data_1vd8_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 1vd8 _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 ' 3' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo . . . . . 0 CA--C 1.527 0.167 0 N-CA-C 112.677 0.222 . . . . 0.0 112.677 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -55.22 -43.62 74.68 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.885 0.374 . . . . 0.0 110.856 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -77.4 -33.62 55.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.828 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.7 ttt-85 -83.9 3.62 33.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.574 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.91 -65.07 0.77 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.024 0.44 . . . . 0.0 111.031 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.7 m -47.64 -43.57 26.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.092 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -68.76 -35.34 76.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.778 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.0 tp . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.001 -179.881 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 C--O 1.232 0.189 0 N-CA-C 112.594 0.19 . . . . 0.0 112.594 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -62.29 -55.77 24.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.782 0.325 . . . . 0.0 110.789 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.07 -34.71 78.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.773 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -71.66 -17.56 62.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.339 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.64 -63.75 1.0 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.073 0.463 . . . . 0.0 110.84 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 34.8 m -48.35 -44.43 34.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.986 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.29 -23.57 63.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.949 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.8 tp . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.482 -179.887 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo . . . . . 0 C--O 1.231 0.144 0 CA-C-O 120.735 0.223 . . . . 0.0 112.434 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.63 -49.41 76.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.804 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -64.96 -38.19 90.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.688 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -65.07 -31.36 72.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.875 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.92 -64.78 0.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.95 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.3 m -46.34 -44.77 17.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.104 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.6 ttt85 -64.43 -32.57 74.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.646 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.8 tp . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.115 179.945 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo . . . . . 0 N--CA 1.465 -0.161 0 CA-C-O 120.739 0.224 . . . . 0.0 112.543 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -61.96 -56.07 22.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.913 0.387 . . . . 0.0 110.698 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -69.38 -39.01 78.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.77 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -67.38 -23.77 65.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.05 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.87 -64.53 0.84 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.073 0.463 . . . . 0.0 110.868 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 87.3 m -48.22 -41.81 28.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.915 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.04 -29.02 64.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.801 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.104 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.694 0.206 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -60.16 -53.2 60.57 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.912 0.386 . . . . 0.0 110.83 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -65.32 -41.53 93.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.768 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 -63.84 -18.55 64.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.239 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.4 -64.23 0.9 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.06 0.457 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.2 m -50.74 -38.84 49.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.913 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.58 -26.32 50.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.96 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.152 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo . . . . . 0 C--O 1.231 0.138 0 CA-C-O 120.709 0.212 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.38 -50.8 72.39 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.925 0.393 . . . . 0.0 110.808 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -67.35 -42.23 83.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.762 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.3 ttt-85 -64.26 -18.88 64.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.21 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.7 -64.03 0.94 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.089 0.471 . . . . 0.0 110.902 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.8 m -51.73 -40.78 60.83 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.734 -0.667 . . . . 0.0 111.0 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.1 tpp85 -69.99 -31.23 68.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.7 tt . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 -179.922 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo . . . . . 0 C--O 1.231 0.144 0 N-CA-C 112.695 0.229 . . . . 0.0 112.695 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -59.42 -52.45 65.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.837 0.351 . . . . 0.0 110.715 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -69.6 -40.69 76.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.774 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -64.99 -22.86 67.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.021 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.26 -64.07 0.94 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.118 0.485 . . . . 0.0 110.897 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.8 m -49.0 -37.03 19.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.981 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.8 tpp85 -74.89 -31.63 61.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.008 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.018 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo . . . . . 0 C--O 1.233 0.233 0 CA-C-O 120.739 0.224 . . . . 0.0 112.273 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -58.06 -50.02 74.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.629 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -61.73 -35.32 77.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.429 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.9 ttt180 -65.91 -33.44 75.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.645 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.53 -64.66 0.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.644 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.2 m -50.11 -36.28 29.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.553 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -71.1 -33.1 69.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.48 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.8 tt . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.994 179.887 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo . . . . . 0 CA--C 1.527 0.149 0 N-CA-C 112.681 0.223 . . . . 0.0 112.681 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.55 -40.39 65.53 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.803 0.335 . . . . 0.0 110.977 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -76.32 -40.6 51.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.685 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.77 -23.27 66.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.118 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.77 -64.54 0.84 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.004 0.43 . . . . 0.0 110.911 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.0 m -50.89 -43.92 59.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.037 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -69.3 -23.75 63.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.003 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.8 tp . . . . . 0 C--N 1.331 -0.21 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.147 -179.948 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo . . . . . 0 CA--C 1.528 0.2 0 N-CA-C 112.796 0.268 . . . . 0.0 112.796 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -60.39 -52.88 63.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.854 0.359 . . . . 0.0 110.74 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -65.03 -40.79 95.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.6 ttp180 -63.56 -28.72 70.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.973 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.22 -64.8 0.8 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.013 0.435 . . . . 0.0 110.953 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 22.1 m -48.16 -40.8 25.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.018 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -70.97 -29.98 66.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.815 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.98 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo . . . . . 0 CA--C 1.53 0.291 0 N-CA-C 112.772 0.259 . . . . 0.0 112.772 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -54.89 37.91 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.903 0.383 . . . . 0.0 110.829 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.37 -37.25 86.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.823 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.23 -26.25 66.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.035 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.35 -64.57 0.84 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.829 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.6 m -48.95 -40.85 31.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.956 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.38 -26.9 63.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.783 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.277 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo . . . . . 0 C--O 1.23 0.085 0 CA-C-O 120.826 0.261 . . . . 0.0 112.292 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -53.18 60.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.679 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -61.69 -35.97 79.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.511 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.0 -21.92 66.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.015 179.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.06 -63.96 0.97 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.04 0.448 . . . . 0.0 110.78 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.0 m -53.42 -42.18 66.76 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.822 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 33.7 ttt85 -74.21 -19.3 60.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.143 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.4 tp . . . . . 0 C--N 1.333 -0.14 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.294 -179.923 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo . . . . . 0 C--O 1.231 0.16 0 CA-C-O 120.691 0.204 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -57.49 -48.77 78.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -70.68 -41.84 71.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.779 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.7 ttm105 -66.1 -29.02 69.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.987 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.93 -64.22 0.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.028 0.442 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.1 m -47.67 -38.57 15.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.4 ttt-85 -72.1 -35.73 69.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.776 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.8 tp . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.948 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo . . . . . 0 C--O 1.231 0.154 0 CA-C-O 120.721 0.217 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -60.26 -54.11 49.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.733 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -70.12 -34.8 73.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.721 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -77.25 -5.05 47.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.375 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.87 -63.32 1.14 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.086 0.469 . . . . 0.0 110.79 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.9 m -50.78 -38.94 51.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.101 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -73.11 -36.17 66.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.921 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.5 tt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.119 179.972 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo . . . . . 0 CA--C 1.527 0.174 0 N-CA-C 112.676 0.222 . . . . 0.0 112.676 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -58.46 -51.28 70.5 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.89 0.376 . . . . 0.0 110.728 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -68.66 -41.16 79.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.734 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.7 tpt85 -65.92 -29.3 69.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.964 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.51 -62.54 1.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.988 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.7 m -42.64 -37.41 1.7 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.255 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.1 ttm105 -78.6 -39.1 38.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.636 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.25 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.879 0.371 . . . . 0.0 111.224 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.73 54.29 0.37 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.35 -8.2 22.88 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.535 2.157 . . . . 0.0 112.677 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -55.22 -43.62 74.68 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.885 0.374 . . . . 0.0 110.856 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -77.4 -33.62 55.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.828 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.7 ttt-85 -83.9 3.62 33.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.574 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.91 -65.07 0.77 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.024 0.44 . . . . 0.0 111.031 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.7 m -47.64 -43.57 26.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.092 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -68.76 -35.34 76.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.778 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.0 tp -64.47 -28.49 69.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.001 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -127.65 45.65 2.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.962 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -102.36 33.38 3.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.818 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 15.8 mtp -97.15 -43.74 7.26 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.14 145.51 1.78 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.939 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -67.52 -29.08 68.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.021 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -152.23 84.9 1.26 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.837 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.68 152.25 42.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.179 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.47 137.49 58.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.101 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.0 tttm -60.96 126.25 26.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -176.91 155.51 1.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.958 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.8 tt -85.17 -30.66 23.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.953 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 54.0 p -125.46 -59.6 1.37 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.205 -0.903 . . . . 0.0 110.885 179.931 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 . . . . . 0 N--CA 1.488 1.435 0 CA-C-O 120.803 0.335 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.97 166.73 16.71 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.827 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.41 -10.04 27.81 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.659 2.24 . . . . 0.0 112.594 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -62.29 -55.77 24.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.782 0.325 . . . . 0.0 110.789 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.07 -34.71 78.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.773 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -71.66 -17.56 62.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.339 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.64 -63.75 1.0 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.073 0.463 . . . . 0.0 110.84 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 34.8 m -48.35 -44.43 34.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.986 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.29 -23.57 63.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.949 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.8 tp -66.54 -13.08 60.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.482 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.42 31.3 2.28 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 121.089 0.471 . . . . 0.0 110.959 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.81 47.8 2.03 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.72 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.5 mmt -55.62 153.05 8.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.166 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 52.9 p -60.2 124.98 21.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.0 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.17 -21.01 58.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.027 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -54.53 91.81 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.075 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.73 101.48 0.26 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.265 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.97 153.92 39.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.103 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.26 132.46 52.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 66.9 mmt-85 61.31 114.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.96 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.8 mt 60.94 107.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.815 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.0 p -149.42 85.8 1.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.905 179.978 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.852 0.358 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.422 ' CB ' ' CD ' ' A' ' 3' ' ' PRO . 0.4 OUTLIER -178.77 -61.59 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.422 ' CD ' ' CB ' ' A' ' 2' ' ' SER . 