.053 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 28.9 t -66.46 -49.75 65.64 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.252 -0.905 . . . . 0.0 110.145 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.408 ' HB2' ' O ' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -58.18 -50.03 74.96 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.256 -0.902 . . . . 0.0 110.153 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.6 p -63.97 -45.11 90.58 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.158 -0.964 . . . . 0.0 110.219 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 43.3 tp60 -57.74 -49.19 77.38 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.237 -0.915 . . . . 0.0 110.182 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.35 -48.32 73.4 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.244 -0.91 . . . . 0.0 110.225 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.555 HD23 ' O ' ' A' ' 19' ' ' LEU . 7.3 tt -56.33 -38.52 71.43 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.229 -0.919 . . . . 0.0 110.224 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.44 0.25 64.9 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.554 -1.419 . . . . 0.0 109.554 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.1 tttt -144.62 92.91 2.35 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.009 -1.289 . . . . 0.0 110.137 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.347 0 O-C-N 119.838 -1.789 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 121.248 0.547 . . . . 0.0 110.189 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 94.48 131.25 6.19 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.601 -1.4 . . . . 0.0 109.601 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 p -46.37 126.78 8.38 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.314 -1.109 . . . . 0.0 110.226 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -129.78 -2.12 4.75 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.304 -0.873 . . . . 0.0 110.271 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.6 m -50.43 -72.55 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.342 -0.849 . . . . 0.0 110.197 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -45.97 -47.35 16.6 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.302 -0.873 . . . . 0.0 110.182 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -53.94 -58.97 5.32 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.261 -0.899 . . . . 0.0 110.168 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -53.98 -49.94 67.67 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.24 -0.912 . . . . 0.0 110.173 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.26 -54.33 44.76 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.239 -0.913 . . . . 0.0 110.177 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.495 ' HA ' HD22 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -55.85 -50.32 70.9 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.26 -0.9 . . . . 0.0 110.179 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -54.3 -49.53 69.43 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.232 -0.917 . . . . 0.0 110.221 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 34.4 t30 -59.84 -51.52 69.39 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.194 -0.941 . . . . 0.0 110.25 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.48 ' O ' ' HD3' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -53.96 -54.36 39.99 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.264 -0.898 . . . . 0.0 110.162 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.39 -44.72 84.73 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.269 -0.895 . . . . 0.0 110.129 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.461 ' O ' ' HB2' ' A' ' 19' ' ' LEU . 0.1 OUTLIER -57.5 -51.49 69.26 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.221 -0.924 . . . . 0.0 110.185 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 37.7 m -60.81 -48.57 81.19 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.294 -0.879 . . . . 0.0 110.155 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -45.53 91.24 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.3 -0.875 . . . . 0.0 110.213 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.33 -62.49 1.65 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.204 -0.935 . . . . 0.0 110.17 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.461 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 3.7 mp -55.82 -27.11 49.74 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.177 -0.952 . . . . 0.0 110.205 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.49 0.22 62.1 Favored Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.612 -1.395 . . . . 0.0 109.612 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -88.13 -9.65 52.53 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.034 -1.274 . . . . 0.0 110.132 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.38 0 O-C-N 119.939 -1.726 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 17.3 m . . . . . 0 N--CA 1.492 1.625 0 CA-C-O 121.227 0.537 . . . . 0.0 110.231 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -178.88 59.07 0.08 OUTLIER Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.504 -1.438 . . . . 0.0 109.504 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.77 76.55 1.2 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.226 -1.161 . . . . 0.0 110.223 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 77.7 mt -71.89 -3.11 20.56 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.143 -0.973 . . . . 0.0 110.24 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.57 -56.31 5.28 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.249 -0.907 . . . . 0.0 110.201 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -49.2 -62.02 1.76 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.153 -0.967 . . . . 0.0 110.252 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -52.41 -57.63 9.24 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.287 -0.883 . . . . 0.0 110.214 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -48.7 -57.84 5.67 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.266 -0.896 . . . . 0.0 110.155 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.83 -53.31 33.24 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.239 -0.913 . . . . 0.0 110.193 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -51.97 -56.61 13.14 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.287 -0.883 . . . . 0.0 110.194 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -53.8 -49.56 68.05 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.272 -0.892 . . . . 0.0 110.204 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -58.36 -46.1 86.95 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.257 -0.902 . . . . 0.0 110.202 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.432 ' CA ' ' NE ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -59.81 -49.99 75.55 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.298 -0.876 . . . . 0.0 110.178 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.55 -50.04 75.43 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.247 -0.908 . . . . 0.0 110.195 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.758 ' O ' HD12 ' A' ' 19' ' ' LEU . 0.5 OUTLIER -57.8 -45.44 86.07 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.22 -0.925 . . . . 0.0 110.185 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.732 HG23 ' O ' ' A' ' 21' ' ' LYS . 27.1 m -65.62 -55.05 19.66 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.279 -0.888 . . . . 0.0 110.166 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -52.85 -42.7 65.46 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.267 -0.896 . . . . 0.0 110.216 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.79 -51.56 47.41 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.278 -0.888 . . . . 0.0 110.19 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.758 HD12 ' O ' ' A' ' 15' ' ' PHE . 9.4 mt -53.56 -39.32 64.68 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.322 -0.861 . . . . 0.0 110.16 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.36 0.2 31.13 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.574 -1.41 . . . . 0.0 109.574 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.732 ' O ' HG23 ' A' ' 16' ' ' THR . 0.0 OUTLIER -136.37 114.55 11.54 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.113 -1.227 . . . . 0.0 110.222 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.324 0 O-C-N 119.799 -1.813 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 69.8 m . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.211 0.529 . . . . 0.0 110.154 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 76.48 20.31 77.0 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.88 161.03 17.44 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.216 -1.167 . . . . 0.0 110.18 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.478 HD23 ' HB2' ' A' ' 7' ' ' PHE . 0.1 OUTLIER 57.89 15.55 3.14 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.259 -0.901 . . . . 0.0 110.253 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -44.75 -55.28 5.45 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.276 -0.89 . . . . 0.0 110.21 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 99.0 m -47.98 -65.73 0.52 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.224 -0.922 . . . . 0.0 110.228 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.478 ' HB2' HD23 ' A' ' 4' ' ' LEU . 95.5 m-85 -47.75 -57.32 5.72 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.263 -0.898 . . . . 0.0 110.228 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -51.68 -55.07 21.64 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.173 -0.955 . . . . 0.0 110.177 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 -49.94 -55.29 15.08 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.287 -0.883 . . . . 0.0 110.229 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.446 ' HA ' HD12 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -55.2 -44.94 75.81 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.239 -0.913 . . . . 0.0 110.236 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -58.15 -56.61 19.88 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.286 -0.884 . . . . 0.0 110.123 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -56.47 -53.8 53.17 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.193 -0.942 . . . . 0.0 110.2 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 -56.58 -47.23 79.99 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.229 -0.919 . . . . 