58.6 Cg_endo -71.77 -21.77 24.61 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.523 2.149 . . . . 0.0 112.434 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.63 -49.41 76.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.804 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -64.96 -38.19 90.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.688 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -65.07 -31.36 72.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.875 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.92 -64.78 0.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.95 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.3 m -46.34 -44.77 17.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.104 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.6 ttt85 -64.43 -32.57 74.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.646 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.8 tp -67.15 -26.87 66.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.115 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -116.37 39.68 3.06 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.911 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -125.39 44.97 2.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.922 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -156.9 46.96 0.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.837 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.67 151.07 34.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.84 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -65.52 163.71 15.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 4.2 t80 62.71 39.31 11.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.65 16.44 10.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.496 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.16 172.83 8.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.738 0.304 . . . . 0.0 111.181 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -177.85 101.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.04 30.8 19.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.07 -24.72 27.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 67.8 m -54.79 -49.54 70.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.078 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.1 p . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.908 179.995 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.845 0.355 . . . . 0.0 111.15 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 m -132.33 138.75 32.92 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -76.66 -21.23 13.03 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.553 2.168 . . . . 0.0 112.543 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -61.96 -56.07 22.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.913 0.387 . . . . 0.0 110.698 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -69.38 -39.01 78.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.77 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -67.38 -23.77 65.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.05 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.87 -64.53 0.84 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.073 0.463 . . . . 0.0 110.868 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 87.3 m -48.22 -41.81 28.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.915 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.04 -29.02 64.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.801 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.37 -19.85 62.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.104 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -108.29 36.95 2.62 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 120.981 0.42 . . . . 0.0 110.926 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.75 34.33 2.68 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.689 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 69.33 -64.43 0.34 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.176 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -48.76 120.32 3.73 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.864 0.364 . . . . 0.0 111.149 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -134.67 -42.62 0.76 Allowed 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.198 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 14.8 p90 -49.31 134.5 18.41 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.253 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.61 173.28 1.31 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.123 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.07 141.04 58.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.174 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.3 pptp? -63.4 134.88 56.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.949 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.1 ptt85 -59.93 -174.54 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.945 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 22.2 mt 63.48 109.79 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.9 t -169.85 120.38 0.65 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 69.7 m . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.931 -179.954 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.485 1.306 0 CA-C-O 120.717 0.294 . . . . 0.0 111.229 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.424 ' CB ' ' CD ' ' A' ' 3' ' ' PRO . 0.0 OUTLIER -170.29 -63.14 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.936 179.91 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.424 ' CD ' ' CB ' ' A' ' 2' ' ' SER . 38.1 Cg_endo -66.07 -14.97 46.85 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.457 2.104 . . . . 0.0 112.475 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -60.16 -53.2 60.57 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.912 0.386 . . . . 0.0 110.83 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -65.32 -41.53 93.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.768 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 -63.84 -18.55 64.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.239 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.4 -64.23 0.9 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.06 0.457 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.2 m -50.74 -38.84 49.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.913 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.58 -26.32 50.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.96 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.53 -30.21 53.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.152 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.5 tptp -120.35 40.34 3.5 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.078 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.7 tpp180 -134.94 37.72 3.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.991 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.4 mmm 57.87 106.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.988 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.8 t -60.62 174.32 0.6 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -59.88 -79.21 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.958 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -91.91 171.29 9.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.06 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.46 138.3 58.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.146 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.62 175.51 1.83 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.131 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.6 mttm -64.83 140.96 58.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.94 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.09 107.16 1.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 mt -153.62 -50.34 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.813 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 60.1 p -76.99 135.24 38.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.281 -0.866 . . . . 0.0 110.905 -179.974 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.775 0.322 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.419 ' CB ' ' CD ' ' A' ' 3' ' ' PRO . 0.4 OUTLIER -178.83 -61.71 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 -179.916 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.419 ' CD ' ' CB ' ' A' ' 2' ' ' SER . 41.9 Cg_endo -67.66 -14.03 40.66 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.516 2.144 . . . . 0.0 112.493 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.38 -50.8 72.39 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.925 0.393 . . . . 0.0 110.808 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -67.35 -42.23 83.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.762 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.3 ttt-85 -64.26 -18.88 64.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.21 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.7 -64.03 0.94 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.089 0.471 . . . . 0.0 110.902 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.8 m -51.73 -40.78 60.83 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.734 -0.667 . . . . 0.0 111.0 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.1 tpp85 -69.99 -31.23 68.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.7 tt -58.57 -32.23 68.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 mtmm -107.13 35.58 2.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.02 0.438 . . . . 0.0 110.807 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.1 34.83 3.15 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.943 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.18 138.5 45.71 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.824 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 36.1 t -176.51 133.11 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.99 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -135.24 132.68 38.13 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -174.6 96.99 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.95 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.12 86.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.088 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.86 -51.04 71.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.207 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.0 mttt 62.59 120.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.38 31.95 2.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 60.28 -177.42 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.802 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.37 35.97 1.69 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.9 t . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.911 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.899 0.381 . . . . 0.0 111.148 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -140.27 93.62 8.95 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.826 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -66.98 -13.59 40.51 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.43 2.086 . . . . 0.0 112.695 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -59.42 -52.45 65.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.837 0.351 . . . . 0.0 110.715 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -69.6 -40.69 76.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.774 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -64.99 -22.86 67.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.021 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.26 -64.07 0.94 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.118 0.485 . . . . 0.0 110.897 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.8 m -49.0 -37.03 19.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.981 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.8 tpp85 -74.89 -31.63 61.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.008 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.31 -29.85 69.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.02 34.61 2.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.048 0.452 . . . . 0.0 110.787 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -127.66 39.22 3.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.901 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 60.33 30.07 19.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.978 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.02 82.15 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.969 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -85.26 134.25 34.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.061 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 58.18 40.56 24.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.118 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.87 155.3 34.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.171 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.74 -78.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.968 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -64.02 137.89 58.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.665 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -177.52 162.02 1.79 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.2 mp 60.92 156.46 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.947 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 44.7 p -176.72 161.14 2.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.1 t . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.825 179.972 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.827 0.346 . . . . 0.0 111.192 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.01 165.91 4.29 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -66.89 -27.25 43.65 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.548 2.165 . . . . 0.0 112.273 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -58.06 -50.02 74.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.629 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -61.73 -35.32 77.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.429 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.9 ttt180 -65.91 -33.44 75.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.645 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.53 -64.66 0.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.644 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.2 m -50.11 -36.28 29.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.553 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -71.1 -33.1 69.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.48 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.8 tt -62.81 -29.3 70.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.994 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -117.8 40.21 3.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -113.47 38.41 2.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 32.7 mtm -125.79 119.55 28.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.992 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.95 80.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -63.34 82.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.021 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 62.4 t80 58.84 84.58 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.005 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.41 137.51 56.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.06 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.81 81.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.099 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.17 151.48 43.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.965 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -177.11 -53.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.5 mt -95.24 70.9 3.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.769 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.0 p -167.8 33.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.4 p . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.185 -0.912 . . . . 0.0 110.922 -179.976 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.861 0.362 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m -176.29 163.3 1.82 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.51 -6.54 19.25 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.681 2.254 . . . . 0.0 112.681 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.55 -40.39 65.53 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.803 0.335 . . . . 0.0 110.977 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -76.32 -40.6 51.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.685 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.77 -23.27 66.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.118 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.77 -64.54 0.84 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.004 0.43 . . . . 0.0 110.911 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.0 m -50.89 -43.92 59.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.037 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -69.3 -23.75 63.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.003 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.8 tp -54.53 -37.12 65.02 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.147 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.49 36.4 4.41 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.996 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -139.06 37.53 2.13 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.882 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.9 mmt -81.91 -28.1 33.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.051 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.26 132.68 4.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -69.83 65.93 0.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.016 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -68.98 78.62 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.93 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.16 61.28 1.57 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.143 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.44 -75.6 0.28 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.077 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.5 ttpt 61.96 116.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.947 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.3 mtt-85 -174.93 -77.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.2 tp -178.55 165.12 1.7 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.2 t -89.69 -59.78 2.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.904 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 N--CA 1.488 1.425 0 CA-C-O 120.903 0.383 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.417 ' CB ' ' CD ' ' A' ' 3' ' ' PRO . 0.5 OUTLIER -86.47 -62.46 0.24 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.273 -179.871 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.417 ' CD ' ' CB ' ' A' ' 2' ' ' SER . 72.1 Cg_endo -76.79 -3.07 13.35 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.492 2.128 . . . . 0.0 112.796 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -60.39 -52.88 63.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.854 0.359 . . . . 0.0 110.74 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -65.03 -40.79 95.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.6 ttp180 -63.56 -28.72 70.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.973 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.22 -64.8 0.8 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.013 0.435 . . . . 0.0 110.953 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 22.1 m -48.16 -40.8 25.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.018 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -70.97 -29.98 66.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.815 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.76 -29.21 66.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.98 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.1 ttpp -119.84 41.35 3.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.886 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.3 ttt85 -131.36 40.59 3.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 60.57 108.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.1 t -176.85 144.85 0.48 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.969 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -134.29 102.63 5.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -70.49 64.58 0.28 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.052 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.01 85.94 4.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.156 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.58 -81.