0.0 110.1 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.5 t -56.75 -53.29 59.45 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.213 -0.93 . . . . 0.0 110.153 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -57.16 -50.37 73.04 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.251 -0.905 . . . . 0.0 110.176 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 53.2 m -57.23 -44.93 84.23 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.33 -0.857 . . . . 0.0 110.17 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 21' ' ' LYS . 0.7 OUTLIER -61.47 -50.87 71.03 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.29 -0.882 . . . . 0.0 110.201 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.32 -40.77 91.79 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.258 -0.901 . . . . 0.0 110.188 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.533 HD23 ' C ' ' A' ' 19' ' ' LEU . 9.1 tt -59.2 -55.34 36.14 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.275 -0.891 . . . . 0.0 110.272 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.472 ' N ' HD23 ' A' ' 19' ' ' LEU . . . -85.75 0.18 87.91 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER 60.49 12.92 3.8 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.111 -1.229 . . . . 0.0 110.192 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.312 0 O-C-N 119.856 -1.778 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 121.25 0.548 . . . . 0.0 110.223 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.46 ' O ' ' O ' ' A' ' 3' ' ' SER . . . 103.25 -43.67 1.63 Allowed Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.46 ' O ' ' O ' ' A' ' 2' ' ' GLY . 1.3 m 60.52 126.41 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.248 -1.148 . . . . 0.0 110.217 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.77 ' O ' HD23 ' A' ' 4' ' ' LEU . 5.5 tt -88.38 -19.19 26.94 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.232 -0.917 . . . . 0.0 110.236 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 4' ' ' LEU . 78.3 p -43.03 -69.88 0.12 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.232 -0.918 . . . . 0.0 110.196 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -46.02 -53.49 10.04 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.224 -0.922 . . . . 0.0 110.201 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -53.08 -46.93 68.82 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.245 -0.909 . . . . 0.0 110.241 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.535 ' CE1' ' OD1' ' A' ' 12' ' ' ASN . 49.1 t80 -60.5 -54.58 43.79 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.284 -0.885 . . . . 0.0 110.178 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.8 tpp180 -56.25 -46.5 79.58 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.241 -0.912 . . . . 0.0 110.225 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.96 -46.62 88.84 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.255 -0.903 . . . . 0.0 110.21 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -61.36 -52.12 65.96 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.282 -0.886 . . . . 0.0 110.238 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.535 ' OD1' ' CE1' ' A' ' 8' ' ' PHE . 7.8 m120 -60.67 -42.17 96.54 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.249 -0.907 . . . . 0.0 110.214 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.17 -55.33 22.56 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.237 -0.915 . . . . 0.0 110.172 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 92.9 p -56.97 -46.65 82.05 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.254 -0.904 . . . . 0.0 110.184 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 13.1 t80 -61.66 -50.55 72.05 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.234 -0.916 . . . . 0.0 110.199 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.5 m -57.41 -55.98 27.82 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.29 -0.881 . . . . 0.0 110.189 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -60.71 -41.23 94.81 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.29 -0.882 . . . . 0.0 110.198 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.53 -65.17 0.73 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.225 -0.922 . . . . 0.0 110.166 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.426 ' HA ' HD13 ' A' ' 19' ' ' LEU . 1.5 mm? -55.42 -19.94 10.74 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.229 -0.919 . . . . 0.0 110.211 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 21' ' ' LYS . . . -78.02 0.28 73.41 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.507 -1.437 . . . . 0.0 109.507 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 20' ' ' GLY . 5.4 mtpt -44.0 -62.07 1.25 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.001 -1.293 . . . . 0.0 110.149 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.36 0 O-C-N 119.845 -1.785 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 98.1 p . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.224 0.535 . . . . 0.0 110.163 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -141.16 52.55 0.68 Allowed Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.3 t -139.97 -53.88 0.53 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.254 -1.145 . . . . 0.0 110.226 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.758 HD13 ' HB3' ' A' ' 8' ' ' PHE . 0.5 OUTLIER -68.22 -80.29 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.317 -0.864 . . . . 0.0 110.194 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.469 ' O ' ' O ' ' A' ' 4' ' ' LEU . 3.7 m 54.09 166.33 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.332 -0.855 . . . . 0.0 110.406 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.465 ' O ' ' HB2' ' A' ' 10' ' ' LEU . 20.6 m -50.21 -36.07 29.24 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.229 -0.919 . . . . 0.0 109.934 179.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -53.91 -61.62 2.18 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.322 -0.861 . . . . 0.0 109.967 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.758 ' HB3' HD13 ' A' ' 4' ' ' LEU . 3.6 t80 -62.12 -43.51 98.68 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.255 -0.903 . . . . 0.0 109.87 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -59.44 -47.89 83.73 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.217 -0.927 . . . . 0.0 109.962 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.465 ' HB2' ' O ' ' A' ' 6' ' ' THR . 2.8 tp -63.16 -47.31 83.22 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.215 -0.928 . . . . 0.0 109.989 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -56.72 -46.54 81.23 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.273 -0.892 . . . . 0.0 109.971 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -63.91 -52.41 60.01 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.276 -0.89 . . . . 0.0 110.072 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.35 -49.01 68.03 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.298 -0.876 . . . . 0.0 110.018 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 37.1 t -61.22 -52.0 66.62 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.319 -0.863 . . . . 0.0 110.098 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -55.11 -43.01 73.66 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.218 -0.926 . . . . 0.0 110.012 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.9 m -64.24 -50.47 67.87 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.267 -0.895 . . . . 0.0 110.152 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -56.57 -47.39 79.6 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.281 -0.887 . . . . 0.0 110.206 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.8 -45.67 88.65 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.164 -0.96 . . . . 0.0 110.172 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.517 HD23 ' O ' ' A' ' 19' ' ' LEU . 3.2 tt -50.45 -42.1 53.7 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.305 -0.872 . . . . 0.0 110.227 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.454 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . 93.65 0.5 66.79 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.531 -1.428 . . . . 0.0 109.531 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.454 ' CB ' ' O ' ' A' ' 20' ' ' GLY . 4.0 tttp 66.53 -70.09 0.11 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.058 -1.26 . . . . 0.0 110.204 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . 0.425 ' N ' ' O ' ' A' ' 20' ' ' GLY . . . . . . . . 0 C--N 1.305 -1.333 0 O-C-N 119.951 -1.718 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.8 m . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.209 0.528 . . . . 0.0 110.164 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -70.72 -115.5 0.04 OUTLIER Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.569 -1.412 . . . . 0.0 109.569 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -133.98 91.9 2.88 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.24 -1.153 . . . . 0.0 110.249 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.534 ' HA ' ' HB3' ' A' ' 8' ' ' PHE . 2.2 tp -166.38 -143.11 0.05 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.364 -0.835 . . . . 0.0 110.21 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.6 t 52.31 -179.53 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.282 -0.886 . . . . 0.0 110.259 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -48.95 -49.4 40.6 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.269 -0.894 . . . . 0.0 110.249 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.407 ' C ' ' O ' ' A' ' 6' ' ' THR . 28.2 m-85 -43.03 -63.82 0.74 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.238 -0.914 . . . . 0.0 110.069 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.534 ' HB3' ' HA ' ' A' ' 4' ' ' LEU . 12.3 t80 -58.64 -45.21 89.77 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.282 -0.886 . . . . 0.0 110.084 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.08 -48.26 80.68 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.301 -0.874 . . . . 0.0 110.164 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.4 tp -62.45 -50.93 69.5 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.297 -0.877 . . . . 0.0 110.122 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -55.22 -43.54 74.57 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.301 -0.874 . . . . 0.0 110.064 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.95 -48.95 69.61 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.317 -0.864 . . . . 0.0 110.167 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.6 ttt-85 -56.85 -53.65 55.49 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.275 -0.891 . . . . 0.0 110.201 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 91.2 p -62.39 -47.12 85.53 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.271 -0.893 . . . . 0.0 110.19 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.484 ' CE1' HD13 ' A' ' 19' ' ' LEU . 43.5 t80 -59.77 -44.36 93.91 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.239 -0.913 . . . . 0.0 110.207 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.478 HG22 ' HD2' ' A' ' 21' ' ' LYS . 24.9 m -65.62 -46.65 78.47 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.275 -0.891 . . . . 0.0 110.197 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -61.08 -42.6 98.81 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.306 -0.871 . . . . 0.0 110.179 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.39 -52.24 35.2 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.278 -0.889 . . . . 0.0 110.199 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.484 HD13 ' CE1' ' A' ' 15' ' ' PHE . 3.6 tp -49.68 -30.67 9.52 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.257 -0.902 . . . . 0.0 110.191 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.8 0.19 87.72 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.478 ' HD2' HG22 ' A' ' 16' ' ' THR . 1.1 mttm 52.25 -179.5 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.086 -1.243 . . . . 0.0 110.247 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.318 0 O-C-N 119.886 -1.759 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.201 0.524 . . . . 0.0 110.205 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -175.42 -84.72 0.06 OUTLIER Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.439 ' OG ' ' HB2' ' A' ' 8' ' ' PHE . 27.8 t -67.1 176.84 1.98 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.27 -1.136 . . . . 0.0 110.24 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.416 ' O ' ' HB3' ' A' ' 8' ' ' PHE . 0.6 OUTLIER -119.99 157.75 28.19 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.288 -0.882 . . . . 0.0 110.238 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -44.08 -74.15 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.199 -0.938 . . . . 0.0 110.155 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -50.27 -59.33 4.06 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.318 -0.864 . . . . 0.0 110.138 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -49.46 -60.78 2.54 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.347 -0.846 . . . . 0.0 110.212 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.439 ' HB2' ' OG ' ' A' ' 3' ' ' SER . 48.2 t80 -45.98 -55.46 6.8 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.244 -0.91 . . . . 0.0 110.269 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -53.26 -58.71 6.13 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.23 -0.919 . . . . 0.0 110.174 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 mp -50.41 -44.98 55.3 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.281 -0.887 . . . . 0.0 110.167 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -60.9 -53.39 57.89 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.214 -0.929 . . . . 0.0 110.218 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.437 ' O ' ' OG1' ' A' ' 16' ' ' THR . 48.9 t-20 -55.14 -52.73 62.37 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.281 -0.887 . . . . 0.0 110.169 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.404 ' HD2' ' N ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -58.43 -57.56 12.38 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.32 -0.862 . . . . 0.0 110.223 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.404 ' N ' ' HD2' ' A' ' 13' ' ' ARG . 16.5 m -52.45 -47.22 66.55 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.222 -0.924 . . . . 0.0 110.171 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.69 ' CD2' HD13 ' A' ' 19' ' ' LEU . 7.5 t80 -58.49 -55.87 29.49 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.299 -0.876 . . . . 0.0 110.188 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' A' ' 12' ' ' ASN . 0.7 OUTLIER -52.99 -51.92 60.01 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.28 -0.888 . . . . 0.0 110.243 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.35 -51.15 68.76 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.282 -0.886 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.24 -68.95 0.3 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.276 -0.89 . . . . 0.0 110.171 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.69 HD13 ' CD2' ' A' ' 15' ' ' PHE . 0.3 OUTLIER -60.97 -12.14 10.38 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.341 -0.849 . . . . 0.0 110.378 -179.93 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.64 -0.04 57.68 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.647 -1.381 . . . . 0.0 109.647 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.1 tptp -79.27 130.51 35.53 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.007 -1.29 . . . . 0.0 110.231 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.36 0 O-C-N 119.808 -1.807 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 121.252 0.549 . . . . 0.0 110.233 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.45 ' O ' ' HB2' ' A' ' 3' ' ' SER . . . 76.0 -72.52 1.83 Allowed Glycine 0 N--CA 1.489 2.206 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.45 ' HB2' ' O ' ' A' ' 2' ' ' GLY . 1.4 t -179.28 -165.77 0.08 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.269 -1.136 . . . . 0.0 110.221 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.5 mt -85.32 14.62 5.11 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.263 -0.898 . . . . 0.0 110.201 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.3 -56.0 10.9 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.232 -0.918 . . . . 0.0 110.174 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.589 HG23 ' N ' ' A' ' 7' ' ' PHE . 6.9 t -51.44 -44.09 62.25 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.267 -0.896 . . . . 0.0 110.155 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.589 ' N ' HG23 ' A' ' 6' ' ' THR . 0.1 OUTLIER -64.3 -62.83 1.36 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.218 -0.926 . . . . 0.0 110.183 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -49.04 -52.51 24.91 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.247 -0.908 . . . . 0.0 110.165 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.4 mmt180 -56.37 -54.01 50.61 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.287 -0.883 . . . . 0.0 110.137 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -51.28 -47.03 62.62 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.283 -0.886 . . . . 0.0 110.183 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -61.63 -50.58 71.98 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.247 -0.908 . . . . 0.0 110.146 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.418 ' O ' ' OG1' ' A' ' 16' ' ' THR . 21.4 m120 -60.31 -53.77 53.69 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.247 -0.908 . . . . 0.0 110.175 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.59 -54.62 41.79 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.232 -0.918 . . . . 0.0 110.147 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 18.8 p -56.2 -40.52 74.14 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.251 -0.906 . . . . 0.0 110.147 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -62.72 -51.7 66.13 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.273 -0.892 . . . . 0.0 110.198 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' A' ' 12' ' ' ASN . 0.2 OUTLIER -64.42 -46.14 84.52 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.16 -0.962 . . . . 0.0 110.228 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -60.81 -41.83 96.47 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.246 -0.909 . . . . 0.0 110.191 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.84 -58.57 3.72 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.271 -0.893 . . . . 0.0 110.173 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.4 tp -52.91 -20.17 3.14 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.29 -0.881 . . . . 0.0 110.239 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.53 0.31 70.33 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -135.63 -87.84 0.34 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.011 -1.287 . . . . 0.0 110.23 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.329 0 O-C-N 119.835 -1.79 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 12.1 t . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.246 0.546 . . . . 0.0 110.234 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 139.94 115.04 1.21 Allowed Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.636 -1.386 . . . . 0.0 109.636 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.0 m -115.08 -50.79 2.75 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.285 -1.126 . . . . 0.0 110.194 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 4' ' ' LEU . 10.9 tp -118.22 -42.42 2.79 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.281 -0.887 . . . . 0.0 110.231 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 6' ' ' THR . 19.0 m -45.33 -65.7 0.5 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.225 -0.922 . . . . 0.0 110.168 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 5' ' ' SER . 96.0 m -43.52 -58.76 2.46 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.342 -0.849 . . . . 0.0 110.211 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -50.58 -50.49 53.6 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.281 -0.887 . . . . 0.0 110.231 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.22 -53.93 46.89 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.322 -0.861 . . . . 0.0 110.224 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -55.1 -48.51 73.49 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.281 -0.887 . . . . 0.0 110.209 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.0 tp -56.76 -51.55 68.45 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.309 -0.869 . . . . 0.0 110.191 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.49 -52.39 65.59 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.269 -0.895 . . . . 0.0 110.245 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -55.06 -45.82 75.35 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.194 -0.941 . . . . 0.0 110.235 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.3 mmt180 -63.92 -50.57 68.16 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.253 -0.904 . . . . 0.0 110.224 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.1 t -55.21 -47.31 75.47 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.176 -0.953 . . . . 