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.168 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.3 ttmt 178.96 149.47 0.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.889 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? 58.63 -177.74 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -125.68 172.84 9.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 90.1 p -120.22 -45.21 2.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.0 m . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.95 -179.995 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.81 0.338 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.37 165.36 50.64 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -78.32 0.98 9.42 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.687 2.258 . . . . 0.0 112.772 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -54.89 37.91 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.903 0.383 . . . . 0.0 110.829 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.37 -37.25 86.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.823 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.23 -26.25 66.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.035 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.35 -64.57 0.84 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.829 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.6 m -48.95 -40.85 31.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.956 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.38 -26.9 63.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.783 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.53 -16.21 60.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.277 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.89 32.89 2.48 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-O 121.076 0.465 . . . . 0.0 110.769 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -130.76 38.32 3.72 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.797 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -173.24 -76.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.771 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.1 119.44 18.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.835 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -69.95 65.85 0.25 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.934 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 21.6 t80 57.33 36.38 27.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.987 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.67 -80.0 0.12 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.03 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.65 130.93 40.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.052 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -178.16 172.35 1.59 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.6 mtt85 -172.18 104.02 0.17 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.5 tp 60.61 101.35 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.969 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -84.39 174.88 9.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.82 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.8 t . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.901 -179.968 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.85 0.357 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.38 98.35 5.47 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.963 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -67.3 -33.76 29.32 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.417 2.078 . . . . 0.0 112.292 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -53.18 60.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.679 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -61.69 -35.97 79.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.511 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.0 -21.92 66.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.015 179.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.06 -63.96 0.97 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.04 0.448 . . . . 0.0 110.78 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.0 m -53.42 -42.18 66.76 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.822 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 33.7 ttt85 -74.21 -19.3 60.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.143 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.4 tp -50.14 -26.48 4.57 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.294 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -106.65 35.49 2.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.986 0.422 . . . . 0.0 110.888 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -134.71 38.82 3.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.966 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -107.88 58.26 0.62 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.029 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.73 75.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -79.51 59.39 2.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.027 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 54.9 t80 57.05 67.56 0.97 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.938 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.54 121.22 13.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.166 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.74 153.2 29.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.23 175.09 1.55 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.8 ptt180 -176.73 61.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 60.16 169.8 0.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.1 m 61.38 154.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 . . . . . 0 N--CA 1.488 1.427 0 CA-C-O 120.893 0.378 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.8 m -133.05 145.95 59.15 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.961 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -73.42 -22.76 18.21 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.556 2.17 . . . . 0.0 112.457 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -57.49 -48.77 78.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -70.68 -41.84 71.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.779 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.7 ttm105 -66.1 -29.02 69.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.987 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.93 -64.22 0.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.028 0.442 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.1 m -47.67 -38.57 15.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.4 ttt-85 -72.1 -35.73 69.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.776 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.8 tp -61.37 -33.56 73.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.05 34.32 3.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.041 0.448 . . . . 0.0 110.831 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -108.72 35.8 3.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.837 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.69 -168.25 0.83 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.9 t -96.09 38.06 1.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.58 -79.41 0.15 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 23.4 p90 -72.5 134.99 45.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.91 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.01 78.92 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.174 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.67 75.79 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.1 mptt -61.69 156.27 20.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.7 mtp180 -60.41 149.81 32.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 63.86 129.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.816 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.3 t 60.52 165.92 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.942 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.918 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.847 0.356 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.409 ' CB ' ' CD ' ' A' ' 3' ' ' PRO . 1.1 m -179.28 -61.48 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.409 ' CD ' ' CB ' ' A' ' 2' ' ' SER . 49.9 Cg_endo -68.98 -22.1 36.17 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.452 2.102 . . . . 0.0 112.534 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -60.26 -54.11 49.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.733 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -70.12 -34.8 73.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.721 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -77.25 -5.05 47.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.375 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.87 -63.32 1.14 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.086 0.469 . . . . 0.0 110.79 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.9 m -50.78 -38.94 51.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.101 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -73.11 -36.17 66.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.921 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.5 tt -58.89 -22.27 59.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.119 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.6 tptm -126.7 45.56 2.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.873 0.368 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.54 33.42 2.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.699 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.5 ttp 66.9 -73.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.924 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.27 163.83 2.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.898 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.77 -175.52 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -58.33 152.12 18.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.43 3.76 30.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.821 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.85 49.74 1.86 Allowed 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 120.792 0.33 . . . . 0.0 111.43 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.1 tttp -177.7 136.59 0.19 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.956 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -61.67 151.84 32.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.8 mt -94.28 69.78 3.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.921 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 44.0 t -177.13 85.04 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.0 t . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.213 -0.899 . . . . 0.0 110.836 -179.959 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.79 0.329 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -131.85 145.53 57.89 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -75.86 -3.49 13.93 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.576 2.184 . . . . 0.0 112.676 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -58.46 -51.28 70.5 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.89 0.376 . . . . 0.0 110.728 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -68.66 -41.16 79.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.734 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.7 tpt85 -65.92 -29.3 69.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.964 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.51 -62.54 1.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.988 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.7 m -42.64 -37.41 1.7 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.255 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.1 ttm105 -78.6 -39.1 38.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.636 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.88 -17.55 62.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.25 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.74 52.75 1.93 Allowed 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 120.965 0.412 . . . . 0.0 110.738 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.7 ttt85 -96.7 31.91 2.2 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.8 mtt 61.82 119.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.156 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.9 t 56.28 76.94 0.27 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.137 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.93 62.5 0.2 Allowed 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.238 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -178.58 39.42 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.794 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.64 -175.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.188 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.06 157.76 7.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.148 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -174.99 63.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.938 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.9 mtm180 -60.52 128.82 38.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -160.29 -45.37 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.7 p -65.51 159.36 24.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.0 t . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.917 179.929 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo . . . . . 0 CA--C 1.527 0.167 0 N-CA-C 112.677 0.222 . . . . 0.0 112.677 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -55.22 -43.62 74.68 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.885 0.374 . . . . 0.0 110.856 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -77.4 -33.62 55.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.828 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.7 ttt-85 -83.9 3.62 33.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.574 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.91 -65.07 0.77 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.024 0.44 . . . . 0.0 111.031 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.7 m -47.64 -43.57 26.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.092 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -68.76 -35.34 76.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.778 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.0 tp . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.001 -179.881 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 C--O 1.232 0.189 0 N-CA-C 112.594 0.19 . . . . 0.0 112.594 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -62.29 -55.77 24.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.782 0.325 . . . . 0.0 110.789 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.07 -34.71 78.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.773 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -71.66 -17.56 62.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.339 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.64 -63.75 1.0 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.073 0.463 . . . . 0.0 110.84 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 34.8 m -48.35 -44.43 34.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.986 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.29 -23.57 63.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.949 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.8 tp . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.482 -179.887 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo . . . . . 0 C--O 1.231 0.144 0 CA-C-O 120.735 0.223 . . . . 0.0 112.434 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.63 -49.41 76.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.804 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -64.96 -38.19 90.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.688 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -65.07 -31.36 72.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.875 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.92 -64.78 0.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.95 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.3 m -46.34 -44.77 17.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.104 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.6 ttt85 -64.43 -32.57 74.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.646 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.8 tp . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.115 179.945 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo . . . . . 0 N--CA 1.465 -0.161 0 CA-C-O 120.739 0.224 . . . . 0.0 112.543 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -61.96 -56.07 22.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.913 0.387 . . . . 0.0 110.698 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -69.38 -39.01 78.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.77 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -67.38 -23.77 65.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.05 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.87 -64.53 0.84 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.073 0.463 . . . . 0.0 110.868 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 87.3 m -48.22 -41.81 28.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.915 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.04 -29.02 64.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.801 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.404 HD22 ' HA ' ' A' ' 10' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.104 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.694 0.206 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -60.16 -53.2 60.57 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.912 0.386 . . . . 0.0 110.83 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -65.32 -41.53 93.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.768 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.506 ' O ' HD23 ' A' ' 10' ' ' LEU . 3.5 tpt180 -63.84 -18.55 64.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.239 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.4 -64.23 0.9 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.06 0.457 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.2 m -50.74 -38.84 49.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.913 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.58 -26.32 50.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.96 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.506 HD23 ' O ' ' A' ' 6' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.152 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo . . . . . 0 C--O 1.231 0.138 0 CA-C-O 120.709 0.212 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.38 -50.8 72.39 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.925 0.393 . . . . 0.0 110.808 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -67.35 -42.23 83.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.762 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.3 ttt-85 -64.26 -18.88 64.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.21 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.7 -64.03 0.94 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.089 0.471 . . . . 0.0 110.902 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.8 m -51.73 -40.78 60.83 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.734 -0.667 . . . . 0.0 111.0 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.1 tpp85 -69.99 -31.23 68.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.7 tt . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 -179.922 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo . . . . . 0 C--O 1.231 0.144 0 N-CA-C 112.695 0.229 . . . . 0.0 112.695 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -59.42 -52.45 65.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.837 0.351 . . . . 0.0 110.715 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -69.6 -40.69 76.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.774 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -64.99 -22.86 67.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.021 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.26 -64.07 0.94 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.118 0.485 . . . . 0.0 110.897 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.8 m -49.0 -37.03 19.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.981 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.8 tpp85 -74.89 -31.63 61.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.008 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.018 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo . . . . . 0 C--O 1.233 0.233 0 CA-C-O 120.739 0.224 . . . . 0.0 112.273 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -58.06 -50.02 74.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.629 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -61.73 -35.32 77.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.429 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.9 ttt180 -65.91 -33.44 75.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.645 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.53 -64.66 0.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.644 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.2 m -50.11 -36.28 29.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.553 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -71.1 -33.1 69.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.48 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.581 HD23 ' O ' ' A' ' 10' ' ' LEU . 1.8 tt . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.994 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo . . . . . 0 CA--C 1.527 0.149 0 N-CA-C 112.681 0.223 . . . . 0.0 112.681 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.55 -40.39 65.53 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.803 0.335 . . . . 0.0 110.977 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -76.32 -40.6 51.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.685 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.77 -23.27 66.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.118 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.77 -64.54 0.84 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.004 0.43 . . . . 0.0 110.911 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.0 m -50.89 -43.92 59.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.037 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -69.3 -23.75 63.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.003 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.8 tp . . . . . 0 C--N 1.331 -0.21 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.147 -179.948 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo . . . . . 0 CA--C 1.528 0.2 0 N-CA-C 112.796 0.268 . . . . 0.0 112.796 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -60.39 -52.88 63.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.854 0.359 . . . . 0.0 110.74 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -65.03 -40.79 95.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.6 ttp180 -63.56 -28.72 70.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.973 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.22 -64.8 0.8 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.013 0.435 . . . . 0.0 110.953 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 22.1 m -48.16 -40.8 25.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.018 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -70.97 -29.98 66.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.815 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.98 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo . . . . . 0 CA--C 1.53 0.291 0 N-CA-C 112.772 0.259 . . . . 0.0 112.772 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -54.89 37.91 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.903 0.383 . . . . 0.0 110.829 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.37 -37.25 86.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.823 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.23 -26.25 66.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.035 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.35 -64.57 0.84 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.829 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.6 m -48.95 -40.85 31.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.956 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.38 -26.9 63.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.783 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.277 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo . . . . . 0 C--O 1.23 0.085 0 CA-C-O 120.826 0.261 . . . . 0.0 112.292 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -53.18 60.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.679 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -61.69 -35.97 79.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.511 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.0 -21.92 66.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.015 179.769 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.06 -63.96 0.97 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.04 0.448 . . . . 0.0 110.78 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.0 m -53.42 -42.18 66.76 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.822 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 33.7 ttt85 -74.21 -19.3 60.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.143 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.4 tp . . . . . 0 C--N 1.333 -0.14 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.294 -179.923 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo . . . . . 0 C--O 1.231 0.16 0 CA-C-O 120.691 0.204 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -57.49 -48.77 78.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -70.68 -41.84 71.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.779 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.401 ' NH1' ' HB3' ' A' ' 6' ' ' ARG . 1.7 ttm105 -66.1 -29.02 69.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.987 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.93 -64.22 0.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.028 0.442 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.1 m -47.67 -38.57 15.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.4 ttt-85 -72.1 -35.73 69.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.776 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.8 tp . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.948 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo . . . . . 0 C--O 1.231 0.154 0 CA-C-O 120.721 0.217 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -60.26 -54.11 49.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.733 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -70.12 -34.8 73.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.721 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -77.25 -5.05 47.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.375 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.87 -63.32 1.14 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.086 0.469 . . . . 0.0 110.79 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.9 m -50.78 -38.94 51.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.101 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -73.11 -36.17 66.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.921 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.49 HD23 ' O ' ' A' ' 10' ' ' LEU . 9.5 tt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.119 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo . . . . . 0 CA--C 1.527 0.174 0 N-CA-C 112.676 0.222 . . . . 0.0 112.676 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -58.46 -51.28 70.5 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.89 0.376 . . . . 0.0 110.728 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -68.66 -41.16 79.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.734 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.7 tpt85 -65.92 -29.3 69.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.964 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.51 -62.54 1.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.988 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.7 m -42.64 -37.41 1.7 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.255 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.1 ttm105 -78.6 -39.1 38.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.636 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.25 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.879 0.371 . . . . 0.0 111.224 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.73 54.29 0.37 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.35 -8.2 22.88 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.535 2.157 . . . . 0.0 112.677 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -55.22 -43.62 74.68 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.885 0.374 . . . . 0.0 110.856 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -77.4 -33.62 55.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.828 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.7 ttt-85 -83.9 3.62 33.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.574 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.91 -65.07 0.77 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.024 0.44 . . . . 0.0 111.031 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.7 m -47.64 -43.57 26.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.092 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -68.76 -35.34 76.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.778 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.0 tp -64.47 -28.49 69.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.001 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -127.65 45.65 2.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.962 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -102.36 33.38 3.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.818 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 15.8 mtp -97.15 -43.74 7.26 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.14 145.51 1.78 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.939 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -67.52 -29.08 68.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.021 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -152.23 84.9 1.26 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.837 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.68 152.25 42.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.179 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.47 137.49 58.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.101 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.0 tttm -60.96 126.25 26.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -176.91 155.51 1.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.958 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.8 tt -85.17 -30.66 23.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.953 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 54.0 p -125.46 -59.6 1.37 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.205 -0.903 . . . . 0.0 110.885 179.931 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 . . . . . 0 N--CA 1.488 1.435 0 CA-C-O 120.803 0.335 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.97 166.73 16.71 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.827 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.41 -10.04 27.81 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.659 2.24 . . . . 0.0 112.594 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -62.29 -55.77 24.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.782 0.325 . . . . 0.0 110.789 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -34.71 78.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.773 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -71.66 -17.56 62.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.339 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.64 -63.75 1.0 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.073 0.463 . . . . 0.0 110.84 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 34.8 m -48.35 -44.43 34.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.986 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.29 -23.57 63.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.949 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.8 tp -66.54 -13.08 60.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.482 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.42 31.3 2.28 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 121.089 0.471 . . . . 0.0 110.959 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.81 47.8 2.03 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.72 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.5 mmt -55.62 153.05 8.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.166 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 52.9 p -60.2 124.98 21.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.0 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.17 -21.01 58.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.027 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -54.53 91.81 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.075 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.73 101.48 0.26 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.265 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.97 153.92 39.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.103 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.26 132.46 52.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 66.9 mmt-85 61.31 114.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.96 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.8 mt 60.94 107.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.815 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.0 p -149.42 85.8 1.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.905 179.978 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.852 0.358 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.422 ' CB ' ' CD ' ' A' ' 3' ' ' PRO . 0.4 OUTLIER -178.77 -61.59 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.422 ' CD ' ' CB ' ' A' ' 2' ' ' SER . 58.6 Cg_endo -71.77 -21.77 24.61 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.523 2.149 . . . . 0.0 112.434 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.63 -49.41 76.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.804 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -64.96 -38.19 90.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.688 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -65.07 -31.36 72.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.875 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.92 -64.78 0.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.95 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.3 m -46.34 -44.77 17.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.104 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.6 ttt85 -64.43 -32.57 74.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.646 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.8 tp -67.15 -26.87 66.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.115 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -116.37 39.68 3.06 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.911 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -125.39 44.97 2.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.922 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -156.9 46.96 0.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.837 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.67 151.07 34.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.84 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -65.52 163.71 15.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 4.2 t80 62.71 39.31 11.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.65 16.44 10.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.496 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.16 172.83 8.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.738 0.304 . . . . 0.0 111.181 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -177.85 101.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.04 30.8 19.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.07 -24.72 27.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 67.8 m -54.79 -49.54 70.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.078 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.1 p . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.908 179.995 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.845 0.355 . . . . 0.0 111.15 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 m -132.33 138.75 32.92 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -76.66 -21.23 13.03 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.553 2.168 . . . . 0.0 112.543 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -61.96 -56.07 22.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.913 0.387 . . . . 0.0 110.698 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -69.38 -39.01 78.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.77 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -67.38 -23.77 65.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.05 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.87 -64.53 0.84 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.073 0.463 . . . . 0.0 110.868 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 87.3 m -48.22 -41.81 28.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.915 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.04 -29.02 64.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.801 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.404 HD22 ' HA ' ' A' ' 10' ' ' LEU . 0.2 OUTLIER -61.37 -19.85 62.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.104 179.925 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -108.29 36.95 2.62 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 120.981 0.42 . . . . 0.0 110.926 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.75 34.33 2.68 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.689 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 69.33 -64.43 0.34 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.176 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -48.76 120.32 3.73 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.864 0.364 . . . . 0.0 111.149 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -134.67 -42.62 0.76 Allowed 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.198 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 14.8 p90 -49.31 134.5 18.41 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.253 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.61 173.28 1.31 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.123 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.07 141.04 58.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.174 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.3 pptp? -63.4 134.88 56.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.949 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.1 ptt85 -59.93 -174.54 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.945 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 22.2 mt 63.48 109.79 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.9 t -169.85 120.38 0.65 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 69.7 m . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.931 -179.954 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.485 1.306 0 CA-C-O 120.717 0.294 . . . . 0.0 111.229 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.424 ' CB ' ' CD ' ' A' ' 3' ' ' PRO . 0.0 OUTLIER -170.29 -63.14 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.936 179.91 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.424 ' CD ' ' CB ' ' A' ' 2' ' ' SER . 38.1 Cg_endo -66.07 -14.97 46.85 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.457 2.104 . . . . 0.0 112.475 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -60.16 -53.2 60.57 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.912 0.386 . . . . 0.0 110.83 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -65.32 -41.53 93.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.768 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.506 ' O ' HD23 ' A' ' 10' ' ' LEU . 3.5 tpt180 -63.84 -18.55 64.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.239 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.4 -64.23 0.9 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.06 0.457 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.2 m -50.74 -38.84 49.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.913 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.58 -26.32 50.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.96 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.506 HD23 ' O ' ' A' ' 6' ' ' ARG . 0.2 OUTLIER -54.53 -30.21 53.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.152 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.5 tptp -120.35 40.34 3.5 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.078 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.7 tpp180 -134.94 37.72 3.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.991 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.4 mmm 57.87 106.