0.0 110.199 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.465 ' O ' ' HB2' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -65.38 -54.53 27.47 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.213 -0.929 . . . . 0.0 110.218 -179.929 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.8 m -51.17 -42.44 60.84 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.225 -0.922 . . . . 0.0 110.21 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -76.47 -59.84 2.6 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.269 -0.895 . . . . 0.0 110.188 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -44.56 -54.58 5.93 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.318 -0.864 . . . . 0.0 110.221 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.686 HD23 ' HB2' ' A' ' 21' ' ' LYS . 0.2 OUTLIER -51.35 -61.19 2.39 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.285 -0.884 . . . . 0.0 110.199 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.32 0.25 43.87 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.487 -1.445 . . . . 0.0 109.487 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.686 ' HB2' HD23 ' A' ' 19' ' ' LEU . 0.9 OUTLIER -104.62 77.22 1.35 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.053 -1.263 . . . . 0.0 110.229 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.301 0 O-C-N 119.838 -1.789 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.188 0.518 . . . . 0.0 110.281 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 108.58 -95.79 0.95 Allowed Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.566 -1.414 . . . . 0.0 109.566 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.445 ' O ' ' OG ' ' A' ' 3' ' ' SER . 3.0 t 53.96 54.88 9.07 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.232 -1.158 . . . . 0.0 110.177 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 mp -78.14 -62.58 1.63 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.27 -0.893 . . . . 0.0 110.256 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.6 m -47.26 -58.52 4.01 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.248 -0.907 . . . . 0.0 110.207 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.0 p -46.63 -55.67 7.31 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.296 -0.877 . . . . 0.0 110.208 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -53.44 -56.35 17.61 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.3 -0.875 . . . . 0.0 110.195 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.57 -50.35 63.14 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.265 -0.897 . . . . 0.0 110.202 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.5 mmt-85 -57.9 -49.16 77.68 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.277 -0.889 . . . . 0.0 110.201 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.42 -52.25 65.35 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.269 -0.895 . . . . 0.0 110.192 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.79 -47.3 85.23 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.214 -0.929 . . . . 0.0 110.226 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -60.02 -50.55 73.27 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.298 -0.876 . . . . 0.0 110.211 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -58.02 -51.41 69.8 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.2 -0.938 . . . . 0.0 110.186 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.1 m -57.38 -46.01 83.87 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.258 -0.901 . . . . 0.0 110.202 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.639 ' O ' HD23 ' A' ' 19' ' ' LEU . 86.2 t80 -61.16 -54.93 38.26 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.137 -0.977 . . . . 0.0 110.185 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 38.1 m -56.32 -38.63 71.57 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.244 -0.91 . . . . 0.0 110.212 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.493 ' O ' ' N ' ' A' ' 21' ' ' LYS . 1.6 mm-40 -73.38 -58.1 3.54 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.276 -0.89 . . . . 0.0 110.184 -179.956 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.38 -34.47 57.77 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.22 -0.925 . . . . 0.0 110.2 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.639 HD23 ' O ' ' A' ' 15' ' ' PHE . 2.8 mm? -64.53 -51.43 62.93 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.241 -0.912 . . . . 0.0 110.151 -179.941 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -91.22 0.17 74.86 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.543 -1.423 . . . . 0.0 109.543 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 17' ' ' GLN . 9.0 tttt -138.41 81.83 1.87 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.966 -1.314 . . . . 0.0 110.233 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.331 0 O-C-N 119.835 -1.791 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 12.9 m . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 121.249 0.547 . . . . 0.0 110.241 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -107.94 26.44 17.43 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.536 -1.426 . . . . 0.0 109.536 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -112.98 -154.95 0.55 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.233 -1.157 . . . . 0.0 110.249 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.546 ' CA ' ' HB2' ' A' ' 8' ' ' PHE . 0.2 OUTLIER 49.74 -145.31 0.44 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.224 -0.922 . . . . 0.0 110.216 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.9 m 52.67 -178.36 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.259 -0.901 . . . . 0.0 110.28 179.919 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 7' ' ' PHE . 3.3 m -47.86 -49.24 30.12 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.361 -0.837 . . . . 0.0 110.206 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.432 ' C ' ' O ' ' A' ' 6' ' ' THR . 0.3 OUTLIER -42.81 -65.06 0.52 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.266 -0.896 . . . . 0.0 110.084 -179.948 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.546 ' HB2' ' CA ' ' A' ' 4' ' ' LEU . 2.6 t80 -58.49 -47.22 84.82 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.26 -0.9 . . . . 0.0 110.028 179.879 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.453 ' O ' ' HD3' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -57.02 -46.81 82.09 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.233 -0.917 . . . . 0.0 110.09 179.862 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.462 ' O ' ' HB3' ' A' ' 14' ' ' SER . 0.1 OUTLIER -62.93 -45.33 92.98 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.333 -0.855 . . . . 0.0 110.066 179.883 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.452 ' O ' ' HB2' ' A' ' 15' ' ' PHE . 0.9 OUTLIER -58.68 -50.17 74.87 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.287 -0.883 . . . . 0.0 110.111 179.918 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.455 ' OD1' ' O ' ' A' ' 8' ' ' PHE . 17.8 m120 -63.05 -55.93 21.28 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.231 -0.918 . . . . 0.0 110.132 179.935 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.453 ' HD3' ' O ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -55.04 -49.22 72.11 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.219 -0.926 . . . . 0.0 110.162 179.954 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.462 ' HB3' ' O ' ' A' ' 10' ' ' LEU . 3.7 t -58.54 -47.54 83.85 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.303 -0.873 . . . . 0.0 110.166 179.903 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.452 ' HB2' ' O ' ' A' ' 11' ' ' PHE . 0.1 OUTLIER -57.9 -50.36 73.59 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.176 -0.952 . . . . 0.0 110.154 179.917 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.3 m -59.67 -44.49 93.58 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.322 -0.862 . . . . 0.0 110.151 179.949 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -69.64 -53.64 17.74 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.257 -0.902 . . . . 0.0 110.187 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.08 -44.8 67.82 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.198 -0.939 . . . . 0.0 110.178 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.452 HD12 ' O ' ' A' ' 15' ' ' PHE . 34.6 mt -57.61 -45.45 85.33 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.361 -0.837 . . . . 0.0 110.144 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.421 ' C ' ' HG3' ' A' ' 21' ' ' LYS . . . 77.91 0.16 74.41 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.421 ' HG3' ' C ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -135.05 171.73 14.01 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.065 -1.256 . . . . 0.0 110.208 -179.927 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.374 0 O-C-N 119.823 -1.798 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 33.0 t . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.18 0.515 . . . . 0.0 110.162 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -73.71 88.31 0.64 Allowed Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.96 95.43 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.199 -1.177 . . . . 0.0 110.204 179.947 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -150.57 -69.23 0.19 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.24 -0.912 . . . . 0.0 110.237 179.946 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 6' ' ' THR . 1.6 t -61.57 -73.59 0.1 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.19 -0.944 . . . . 0.0 110.246 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 5' ' ' SER . 74.5 p -42.99 -42.19 3.69 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.262 -0.899 . . . . 0.0 110.194 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -59.77 -59.48 5.37 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.161 -0.962 . . . . 0.0 110.188 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -55.69 -46.73 77.56 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.212 -0.93 . . . . 0.0 110.217 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.0 ttt85 -56.33 -52.46 64.48 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.256 -0.902 . . . . 0.0 110.168 -179.953 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.85 -48.55 80.96 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.281 -0.887 . . . . 0.0 110.231 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -55.89 -47.92 76.55 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.251 -0.906 . . . . 0.0 110.269 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -63.22 -56.77 13.81 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.217 -0.927 . . . . 0.0 110.206 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.91 -46.63 52.12 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.229 -0.919 . . . . 0.0 110.295 179.959 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 t -63.56 -50.87 67.8 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.249 -0.907 . . . . 0.0 110.262 179.879 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.15 -47.8 82.94 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.249 -0.907 . . . . 0.0 110.239 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.8 m -62.85 -43.18 99.47 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.269 -0.894 . . . . 0.0 110.27 179.899 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -63.3 -48.44 78.05 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.259 -0.901 . . . . 0.0 110.188 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.1 -45.01 94.05 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.358 -0.839 . . . . 0.0 110.229 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.427 HD23 ' C ' ' A' ' 19' ' ' LEU . 7.7 tt -52.31 -42.01 63.44 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.211 -0.93 . . . . 0.0 110.195 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -78.98 0.12 80.0 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.629 -1.388 . . . . 0.0 109.629 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -125.67 42.96 3.18 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.964 -1.315 . . . . 0.0 110.233 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.335 0 O-C-N 119.862 -1.774 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.192 0.52 . . . . 0.0 110.289 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -81.32 -155.74 14.03 Favored Glycine 0 N--CA 1.488 2.156 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.491 ' OG ' ' N ' ' A' ' 4' ' ' LEU . 30.1 t -117.35 -149.16 0.44 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.193 -1.18 . . . . 0.0 110.261 179.943 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.491 ' N ' ' OG ' ' A' ' 3' ' ' SER . 1.2 mp -119.93 6.31 10.88 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.271 -0.893 . . . . 0.0 110.228 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 4' ' ' LEU . 5.0 t -43.34 -58.46 2.54 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.262 -0.899 . . . . 0.0 110.189 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.22 -61.83 1.93 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.313 -0.867 . . . . 0.0 110.173 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -47.18 -62.35 1.46 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.26 -0.9 . . . . 0.0 110.251 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -48.1 -51.41 24.67 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.3 -0.875 . . . . 0.0 110.15 179.946 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.73 -52.23 50.12 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.24 -0.912 . . . . 0.0 110.108 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.42 -44.32 89.02 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.204 -0.935 . . . . 0.0 110.23 179.878 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.551 ' CZ ' ' CE1' ' A' ' 15' ' ' PHE . 60.8 t80 -58.36 -54.87 42.13 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.24 -0.913 . . . . 0.0 110.225 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -58.09 -49.09 78.13 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.308 -0.87 . . . . 0.0 110.184 179.923 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.29 -53.33 55.17 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.232 -0.917 . . . . 0.0 110.19 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.33 -42.83 92.38 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.258 -0.902 . . . . 0.0 110.132 179.942 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.551 ' CE1' ' CZ ' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -58.44 -51.8 68.29 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.321 -0.862 . . . . 0.0 110.237 179.952 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.4 p -62.78 -43.85 97.73 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.248 -0.907 . . . . 0.0 110.218 179.95 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.99 -48.66 79.33 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.295 -0.878 . . . . 0.0 110.181 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.18 -45.41 91.89 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.223 -0.923 . . . . 0.0 110.249 179.98 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.17 -42.67 95.5 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.228 -0.92 . . . . 0.0 110.196 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 115.16 0.22 22.43 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 45.5 87.76 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.072 -1.252 . . . . 0.0 110.208 179.94 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.354 0 O-C-N 119.839 -1.788 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 11.2 t . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 121.32 0.581 . . . . 0.0 110.194 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 161.89 157.3 8.82 Favored Glycine 0 N--CA 1.492 2.386 0 N-CA-C 109.501 -1.439 . . . . 0.0 109.501 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.7 t -56.11 -67.63 0.28 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.274 -1.133 . . . . 0.0 110.18 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.504 ' HB3' ' HB3' ' A' ' 7' ' ' PHE . 1.1 mt -116.83 43.53 2.24 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.245 -0.91 . . . . 0.0 110.262 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -42.89 -74.25 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.276 -0.89 . . . . 0.0 110.178 179.998 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 5' ' ' SER . 0.2 OUTLIER -43.69 -58.31 2.75 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.22 -0.925 . . . . 0.0 110.235 179.976 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.504 ' HB3' ' HB3' ' A' ' 4' ' ' LEU . 3.9 t80 -50.79 -62.02 1.86 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.247 -0.908 . . . . 0.0 110.173 -179.947 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.463 ' HB2' ' O ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -44.94 -54.64 6.28 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.251 -0.906 . . . . 0.0 110.214 -179.993 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.85 -57.29 10.72 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.191 -0.943 . . . . 0.0 110.189 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 mp -51.48 -49.48 61.71 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.219 -0.925 . . . . 0.0 110.188 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.98 -46.43 89.48 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.274 -0.891 . . . . 0.0 110.193 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -57.99 -53.56 56.81 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.248 -0.907 . . . . 0.0 110.207 180.0 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.53 -48.08 82.02 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.15 -0.969 . . . . 0.0 110.146 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 88.3 p -57.71 -43.92 85.57 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.228 -0.92 . . . . 0.0 110.18 -179.956 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -64.73 -52.2 58.34 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.274 -0.891 . . . . 0.0 110.228 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.8 m -63.59 -46.44 85.79 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.242 -0.911 . . . . 0.0 110.242 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -45.06 93.87 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.322 -0.861 . . . . 0.0 110.168 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.86 -46.68 83.9 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.171 -0.956 . . . . 0.0 110.218 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.8 tp -56.69 -34.14 67.12 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.215 -0.928 . . . . 0.0 110.221 179.921 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.415 ' O ' ' CG ' ' A' ' 21' ' ' LYS . . . -81.62 0.19 88.41 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 -179.94 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.415 ' CG ' ' O ' ' A' ' 20' ' ' GLY . 0.1 OUTLIER 175.9 -74.95 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.014 -1.286 . . . . 0.0 110.2 179.976 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.302 0 O-C-N 119.841 -1.787 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 69.2 m . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.214 0.53 . . . . 0.0 110.22 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 170.91 -151.26 15.46 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.524 -1.43 . . . . 0.0 109.524 -179.916 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.5 t -147.56 106.66 3.86 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.285 -1.126 . . . . 0.0 110.204 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 mp -106.71 -30.28 9.06 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.184 -0.947 . . . . 0.0 110.209 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.446 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -52.99 -56.09 18.65 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.245 -0.909 . . . . 0.0 110.205 -179.958 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.48 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 60.2 p -42.99 -60.29 1.68 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.255 -0.903 . . . . 0.0 110.219 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.9 -47.39 77.54 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.245 -0.909 . . . . 0.0 110.128 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -60.55 -69.4 0.23 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.257 -0.902 . . . . 0.0 110.189 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.512 ' HG3' ' N ' ' A' ' 10' ' ' LEU . 9.4 ptm180 -46.33 -36.78 6.65 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.221 -0.924 . . . . 0.0 110.192 179.942 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.512 ' N ' ' HG3' ' A' ' 9' ' ' ARG . 0.8 OUTLIER -64.1 -57.19 10.33 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.197 -0.94 . . . . 0.0 110.121 179.957 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -57.21 -47.44 81.3 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.268 -0.895 . . . . 