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.988 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.8 t -60.62 174.32 0.6 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -59.88 -79.21 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.958 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -91.91 171.29 9.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.06 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.46 138.3 58.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.146 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.62 175.51 1.83 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.131 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.6 mttm -64.83 140.96 58.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.94 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.09 107.16 1.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 mt -153.62 -50.34 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.813 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 60.1 p -76.99 135.24 38.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.281 -0.866 . . . . 0.0 110.905 -179.974 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.775 0.322 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.419 ' CB ' ' CD ' ' A' ' 3' ' ' PRO . 0.4 OUTLIER -178.83 -61.71 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 -179.916 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.419 ' CD ' ' CB ' ' A' ' 2' ' ' SER . 41.9 Cg_endo -67.66 -14.03 40.66 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.516 2.144 . . . . 0.0 112.493 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.38 -50.8 72.39 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.925 0.393 . . . . 0.0 110.808 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -67.35 -42.23 83.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.762 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.3 ttt-85 -64.26 -18.88 64.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.21 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.7 -64.03 0.94 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.089 0.471 . . . . 0.0 110.902 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.8 m -51.73 -40.78 60.83 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.734 -0.667 . . . . 0.0 111.0 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.1 tpp85 -69.99 -31.23 68.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.7 tt -58.57 -32.23 68.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 mtmm -107.13 35.58 2.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.02 0.438 . . . . 0.0 110.807 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.1 34.83 3.15 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.943 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.18 138.5 45.71 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.824 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 36.1 t -176.51 133.11 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.99 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -135.24 132.68 38.13 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -174.6 96.99 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.95 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.12 86.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.088 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.86 -51.04 71.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.207 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.0 mttt 62.59 120.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.38 31.95 2.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 60.28 -177.42 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.802 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.37 35.97 1.69 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.9 t . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.911 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.899 0.381 . . . . 0.0 111.148 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -140.27 93.62 8.95 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.826 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -66.98 -13.59 40.51 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.43 2.086 . . . . 0.0 112.695 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -59.42 -52.45 65.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.837 0.351 . . . . 0.0 110.715 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -69.6 -40.69 76.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.774 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -64.99 -22.86 67.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.021 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.26 -64.07 0.94 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.118 0.485 . . . . 0.0 110.897 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.8 m -49.0 -37.03 19.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.981 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.8 tpp85 -74.89 -31.63 61.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.008 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.31 -29.85 69.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.02 34.61 2.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.048 0.452 . . . . 0.0 110.787 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -127.66 39.22 3.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.901 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 60.33 30.07 19.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.978 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.02 82.15 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.969 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -85.26 134.25 34.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.061 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 58.18 40.56 24.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.118 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.87 155.3 34.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.171 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.74 -78.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.968 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -64.02 137.89 58.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.665 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -177.52 162.02 1.79 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.2 mp 60.92 156.46 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.947 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 44.7 p -176.72 161.14 2.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.1 t . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.825 179.972 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.827 0.346 . . . . 0.0 111.192 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.01 165.91 4.29 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -66.89 -27.25 43.65 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.548 2.165 . . . . 0.0 112.273 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -58.06 -50.02 74.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.629 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -61.73 -35.32 77.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.429 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.9 ttt180 -65.91 -33.44 75.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.645 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.53 -64.66 0.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.644 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.2 m -50.11 -36.28 29.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.553 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -71.1 -33.1 69.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.48 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.581 HD23 ' O ' ' A' ' 10' ' ' LEU . 1.8 tt -62.81 -29.3 70.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.994 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -117.8 40.21 3.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -113.47 38.41 2.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 32.7 mtm -125.79 119.55 28.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.992 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.95 80.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -63.34 82.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.021 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 62.4 t80 58.84 84.58 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.005 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.41 137.51 56.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.06 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.81 81.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.099 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.17 151.48 43.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.965 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -177.11 -53.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.5 mt -95.24 70.9 3.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.769 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.0 p -167.8 33.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.4 p . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.185 -0.912 . . . . 0.0 110.922 -179.976 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.861 0.362 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m -176.29 163.3 1.82 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.51 -6.54 19.25 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.681 2.254 . . . . 0.0 112.681 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.55 -40.39 65.53 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.803 0.335 . . . . 0.0 110.977 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -76.32 -40.6 51.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.685 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.77 -23.27 66.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.118 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.77 -64.54 0.84 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.004 0.43 . . . . 0.0 110.911 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.0 m -50.89 -43.92 59.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.037 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -69.3 -23.75 63.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.003 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.8 tp -54.53 -37.12 65.02 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.147 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.49 36.4 4.41 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.996 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -139.06 37.53 2.13 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.882 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.9 mmt -81.91 -28.1 33.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.051 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.26 132.68 4.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -69.83 65.93 0.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.016 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -68.98 78.62 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.93 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.16 61.28 1.57 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.143 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.44 -75.6 0.28 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.077 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.5 ttpt 61.96 116.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.947 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.3 mtt-85 -174.93 -77.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.451 ' HA ' HD12 ' A' ' 21' ' ' LEU . 9.2 tp -178.55 165.12 1.7 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.2 t -89.69 -59.78 2.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.904 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 N--CA 1.488 1.425 0 CA-C-O 120.903 0.383 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.417 ' CB ' ' CD ' ' A' ' 3' ' ' PRO . 0.5 OUTLIER -86.47 -62.46 0.24 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.273 -179.871 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.417 ' CD ' ' CB ' ' A' ' 2' ' ' SER . 72.1 Cg_endo -76.79 -3.07 13.35 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.492 2.128 . . . . 0.0 112.796 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -60.39 -52.88 63.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.854 0.359 . . . . 0.0 110.74 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -65.03 -40.79 95.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.6 ttp180 -63.56 -28.72 70.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.973 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.22 -64.8 0.8 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.013 0.435 . . . . 0.0 110.953 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 22.1 m -48.16 -40.8 25.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.018 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -70.97 -29.98 66.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.815 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.76 -29.21 66.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.98 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.1 ttpp -119.84 41.35 3.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.886 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.3 ttt85 -131.36 40.59 3.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 60.57 108.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.1 t -176.85 144.85 0.48 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.969 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -134.29 102.63 5.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -70.49 64.58 0.28 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.052 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.01 85.94 4.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.156 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.58 -81.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.168 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.3 ttmt 178.96 149.47 0.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.889 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? 58.63 -177.74 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -125.68 172.84 9.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 90.1 p -120.22 -45.21 2.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.0 m . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.95 -179.995 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.81 0.338 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.37 165.36 50.64 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -78.32 0.98 9.42 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.687 2.258 . . . . 0.0 112.772 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -54.89 37.91 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.903 0.383 . . . . 0.0 110.829 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.37 -37.25 86.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.823 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.23 -26.25 66.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.035 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.35 -64.57 0.84 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.829 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.6 m -48.95 -40.85 31.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.956 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.38 -26.9 63.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.783 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.53 -16.21 60.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.277 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.89 32.89 2.48 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-O 121.076 0.465 . . . . 0.0 110.769 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -130.76 38.32 3.72 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.797 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -173.24 -76.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.771 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.1 119.44 18.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.835 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -69.95 65.85 0.25 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.934 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 21.6 t80 57.33 36.38 27.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.987 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.67 -80.0 0.12 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.03 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.65 130.93 40.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.052 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -178.16 172.35 1.59 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.6 mtt85 -172.18 104.02 0.17 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.5 tp 60.61 101.35 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.969 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -84.39 174.88 9.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.82 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.8 t . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.901 -179.968 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.85 0.357 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.38 98.35 5.47 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.963 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -67.3 -33.76 29.32 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.417 2.078 . . . . 0.0 112.292 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -53.18 60.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.679 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -61.69 -35.97 79.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.511 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.0 -21.92 66.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.015 179.769 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.06 -63.96 0.97 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.04 0.448 . . . . 0.0 110.78 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.0 m -53.42 -42.18 66.76 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.822 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 33.7 ttt85 -74.21 -19.3 60.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.143 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.4 tp -50.14 -26.48 4.57 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.294 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -106.65 35.49 2.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.986 0.422 . . . . 0.0 110.888 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -134.71 38.82 3.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.966 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -107.88 58.26 0.62 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.029 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.73 75.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -79.51 59.39 2.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.027 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 54.9 t80 57.05 67.56 0.97 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.938 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.54 121.22 13.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.166 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.74 153.2 29.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.23 175.09 1.55 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.8 ptt180 -176.73 61.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 60.16 169.8 0.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.1 m 61.38 154.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 . . . . . 0 N--CA 1.488 1.427 0 CA-C-O 120.893 0.378 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.8 m -133.05 145.95 59.15 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.961 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -73.42 -22.76 18.21 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.556 2.17 . . . . 0.0 112.457 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -57.49 -48.77 78.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -70.68 -41.84 71.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.779 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.401 ' NH1' ' HB3' ' A' ' 6' ' ' ARG . 1.7 ttm105 -66.1 -29.02 69.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.987 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.93 -64.22 0.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.028 0.442 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.1 m -47.67 -38.57 15.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.4 ttt-85 -72.1 -35.73 69.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.776 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.8 tp -61.37 -33.56 73.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.05 34.32 3.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.041 0.448 . . . . 0.0 110.831 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -108.72 35.8 3.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.837 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.69 -168.25 0.83 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.9 t -96.09 38.06 1.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.58 -79.41 0.15 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 23.4 p90 -72.5 134.99 45.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.91 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.01 78.92 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.174 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.67 75.79 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.1 mptt -61.69 156.27 20.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.7 mtp180 -60.41 149.81 32.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 63.86 129.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.816 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.3 t 60.52 165.92 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.942 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.918 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.847 0.356 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.409 ' CB ' ' CD ' ' A' ' 3' ' ' PRO . 1.1 m -179.28 -61.48 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.409 ' CD ' ' CB ' ' A' ' 2' ' ' SER . 49.9 Cg_endo -68.98 -22.1 36.17 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.452 2.102 . . . . 0.0 112.534 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -60.26 -54.11 49.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.733 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -70.12 -34.8 73.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.721 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -77.25 -5.05 47.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.375 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.87 -63.32 1.14 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.086 0.469 . . . . 0.0 110.79 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.9 m -50.78 -38.94 51.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.101 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -73.11 -36.17 66.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.921 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.49 HD23 ' O ' ' A' ' 10' ' ' LEU . 9.5 tt -58.89 -22.27 59.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.119 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.6 tptm -126.7 45.56 2.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.873 0.368 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.54 33.42 2.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.699 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.5 ttp 66.9 -73.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.924 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.27 163.83 2.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.898 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.77 -175.52 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -58.33 152.12 18.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.43 3.76 30.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.821 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.85 49.74 1.86 Allowed 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 120.792 0.33 . . . . 0.0 111.43 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.1 tttp -177.7 136.59 0.19 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.956 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -61.67 151.84 32.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.8 mt -94.28 69.78 3.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.921 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 44.0 t -177.13 85.04 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.0 t . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.213 -0.899 . . . . 0.0 110.836 -179.959 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.79 0.329 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -131.85 145.53 57.89 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -75.86 -3.49 13.93 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.576 2.184 . . . . 0.0 112.676 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -58.46 -51.28 70.5 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.89 0.376 . . . . 0.0 110.728 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -68.66 -41.16 79.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.734 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.7 tpt85 -65.92 -29.3 69.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.964 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.51 -62.54 1.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.988 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.7 m -42.64 -37.41 1.7 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.255 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.1 ttm105 -78.6 -39.1 38.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.636 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.88 -17.55 62.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.25 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.74 52.75 1.93 Allowed 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 120.965 0.412 . . . . 0.0 110.738 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.7 ttt85 -96.7 31.91 2.2 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.8 mtt 61.82 119.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.156 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.9 t 56.28 76.94 0.27 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.137 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.93 62.5 0.2 Allowed 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.238 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -178.58 39.42 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.794 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.64 -175.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.188 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.06 157.76 7.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.148 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -174.99 63.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.938 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.9 mtm180 -60.52 128.82 38.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -160.29 -45.37 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.7 p -65.51 159.36 24.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.0 t . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.917 179.929 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo . . . . . 0 CA--C 1.527 0.167 0 N-CA-C 112.677 0.222 . . . . 0.0 112.677 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -55.22 -43.62 74.68 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.885 0.374 . . . . 0.0 110.856 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -77.4 -33.62 55.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.828 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.7 ttt-85 -83.9 3.62 33.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.574 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.91 -65.07 0.77 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.024 0.44 . . . . 0.0 111.031 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.7 m -47.64 -43.57 26.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.092 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -68.76 -35.34 76.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.778 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.0 tp . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.001 -179.881 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 C--O 1.232 0.189 0 N-CA-C 112.594 0.19 . . . . 0.0 112.594 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -62.29 -55.77 24.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.782 0.325 . . . . 0.0 110.789 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.07 -34.71 78.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.773 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -71.66 -17.56 62.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.339 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.64 -63.75 1.0 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.073 0.463 . . . . 0.0 110.84 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 34.8 m -48.35 -44.43 34.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.986 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.29 -23.57 63.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.949 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.8 tp . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.482 -179.887 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo . . . . . 0 C--O 1.231 0.144 0 CA-C-O 120.735 0.223 . . . . 0.0 112.434 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.63 -49.41 76.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.804 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -64.96 -38.19 90.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.688 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -65.07 -31.36 72.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.875 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.92 -64.78 0.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.95 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.3 m -46.34 -44.77 17.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.104 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.6 ttt85 -64.43 -32.57 74.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.646 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.8 tp . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.115 179.945 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo . . . . . 0 N--CA 1.465 -0.161 0 CA-C-O 120.739 0.224 . . . . 0.0 112.543 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -61.96 -56.07 22.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.913 0.387 . . . . 0.0 110.698 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -69.38 -39.01 78.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.77 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -67.38 -23.77 65.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.05 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.87 -64.53 0.84 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.073 0.463 . . . . 0.0 110.868 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 87.3 m -48.22 -41.81 28.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.915 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.04 -29.02 64.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.801 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.404 HD22 ' HA ' ' A' ' 10' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.104 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.694 0.206 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -60.16 -53.2 60.57 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.912 0.386 . . . . 0.0 110.83 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -65.32 -41.53 93.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.768 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.506 ' O ' HD23 ' A' ' 10' ' ' LEU . 3.5 tpt180 -63.84 -18.55 64.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.239 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.4 -64.23 0.9 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.06 0.457 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.2 m -50.74 -38.84 49.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.913 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.58 -26.32 50.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.96 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.506 HD23 ' O ' ' A' ' 6' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.152 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo . . . . . 0 C--O 1.231 0.138 0 CA-C-O 120.709 0.212 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.38 -50.8 72.39 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.925 0.393 . . . . 0.0 110.808 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -67.35 -42.23 83.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.762 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.3 ttt-85 -64.26 -18.88 64.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.21 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.7 -64.03 0.94 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.089 0.471 . . . . 0.0 110.902 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.8 m -51.73 -40.78 60.83 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.734 -0.667 . . . . 0.0 111.0 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.1 tpp85 -69.99 -31.23 68.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.7 tt . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 -179.922 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo . . . . . 0 C--O 1.231 0.144 0 N-CA-C 112.695 0.229 . . . . 0.0 112.695 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -59.42 -52.45 65.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.837 0.351 . . . . 0.0 110.715 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -69.6 -40.69 76.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.774 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -64.99 -22.86 67.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.021 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.26 -64.07 0.94 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.118 0.485 . . . . 0.0 110.897 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.8 m -49.0 -37.03 19.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.981 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.8 tpp85 -74.89 -31.63 61.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.008 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.018 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo . . . . . 0 C--O 1.233 0.233 0 CA-C-O 120.739 0.224 . . . . 0.0 112.273 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -58.06 -50.02 74.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.629 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -61.73 -35.32 77.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.429 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.9 ttt180 -65.91 -33.44 75.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.645 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.53 -64.66 0.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.644 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.2 m -50.11 -36.28 29.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.553 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -71.1 -33.1 69.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.48 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.581 HD23 ' O ' ' A' ' 10' ' ' LEU . 1.8 tt . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.994 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo . . . . . 0 CA--C 1.527 0.149 0 N-CA-C 112.681 0.223 . . . . 0.0 112.681 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.55 -40.39 65.53 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.803 0.335 . . . . 0.0 110.977 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -76.32 -40.6 51.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.685 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.77 -23.27 66.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.118 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.77 -64.54 0.84 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.004 0.43 . . . . 0.0 110.911 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.0 m -50.89 -43.92 59.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.037 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -69.3 -23.75 63.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.003 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.8 tp . . . . . 0 C--N 1.331 -0.21 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.147 -179.948 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo . . . . . 0 CA--C 1.528 0.2 0 N-CA-C 112.796 0.268 . . . . 0.0 112.796 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -60.39 -52.88 63.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.854 0.359 . . . . 0.0 110.74 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -65.03 -40.79 95.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.6 ttp180 -63.56 -28.72 70.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.973 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.22 -64.8 0.8 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.013 0.435 . . . . 0.0 110.953 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 22.1 m -48.16 -40.8 25.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.018 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -70.97 -29.98 66.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.815 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.98 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo . . . . . 0 CA--C 1.53 0.291 0 N-CA-C 112.772 0.259 . . . . 0.0 112.772 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -54.89 37.91 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.903 0.383 . . . . 0.0 110.829 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.37 -37.25 86.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.823 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.23 -26.25 66.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.035 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.35 -64.57 0.84 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.829 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.6 m -48.95 -40.85 31.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.956 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.38 -26.9 63.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.783 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.277 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo . . . . . 0 C--O 1.23 0.085 0 CA-C-O 120.826 0.261 . . . . 0.0 112.292 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -53.18 60.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.679 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -61.69 -35.97 79.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.511 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.0 -21.92 66.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.015 179.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.06 -63.96 0.97 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.04 0.448 . . . . 0.0 110.78 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.0 m -53.42 -42.18 66.76 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.822 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 33.7 ttt85 -74.21 -19.3 60.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.143 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.4 tp . . . . . 0 C--N 1.333 -0.14 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.294 -179.923 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo . . . . . 0 C--O 1.231 0.16 0 CA-C-O 120.691 0.204 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -57.49 -48.77 78.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -70.68 -41.84 71.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.779 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.401 ' HB3' ' NH1' ' A' ' 6' ' ' ARG . 1.7 ttm105 -66.1 -29.02 69.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.987 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.93 -64.22 0.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.028 0.442 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.1 m -47.67 -38.57 15.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.4 ttt-85 -72.1 -35.73 69.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.776 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.8 tp . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.948 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo . . . . . 0 C--O 1.231 0.154 0 CA-C-O 120.721 0.217 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -60.26 -54.11 49.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.733 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -70.12 -34.8 73.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.721 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -77.25 -5.05 47.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.375 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.87 -63.32 1.14 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.086 0.469 . . . . 0.0 110.79 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.9 m -50.78 -38.94 51.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.101 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -73.11 -36.17 66.