0.0 110.132 179.923 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.431 ' O ' HG23 ' A' ' 16' ' ' THR . 19.5 t-20 -58.28 -54.63 44.79 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.301 -0.875 . . . . 0.0 110.091 179.926 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.448 ' O ' ' HG2' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -54.53 -50.88 66.82 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.256 -0.903 . . . . 0.0 110.136 179.966 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.8 m -56.99 -42.91 81.12 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.307 -0.87 . . . . 0.0 110.123 179.911 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -62.32 -49.64 74.81 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.275 -0.891 . . . . 0.0 110.126 179.947 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.431 HG23 ' O ' ' A' ' 12' ' ' ASN . 66.6 p -60.35 -43.31 96.62 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.226 -0.921 . . . . 0.0 110.173 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.448 ' HG2' ' O ' ' A' ' 13' ' ' ARG . 50.1 mm-40 -63.31 -53.02 59.31 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.301 -0.874 . . . . 0.0 110.168 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.424 ' O ' ' HB2' ' A' ' 21' ' ' LYS . . . -66.84 -50.2 63.3 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.246 -0.909 . . . . 0.0 110.205 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.5 tt -53.64 -23.2 10.46 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.318 -0.864 . . . . 0.0 110.127 -179.957 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 21' ' ' LYS . . . -107.32 0.23 35.11 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 -179.938 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 18' ' ' ALA . 1.2 ttpp -44.13 165.14 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.968 -1.313 . . . . 0.0 110.174 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.317 0 O-C-N 119.79 -1.819 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 121.201 0.524 . . . . 0.0 110.196 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -129.9 173.4 19.81 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.9 m -125.2 57.18 1.31 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.239 -1.153 . . . . 0.0 110.178 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.93 -11.28 51.1 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.227 -0.921 . . . . 0.0 110.259 179.936 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -45.33 -47.34 13.27 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.283 -0.886 . . . . 0.0 110.252 179.945 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -50.57 -66.75 0.33 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.297 -0.877 . . . . 0.0 110.217 179.952 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -53.89 -55.33 27.81 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.237 -0.914 . . . . 0.0 110.212 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -52.35 -57.06 10.98 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.268 -0.895 . . . . 0.0 110.254 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.87 -46.08 74.68 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.214 -0.929 . . . . 0.0 110.22 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.3 tp -55.91 -54.79 40.36 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.248 -0.908 . . . . 0.0 110.195 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -57.96 -53.18 61.15 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.272 -0.893 . . . . 0.0 110.226 179.944 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 -53.67 -53.62 49.41 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.245 -0.91 . . . . 0.0 110.178 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -55.39 -47.55 75.69 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.207 -0.933 . . . . 0.0 110.145 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.6 t -57.02 -51.09 70.65 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.258 -0.901 . . . . 0.0 110.214 179.913 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -59.24 -43.61 92.4 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.194 -0.941 . . . . 0.0 110.129 179.995 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.1 m -62.04 -48.9 78.18 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.264 -0.898 . . . . 0.0 110.147 -179.935 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.44 -46.7 88.98 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.273 -0.892 . . . . 0.0 110.219 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.461 ' O ' ' O ' ' A' ' 21' ' ' LYS . . . -65.42 -48.88 71.25 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.229 -0.92 . . . . 0.0 110.203 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.53 HD23 ' C ' ' A' ' 19' ' ' LEU . 6.1 tt -54.17 -33.21 57.53 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.317 -0.864 . . . . 0.0 110.231 179.958 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.24 0.22 64.13 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.561 -1.416 . . . . 0.0 109.561 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.461 ' O ' ' O ' ' A' ' 18' ' ' ALA . 5.8 mtpp -143.7 150.92 39.39 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.022 -1.281 . . . . 0.0 110.238 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.329 0 O-C-N 119.896 -1.753 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 44.0 p . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.257 0.551 . . . . 0.0 110.25 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.438 ' O ' ' CB ' ' A' ' 3' ' ' SER . . . 95.14 -156.43 21.75 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.565 -1.414 . . . . 0.0 109.565 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.438 ' CB ' ' O ' ' A' ' 2' ' ' GLY . 0.1 OUTLIER 172.5 -163.83 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.257 -1.143 . . . . 0.0 110.168 179.989 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 63.27 16.26 9.3 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.287 -0.883 . . . . 0.0 110.222 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -46.16 -62.44 1.33 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.212 -0.93 . . . . 0.0 110.182 179.932 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -46.78 -54.3 10.09 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.255 -0.903 . . . . 0.0 110.186 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.18 -52.07 60.03 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.246 -0.909 . . . . 0.0 110.205 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -54.11 -53.75 48.94 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.276 -0.89 . . . . 0.0 110.211 179.959 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -54.26 -51.15 65.44 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.219 -0.926 . . . . 0.0 110.175 179.921 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.37 -46.99 76.47 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.216 -0.928 . . . . 0.0 110.139 -179.937 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.415 ' CE1' ' CD2' ' A' ' 15' ' ' PHE . 50.5 t80 -60.06 -50.3 74.27 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.251 -0.905 . . . . 0.0 110.143 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.415 ' O ' HG23 ' A' ' 16' ' ' THR . 5.6 t-20 -57.42 -46.03 83.97 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.213 -0.93 . . . . 0.0 110.176 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.523 ' HG2' ' NE2' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -63.04 -54.28 40.65 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.294 -0.879 . . . . 0.0 110.239 179.971 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.55 -47.53 69.94 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.297 -0.877 . . . . 0.0 110.191 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.467 ' O ' ' HB2' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -65.03 -49.88 68.42 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.214 -0.929 . . . . 0.0 110.266 179.92 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.455 ' OG1' ' O ' ' A' ' 13' ' ' ARG . 6.8 p -53.62 -43.57 68.81 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.321 -0.862 . . . . 0.0 110.225 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.523 ' NE2' ' HG2' ' A' ' 13' ' ' ARG . 59.3 mt-30 -69.8 -53.55 17.72 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.304 -0.872 . . . . 0.0 110.149 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.51 -44.73 76.89 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.229 -0.919 . . . . 0.0 110.234 -179.957 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.763 HD13 ' CG ' ' A' ' 21' ' ' LYS . 0.3 OUTLIER -51.4 -56.86 10.88 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.219 -0.926 . . . . 0.0 110.187 179.995 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.13 0.25 31.48 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.763 ' CG ' HD13 ' A' ' 19' ' ' LEU . 18.7 mmtp -62.83 -179.96 0.32 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.1 -1.235 . . . . 0.0 110.183 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.307 0 O-C-N 119.904 -1.748 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 85.1 p . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.217 0.532 . . . . 0.0 110.174 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -128.04 172.74 19.05 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 179.988 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.2 t -160.03 53.84 0.35 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.291 -1.123 . . . . 0.0 110.265 -179.928 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 5' ' ' SER . 0.2 OUTLIER -126.51 15.97 7.63 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.282 -0.886 . . . . 0.0 110.203 -179.962 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.451 ' O ' ' CB ' ' A' ' 9' ' ' ARG . 39.2 p -44.57 -54.63 5.9 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.204 -0.935 . . . . 0.0 110.185 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.418 ' N ' ' OG ' ' A' ' 5' ' ' SER . 41.1 m -54.44 -61.13 2.5 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.311 -0.868 . . . . 0.0 110.224 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.06 -66.06 0.45 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.288 -0.883 . . . . 0.0 110.173 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -49.44 -57.55 6.78 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.224 -0.922 . . . . 0.0 110.249 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.451 ' CB ' ' O ' ' A' ' 5' ' ' SER . 0.2 OUTLIER -50.23 -50.58 49.41 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.171 -0.956 . . . . 0.0 110.244 179.998 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.27 -54.57 41.83 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.258 -0.901 . . . . 0.0 110.214 179.942 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -53.68 -53.88 45.81 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.211 -0.931 . . . . 0.0 110.217 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -53.35 -51.42 62.51 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.289 -0.882 . . . . 0.0 110.183 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.5 ttp180 -55.79 -56.03 25.4 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.224 -0.923 . . . . 0.0 110.227 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.39 -41.73 66.23 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.272 -0.892 . . . . 0.0 110.212 179.949 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.428 ' O ' ' CB ' ' A' ' 19' ' ' LEU . 0.1 OUTLIER -63.2 -48.74 77.06 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.32 -0.863 . . . . 0.0 110.216 179.957 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.7 m -61.7 -40.14 93.98 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.204 -0.935 . . . . 0.0 110.228 179.958 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -66.86 -55.35 15.13 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.259 -0.901 . . . . 0.0 110.216 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.19 -50.59 65.31 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.231 -0.918 . . . . 0.0 110.253 179.953 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.428 ' CB ' ' O ' ' A' ' 15' ' ' PHE . 46.3 tp -54.62 -32.12 58.36 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.172 -0.955 . . . . 0.0 110.221 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -86.2 0.23 87.24 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.19 -60.5 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.085 -1.244 . . . . 0.0 110.202 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.365 0 O-C-N 119.852 -1.78 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 N--CA 1.493 1.689 0 CA-C-O 121.281 0.562 . . . . 0.0 110.188 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -170.43 -70.63 0.04 OUTLIER Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.507 -1.437 . . . . 0.0 109.507 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.56 58.44 4.34 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.249 -1.148 . . . . 0.0 110.226 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 5' ' ' SER . 0.9 OUTLIER -102.49 1.98 35.79 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.262 -0.899 . . . . 0.0 110.179 -179.953 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 4' ' ' LEU . 61.1 m -43.25 -68.25 0.21 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.216 -0.927 . . . . 0.0 110.179 -179.959 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.629 ' O ' HD13 ' A' ' 10' ' ' LEU . 2.3 p -43.78 -61.64 1.36 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.246 -0.908 . . . . 0.0 110.172 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -45.62 -63.9 0.85 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.237 -0.915 . . . . 0.0 110.207 -179.944 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -45.16 -57.18 4.1 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.264 -0.897 . . . . 0.0 110.2 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.54 -48.23 63.1 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.265 -0.897 . . . . 0.0 110.254 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.629 HD13 ' O ' ' A' ' 6' ' ' THR . 8.2 mp -56.98 -52.55 64.79 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.243 -0.91 . . . . 0.0 110.231 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.6 -53.06 62.03 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.258 -0.901 . . . . 0.0 110.219 179.956 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.469 ' O ' HG23 ' A' ' 16' ' ' THR . 0.1 OUTLIER -53.78 -50.57 65.78 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.238 -0.914 . . . . 0.0 110.186 -179.95 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.442 ' O ' ' HB2' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -57.4 -53.36 58.98 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.225 -0.922 . . . . 0.0 110.202 -179.953 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 59.4 m -53.43 -51.76 61.61 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.235 -0.916 . . . . 0.0 110.226 -179.963 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -57.23 -57.11 14.07 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.318 -0.864 . . . . 0.0 110.193 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.469 HG23 ' O ' ' A' ' 12' ' ' ASN . 64.2 p -53.42 -48.62 68.58 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.155 -0.965 . . . . 0.0 110.138 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.442 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -55.94 -56.29 22.45 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.207 -0.933 . . . . 0.0 110.211 179.954 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.99 -64.53 0.92 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.28 -0.887 . . . . 0.0 110.181 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.418 ' HA ' HD22 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -56.72 -16.38 6.31 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.279 -0.888 . . . . 0.0 110.258 -179.964 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -100.22 0.28 55.95 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.658 -1.377 . . . . 0.0 109.658 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.7 mtpt 53.82 62.44 2.61 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.038 -1.272 . . . . 0.0 110.184 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.377 0 O-C-N 119.923 -1.735 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.257 0.551 . . . . 0.0 110.223 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -97.01 148.96 19.17 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 179.925 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.416 ' O ' ' HB2' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -124.39 -52.5 1.72 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.272 -1.134 . . . . 0.0 110.182 179.993 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 8' ' ' PHE . 0.2 OUTLIER 178.03 157.82 0.43 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.251 -0.906 . . . . 0.0 110.184 179.991 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 4' ' ' LEU . 12.2 t -42.9 -64.46 0.62 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.242 -0.911 . . . . 0.0 110.252 179.918 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.26 -56.25 20.19 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.303 -0.873 . . . . 0.0 110.256 179.967 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -56.34 -59.18 5.33 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.257 -0.902 . . . . 0.0 110.166 179.948 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.462 ' N ' ' O ' ' A' ' 4' ' ' LEU . 4.7 t80 -46.37 -59.18 3.1 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.26 -0.9 . . . . 0.0 110.182 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.85 -43.85 66.36 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.23 -0.919 . . . . 0.0 110.124 179.964 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.551 HD23 ' O ' ' A' ' 10' ' ' LEU . 1.7 tt -57.5 -53.48 57.62 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.285 -0.884 . . . . 0.0 110.207 179.988 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.96 -46.07 88.95 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.126 -0.984 . . . . 0.0 110.144 179.998 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 36.6 t30 -57.56 -58.24 9.18 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.3 -0.875 . . . . 0.0 110.125 179.999 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.33 -52.6 62.96 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.242 -0.912 . . . . 0.0 110.156 -179.951 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.433 ' HB2' ' O ' ' A' ' 10' ' ' LEU . 0.6 OUTLIER -52.25 -45.38 65.35 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.284 -0.885 . . . . 0.0 110.209 179.939 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.45 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 2.4 m-85 -63.13 -52.32 63.0 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.312 -0.868 . . . . 0.0 110.163 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -57.4 -49.89 74.74 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.246 -0.909 . . . . 0.0 110.152 -179.982 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -60.83 -42.23 97.33 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.263 -0.898 . . . . 0.0 110.261 179.942 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.51 -45.16 94.26 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.279 -0.888 . . . . 0.0 110.22 179.937 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' ' 19' ' ' LEU . 38.3 mt -52.7 -55.46 22.47 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.235 -0.915 . . . . 0.0 110.144 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 125.54 0.16 7.93 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 -179.951 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -85.53 162.15 19.03 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.994 -1.297 . . . . 0.0 110.129 -179.975 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.33 0 O-C-N 119.82 -1.8 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 42.6 p . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.237 0.541 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -119.1 -114.23 2.54 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 179.906 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.512 ' O ' ' N ' ' A' ' 5' ' ' SER . 0.7 OUTLIER 58.76 36.29 24.75 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.21 -1.171 . . . . 0.0 110.238 -179.965 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.581 ' HA ' ' CB ' ' A' ' 8' ' ' PHE . 0.1 OUTLIER 64.15 -70.58 0.07 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.276 -0.89 . . . . 0.0 110.245 -179.951 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.512 ' N ' ' O ' ' A' ' 3' ' ' SER . 0.9 OUTLIER 54.38 165.77 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.35 -0.843 . . . . 0.0 110.39 179.921 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.522 ' O ' ' CB ' ' A' ' 10' ' ' LEU . 24.0 m -50.73 -33.71 24.09 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.213 -0.929 . . . . 0.0 109.945 179.964 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -56.89 -60.06 4.12 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.323 -0.861 . . . . 