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.921 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.49 HD23 ' O ' ' A' ' 10' ' ' LEU . 9.5 tt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.119 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo . . . . . 0 CA--C 1.527 0.174 0 N-CA-C 112.676 0.222 . . . . 0.0 112.676 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -58.46 -51.28 70.5 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.89 0.376 . . . . 0.0 110.728 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -68.66 -41.16 79.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.734 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.7 tpt85 -65.92 -29.3 69.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.964 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.51 -62.54 1.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.988 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.7 m -42.64 -37.41 1.7 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.255 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.1 ttm105 -78.6 -39.1 38.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.636 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.25 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.879 0.371 . . . . 0.0 111.224 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.73 54.29 0.37 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.35 -8.2 22.88 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.535 2.157 . . . . 0.0 112.677 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -55.22 -43.62 74.68 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.885 0.374 . . . . 0.0 110.856 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -77.4 -33.62 55.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.828 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.7 ttt-85 -83.9 3.62 33.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.574 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.91 -65.07 0.77 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.024 0.44 . . . . 0.0 111.031 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.7 m -47.64 -43.57 26.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.092 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -68.76 -35.34 76.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.778 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.0 tp -64.47 -28.49 69.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.001 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -127.65 45.65 2.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.962 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -102.36 33.38 3.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.818 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 15.8 mtp -97.15 -43.74 7.26 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.14 145.51 1.78 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.939 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -67.52 -29.08 68.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.021 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -152.23 84.9 1.26 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.837 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.68 152.25 42.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.179 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.47 137.49 58.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.101 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.0 tttm -60.96 126.25 26.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -176.91 155.51 1.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.958 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.8 tt -85.17 -30.66 23.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.953 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 54.0 p -125.46 -59.6 1.37 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.205 -0.903 . . . . 0.0 110.885 179.931 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 . . . . . 0 N--CA 1.488 1.435 0 CA-C-O 120.803 0.335 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.97 166.73 16.71 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.827 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.41 -10.04 27.81 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.659 2.24 . . . . 0.0 112.594 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -62.29 -55.77 24.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.782 0.325 . . . . 0.0 110.789 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.07 -34.71 78.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.773 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -71.66 -17.56 62.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.339 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.64 -63.75 1.0 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.073 0.463 . . . . 0.0 110.84 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 34.8 m -48.35 -44.43 34.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.986 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.29 -23.57 63.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.949 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.8 tp -66.54 -13.08 60.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.482 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.42 31.3 2.28 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 121.089 0.471 . . . . 0.0 110.959 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.81 47.8 2.03 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.72 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.5 mmt -55.62 153.05 8.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.166 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 52.9 p -60.2 124.98 21.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.0 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.17 -21.01 58.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.027 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -54.53 91.81 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.075 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.73 101.48 0.26 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.265 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.97 153.92 39.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.103 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.26 132.46 52.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 66.9 mmt-85 61.31 114.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.96 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.8 mt 60.94 107.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.815 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.0 p -149.42 85.8 1.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.905 179.978 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.852 0.358 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.422 ' CB ' ' CD ' ' A' ' 3' ' ' PRO . 0.4 OUTLIER -178.77 -61.59 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.422 ' CD ' ' CB ' ' A' ' 2' ' ' SER . 58.6 Cg_endo -71.77 -21.77 24.61 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.523 2.149 . . . . 0.0 112.434 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.63 -49.41 76.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.804 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -64.96 -38.19 90.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.688 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -65.07 -31.36 72.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.875 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.92 -64.78 0.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.95 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.3 m -46.34 -44.77 17.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.104 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.6 ttt85 -64.43 -32.57 74.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.646 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.8 tp -67.15 -26.87 66.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.115 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -116.37 39.68 3.06 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.911 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -125.39 44.97 2.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.922 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -156.9 46.96 0.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.837 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.67 151.07 34.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.84 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -65.52 163.71 15.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 4.2 t80 62.71 39.31 11.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -91.65 16.44 10.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.496 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.16 172.83 8.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.738 0.304 . . . . 0.0 111.181 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -177.85 101.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.04 30.8 19.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.07 -24.72 27.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 67.8 m -54.79 -49.54 70.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.078 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.1 p . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.908 179.995 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.845 0.355 . . . . 0.0 111.15 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 m -132.33 138.75 32.92 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -76.66 -21.23 13.03 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.553 2.168 . . . . 0.0 112.543 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -61.96 -56.07 22.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.913 0.387 . . . . 0.0 110.698 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -69.38 -39.01 78.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.77 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -67.38 -23.77 65.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.05 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.87 -64.53 0.84 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.073 0.463 . . . . 0.0 110.868 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 87.3 m -48.22 -41.81 28.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.915 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.04 -29.02 64.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.801 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.404 HD22 ' HA ' ' A' ' 10' ' ' LEU . 0.2 OUTLIER -61.37 -19.85 62.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.104 179.925 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -108.29 36.95 2.62 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 120.981 0.42 . . . . 0.0 110.926 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.75 34.33 2.68 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.689 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 69.33 -64.43 0.34 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.176 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -48.76 120.32 3.73 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.864 0.364 . . . . 0.0 111.149 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -134.67 -42.62 0.76 Allowed 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.198 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 14.8 p90 -49.31 134.5 18.41 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.253 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.61 173.28 1.31 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.123 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.07 141.04 58.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.174 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.3 pptp? -63.4 134.88 56.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.949 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.1 ptt85 -59.93 -174.54 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.945 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 22.2 mt 63.48 109.79 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.9 t -169.85 120.38 0.65 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 69.7 m . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.931 -179.954 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.485 1.306 0 CA-C-O 120.717 0.294 . . . . 0.0 111.229 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.424 ' CB ' ' CD ' ' A' ' 3' ' ' PRO . 0.0 OUTLIER -170.29 -63.14 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.936 179.91 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.424 ' CD ' ' CB ' ' A' ' 2' ' ' SER . 38.1 Cg_endo -66.07 -14.97 46.85 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.457 2.104 . . . . 0.0 112.475 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -60.16 -53.2 60.57 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.912 0.386 . . . . 0.0 110.83 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -65.32 -41.53 93.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.768 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.506 ' O ' HD23 ' A' ' 10' ' ' LEU . 3.5 tpt180 -63.84 -18.55 64.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.239 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.4 -64.23 0.9 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.06 0.457 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.2 m -50.74 -38.84 49.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.913 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.58 -26.32 50.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.96 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.506 HD23 ' O ' ' A' ' 6' ' ' ARG . 0.2 OUTLIER -54.53 -30.21 53.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.152 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.5 tptp -120.35 40.34 3.5 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.078 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.7 tpp180 -134.94 37.72 3.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.991 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.4 mmm 57.87 106.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.988 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.8 t -60.62 174.32 0.6 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -59.88 -79.21 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.958 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -91.91 171.29 9.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.06 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.46 138.3 58.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.146 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.62 175.51 1.83 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.131 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.6 mttm -64.83 140.96 58.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.94 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.09 107.16 1.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 mt -153.62 -50.34 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.813 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 60.1 p -76.99 135.24 38.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.281 -0.866 . . . . 0.0 110.905 -179.974 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.775 0.322 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.419 ' CB ' ' CD ' ' A' ' 3' ' ' PRO . 0.4 OUTLIER -178.83 -61.71 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 -179.916 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.419 ' CD ' ' CB ' ' A' ' 2' ' ' SER . 41.9 Cg_endo -67.66 -14.03 40.66 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.516 2.144 . . . . 0.0 112.493 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.38 -50.8 72.39 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.925 0.393 . . . . 0.0 110.808 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -67.35 -42.23 83.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.762 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.3 ttt-85 -64.26 -18.88 64.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.21 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.7 -64.03 0.94 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.089 0.471 . . . . 0.0 110.902 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.8 m -51.73 -40.78 60.83 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.734 -0.667 . . . . 0.0 111.0 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.1 tpp85 -69.99 -31.23 68.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.7 tt -58.57 -32.23 68.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 mtmm -107.13 35.58 2.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.02 0.438 . . . . 0.0 110.807 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.1 34.83 3.15 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.943 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.18 138.5 45.71 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.824 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 36.1 t -176.51 133.11 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.99 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -135.24 132.68 38.13 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -174.6 96.99 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.95 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.12 86.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.088 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.86 -51.04 71.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.207 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.0 mttt 62.59 120.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.38 31.95 2.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 60.28 -177.42 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.802 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.37 35.97 1.69 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.9 t . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.911 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.899 0.381 . . . . 0.0 111.148 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -140.27 93.62 8.95 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.826 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -66.98 -13.59 40.51 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.43 2.086 . . . . 0.0 112.695 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -59.42 -52.45 65.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.837 0.351 . . . . 0.0 110.715 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -69.6 -40.69 76.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.774 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -64.99 -22.86 67.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.021 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.26 -64.07 0.94 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.118 0.485 . . . . 0.0 110.897 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.8 m -49.0 -37.03 19.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.981 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.8 tpp85 -74.89 -31.63 61.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.008 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.31 -29.85 69.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.02 34.61 2.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.048 0.452 . . . . 0.0 110.787 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -127.66 39.22 3.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.901 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 60.33 30.07 19.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.978 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.02 82.15 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.969 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -85.26 134.25 34.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.061 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 58.18 40.56 24.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.118 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.87 155.3 34.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.171 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.74 -78.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.968 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -64.02 137.89 58.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.665 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -177.52 162.02 1.79 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.2 mp 60.92 156.46 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.947 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 44.7 p -176.72 161.14 2.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.1 t . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.825 179.972 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.827 0.346 . . . . 