0.0 109.998 179.889 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.581 ' CB ' ' HA ' ' A' ' 4' ' ' LEU . 13.1 t80 -64.58 -47.44 78.67 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.215 -0.928 . . . . 0.0 109.945 179.838 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.532 ' HG3' ' CD2' ' A' ' 4' ' ' LEU . 5.9 mtt180 -60.61 -41.29 94.5 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.333 -0.855 . . . . 0.0 110.066 179.866 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.522 ' CB ' ' O ' ' A' ' 6' ' ' THR . 4.8 tp -66.57 -50.02 64.5 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.193 -0.942 . . . . 0.0 110.186 179.889 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -59.95 -40.87 90.47 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.258 -0.901 . . . . 0.0 110.123 179.97 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.469 ' OD1' ' CE1' ' A' ' 8' ' ' PHE . 1.4 m120 -67.98 -51.71 44.21 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.184 -0.947 . . . . 0.0 110.18 179.997 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -59.12 -50.99 71.95 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.274 -0.891 . . . . 0.0 110.228 179.937 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.457 ' HB2' ' O ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -62.22 -46.67 87.82 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.284 -0.885 . . . . 0.0 110.176 179.999 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -60.63 -50.18 74.53 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.241 -0.912 . . . . 0.0 110.211 -179.999 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 50.7 m -60.18 -52.21 66.29 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.272 -0.892 . . . . 0.0 110.184 179.999 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.8 tm0? -62.35 -44.09 97.28 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.188 -0.945 . . . . 0.0 110.217 179.984 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.7 -51.64 69.08 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.186 -0.946 . . . . 0.0 110.22 -179.947 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.43 -50.84 68.76 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.265 -0.897 . . . . 0.0 110.216 179.973 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.98 0.05 81.52 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 179.962 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.72 20.47 3.0 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.014 -1.286 . . . . 0.0 110.228 -179.925 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.322 0 O-C-N 119.782 -1.824 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.5 p . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.186 0.517 . . . . 0.0 110.197 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -85.45 172.71 47.18 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 -179.996 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.58 -163.08 1.34 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.215 -1.168 . . . . 0.0 110.122 -179.937 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.478 ' O ' ' N ' ' A' ' 8' ' ' PHE . 0.3 OUTLIER -158.88 162.85 36.97 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.215 -0.928 . . . . 0.0 110.202 -179.964 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.48 ' O ' ' HB2' ' A' ' 9' ' ' ARG . 37.6 t -43.08 -70.59 0.1 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.308 -0.87 . . . . 0.0 110.255 179.986 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.448 ' O ' ' HB2' ' A' ' 10' ' ' LEU . 0.2 OUTLIER -46.81 -61.68 1.74 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.281 -0.887 . . . . 0.0 110.244 179.943 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -53.73 -68.01 0.21 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.294 -0.879 . . . . 0.0 110.171 179.995 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.478 ' N ' ' O ' ' A' ' 4' ' ' LEU . 17.8 t80 -48.63 -59.11 3.78 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.237 -0.914 . . . . 0.0 110.165 -179.973 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.48 ' HB2' ' O ' ' A' ' 5' ' ' SER . 0.0 OUTLIER -52.53 -49.25 65.21 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.266 -0.896 . . . . 0.0 110.247 179.988 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.448 ' HB2' ' O ' ' A' ' 6' ' ' THR . 0.7 OUTLIER -52.82 -52.53 56.64 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.168 -0.958 . . . . 0.0 110.24 179.952 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -59.19 -52.17 66.83 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.284 -0.885 . . . . 0.0 110.176 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -55.86 -54.94 38.44 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.256 -0.902 . . . . 0.0 110.159 -179.979 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.485 ' HD2' ' N ' ' A' ' 14' ' ' SER . 0.7 OUTLIER -54.29 -52.97 59.77 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.206 -0.934 . . . . 0.0 110.192 -179.955 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.485 ' N ' ' HD2' ' A' ' 13' ' ' ARG . 0.4 OUTLIER -54.83 -42.37 71.85 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.356 -0.84 . . . . 0.0 110.215 179.94 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.46 -55.16 26.43 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.201 -0.937 . . . . 0.0 110.214 179.968 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.01 -39.05 92.87 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.25 -0.906 . . . . 0.0 110.217 179.963 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.446 ' HG3' ' HG2' ' A' ' 13' ' ' ARG . 7.7 mm-40 -64.76 -47.39 78.32 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.19 -0.944 . . . . 0.0 110.197 179.981 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.35 -55.11 11.37 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.292 -0.88 . . . . 0.0 110.236 179.989 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.402 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 0.9 OUTLIER -55.42 -18.65 7.28 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.286 -0.884 . . . . 0.0 110.221 -179.97 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.36 0.2 89.22 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.619 -1.392 . . . . 0.0 109.619 179.966 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.434 ' HA ' ' CE ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -76.83 -10.62 59.5 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.999 -1.295 . . . . 0.0 110.196 -179.988 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.294 0 O-C-N 119.824 -1.798 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.209 0.528 . . . . 0.0 110.181 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 92.65 62.5 1.14 Allowed Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 -179.996 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 4' ' ' LEU . 17.0 p -173.13 125.16 0.43 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.181 -1.187 . . . . 0.0 110.186 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.558 ' HA ' ' CB ' ' A' ' 8' ' ' PHE . 35.6 mt 44.02 -146.2 0.09 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.263 -0.898 . . . . 0.0 110.107 179.927 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 m 54.0 -177.67 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.292 -0.88 . . . . 0.0 110.338 -179.994 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -48.38 -49.58 34.15 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.343 -0.848 . . . . 0.0 110.166 179.965 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.42 ' C ' ' O ' ' A' ' 6' ' ' THR . 1.7 m-30 -43.08 -63.59 0.78 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.262 -0.899 . . . . 0.0 110.109 179.945 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.558 ' CB ' ' HA ' ' A' ' 4' ' ' LEU . 30.6 t80 -58.24 -45.87 86.99 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.295 -0.878 . . . . 0.0 109.979 179.892 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.407 ' NH1' ' HB2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -57.95 -49.35 77.1 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.317 -0.865 . . . . 0.0 110.064 179.872 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.416 HD13 ' HA ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -60.34 -50.95 71.59 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.253 -0.904 . . . . 0.0 110.091 179.897 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.73 -46.71 74.28 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.216 -0.928 . . . . 0.0 109.969 179.826 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -61.19 -51.5 68.76 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.221 -0.925 . . . . 0.0 110.074 179.83 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.407 ' HB2' ' NH1' ' A' ' 9' ' ' ARG . 2.4 ttm-85 -54.29 -51.78 63.53 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.288 -0.883 . . . . 0.0 110.142 179.887 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.7 t -58.13 -50.57 73.04 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.257 -0.902 . . . . 0.0 110.081 179.957 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.421 ' O ' ' HB2' ' A' ' 19' ' ' LEU . 2.8 m-85 -54.64 -43.91 72.73 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.289 -0.882 . . . . 0.0 110.21 179.978 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 92.4 m -64.92 -47.37 77.98 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.236 -0.915 . . . . 0.0 110.176 179.898 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.45 -45.52 88.4 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.265 -0.897 . . . . 0.0 110.186 179.976 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.54 -49.63 65.83 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.289 -0.882 . . . . 0.0 110.21 179.945 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.421 ' HB2' ' O ' ' A' ' 15' ' ' PHE . 0.6 OUTLIER -53.62 -43.28 68.57 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.224 -0.923 . . . . 0.0 110.157 -179.973 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.407 ' O ' ' CB ' ' A' ' 21' ' ' LYS . . . 80.52 0.14 86.56 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.59 -1.404 . . . . 0.0 109.59 -179.948 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.407 ' CB ' ' O ' ' A' ' 20' ' ' GLY . 0.1 OUTLIER 63.6 55.66 1.69 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.093 -1.24 . . . . 0.0 110.247 -179.953 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.326 0 O-C-N 119.838 -1.789 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_