0.0 111.192 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.01 165.91 4.29 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -66.89 -27.25 43.65 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.548 2.165 . . . . 0.0 112.273 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -58.06 -50.02 74.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.629 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -61.73 -35.32 77.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.429 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.9 ttt180 -65.91 -33.44 75.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.645 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.53 -64.66 0.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.644 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.2 m -50.11 -36.28 29.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.553 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -71.1 -33.1 69.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.48 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.581 HD23 ' O ' ' A' ' 10' ' ' LEU . 1.8 tt -62.81 -29.3 70.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.994 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -117.8 40.21 3.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -113.47 38.41 2.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 32.7 mtm -125.79 119.55 28.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.992 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.95 80.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -63.34 82.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.021 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 62.4 t80 58.84 84.58 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.005 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.41 137.51 56.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.06 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.81 81.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.099 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.17 151.48 43.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.965 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -177.11 -53.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.5 mt -95.24 70.9 3.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.769 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.0 p -167.8 33.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.4 p . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.185 -0.912 . . . . 0.0 110.922 -179.976 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.861 0.362 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m -176.29 163.3 1.82 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.51 -6.54 19.25 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.681 2.254 . . . . 0.0 112.681 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.55 -40.39 65.53 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.803 0.335 . . . . 0.0 110.977 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -76.32 -40.6 51.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.685 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.77 -23.27 66.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.118 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.77 -64.54 0.84 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.004 0.43 . . . . 0.0 110.911 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.0 m -50.89 -43.92 59.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.037 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -69.3 -23.75 63.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.003 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.8 tp -54.53 -37.12 65.02 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.147 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.49 36.4 4.41 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.996 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -139.06 37.53 2.13 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.882 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.9 mmt -81.91 -28.1 33.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.051 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.26 132.68 4.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -69.83 65.93 0.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.016 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -68.98 78.62 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.93 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.16 61.28 1.57 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.143 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.44 -75.6 0.28 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.077 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.5 ttpt 61.96 116.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.947 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.3 mtt-85 -174.93 -77.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' A' ' 21' ' ' LEU . 9.2 tp -178.55 165.12 1.7 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.2 t -89.69 -59.78 2.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.904 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 N--CA 1.488 1.425 0 CA-C-O 120.903 0.383 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.417 ' CB ' ' CD ' ' A' ' 3' ' ' PRO . 0.5 OUTLIER -86.47 -62.46 0.24 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.273 -179.871 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.417 ' CD ' ' CB ' ' A' ' 2' ' ' SER . 72.1 Cg_endo -76.79 -3.07 13.35 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.492 2.128 . . . . 0.0 112.796 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -60.39 -52.88 63.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.854 0.359 . . . . 0.0 110.74 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -65.03 -40.79 95.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.6 ttp180 -63.56 -28.72 70.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.973 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.22 -64.8 0.8 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.013 0.435 . . . . 0.0 110.953 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 22.1 m -48.16 -40.8 25.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.018 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -70.97 -29.98 66.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.815 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.76 -29.21 66.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.98 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.1 ttpp -119.84 41.35 3.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.886 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.3 ttt85 -131.36 40.59 3.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 60.57 108.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.1 t -176.85 144.85 0.48 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.969 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -134.29 102.63 5.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -70.49 64.58 0.28 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.052 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.01 85.94 4.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.156 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.58 -81.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.168 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.3 ttmt 178.96 149.47 0.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.889 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? 58.63 -177.74 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -125.68 172.84 9.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 90.1 p -120.22 -45.21 2.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.0 m . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.95 -179.995 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.81 0.338 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.37 165.36 50.64 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -78.32 0.98 9.42 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.687 2.258 . . . . 0.0 112.772 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -54.89 37.91 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.903 0.383 . . . . 0.0 110.829 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.37 -37.25 86.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.823 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.23 -26.25 66.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.035 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.35 -64.57 0.84 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.829 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.6 m -48.95 -40.85 31.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.956 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.38 -26.9 63.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.783 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.53 -16.21 60.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.277 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.89 32.89 2.48 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-O 121.076 0.465 . . . . 0.0 110.769 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -130.76 38.32 3.72 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.797 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -173.24 -76.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.771 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.1 119.44 18.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.835 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -69.95 65.85 0.25 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.934 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 21.6 t80 57.33 36.38 27.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.987 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.67 -80.0 0.12 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.03 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.65 130.93 40.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.052 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -178.16 172.35 1.59 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.6 mtt85 -172.18 104.02 0.17 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.5 tp 60.61 101.35 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.969 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -84.39 174.88 9.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.82 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.8 t . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.901 -179.968 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.85 0.357 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.38 98.35 5.47 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.963 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -67.3 -33.76 29.32 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.417 2.078 . . . . 0.0 112.292 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -53.18 60.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.679 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -61.69 -35.97 79.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.511 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.0 -21.92 66.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.015 179.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.06 -63.96 0.97 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.04 0.448 . . . . 0.0 110.78 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.0 m -53.42 -42.18 66.76 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.822 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 33.7 ttt85 -74.21 -19.3 60.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.143 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.4 tp -50.14 -26.48 4.57 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.294 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -106.65 35.49 2.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.986 0.422 . . . . 0.0 110.888 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -134.71 38.82 3.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.966 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -107.88 58.26 0.62 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.029 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.73 75.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -79.51 59.39 2.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.027 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 54.9 t80 57.05 67.56 0.97 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.938 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.54 121.22 13.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.166 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.74 153.2 29.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.23 175.09 1.55 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.8 ptt180 -176.73 61.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 60.16 169.8 0.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.1 m 61.38 154.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 . . . . . 0 N--CA 1.488 1.427 0 CA-C-O 120.893 0.378 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.8 m -133.05 145.95 59.15 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.961 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -73.42 -22.76 18.21 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.556 2.17 . . . . 0.0 112.457 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -57.49 -48.77 78.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -70.68 -41.84 71.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.779 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.401 ' HB3' ' NH1' ' A' ' 6' ' ' ARG . 1.7 ttm105 -66.1 -29.02 69.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.987 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.93 -64.22 0.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.028 0.442 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.1 m -47.67 -38.57 15.23 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.4 ttt-85 -72.1 -35.73 69.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.776 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.8 tp -61.37 -33.56 73.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.05 34.32 3.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.041 0.448 . . . . 0.0 110.831 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -108.72 35.8 3.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.837 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.69 -168.25 0.83 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.9 t -96.09 38.06 1.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.58 -79.41 0.15 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 23.4 p90 -72.5 134.99 45.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.91 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.01 78.92 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.174 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.67 75.79 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.1 mptt -61.69 156.27 20.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.7 mtp180 -60.41 149.81 32.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 63.86 129.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.816 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.3 t 60.52 165.92 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.942 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.918 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.847 0.356 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.409 ' CB ' ' CD ' ' A' ' 3' ' ' PRO . 1.1 m -179.28 -61.48 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.409 ' CD ' ' CB ' ' A' ' 2' ' ' SER . 49.9 Cg_endo -68.98 -22.1 36.17 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.452 2.102 . . . . 0.0 112.534 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -60.26 -54.11 49.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.733 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -70.12 -34.8 73.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.721 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -77.25 -5.05 47.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.375 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.87 -63.32 1.14 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.086 0.469 . . . . 0.0 110.79 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.9 m -50.78 -38.94 51.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.101 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -73.11 -36.17 66.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.921 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.49 HD23 ' O ' ' A' ' 10' ' ' LEU . 9.5 tt -58.89 -22.27 59.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.119 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.6 tptm -126.7 45.56 2.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.873 0.368 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.54 33.42 2.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.699 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.5 ttp 66.9 -73.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.924 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.27 163.83 2.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.898 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.77 -175.52 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -58.33 152.12 18.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.43 3.76 30.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.821 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.85 49.74 1.86 Allowed 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 120.792 0.33 . . . . 0.0 111.43 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.1 tttp -177.7 136.59 0.19 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.956 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -61.67 151.84 32.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.8 mt -94.28 69.78 3.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.921 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 44.0 t -177.13 85.04 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.0 t . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.213 -0.899 . . . . 0.0 110.836 -179.959 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.79 0.329 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -131.85 145.53 57.89 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -75.86 -3.49 13.93 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.576 2.184 . . . . 0.0 112.676 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -58.46 -51.28 70.5 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.89 0.376 . . . . 0.0 110.728 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -68.66 -41.16 79.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.734 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.7 tpt85 -65.92 -29.3 69.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.964 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.51 -62.54 1.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.988 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.7 m -42.64 -37.41 1.7 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.255 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.1 ttm105 -78.6 -39.1 38.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.636 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.88 -17.55 62.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.25 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.74 52.75 1.93 Allowed 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 120.965 0.412 . . . . 0.0 110.738 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.7 ttt85 -96.7 31.91 2.2 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.8 mtt 61.82 119.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.156 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.9 t 56.28 76.94 0.27 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.137 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.93 62.5 0.2 Allowed 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.238 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -178.58 39.42 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.794 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.64 -175.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.188 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.06 157.76 7.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.148 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -174.99 63.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.938 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.9 mtm180 -60.52 128.82 38.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -160.29 -45.37 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.7 p -65.51 159.36 24.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.0 t . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.917 179.929 . . . . . . . . 0 0 . 1 stop_ save_