data_2l6q_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 2l6q _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 ' 5' ' ' GLU . . . . . 0.466 ' CD ' ' N ' ' A' ' 5' ' ' GLU . 17.3 mp0 . . . . . 0 N--CA 1.499 2.016 0 CA-C-O 121.169 0.509 . . . . 0.0 110.345 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -47.3 -33.19 5.38 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.062 -1.024 . . . . 0.0 109.868 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.9 tp -56.12 -54.55 43.71 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.08 -1.012 . . . . 0.0 108.892 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.49 -31.15 44.67 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.469 -0.769 . . . . 0.0 110.252 -179.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.88 -37.77 73.05 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.095 -1.003 . . . . 0.0 110.163 -179.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.54 -41.85 92.58 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.092 -1.005 . . . . 0.0 109.858 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 72.0 mtm180 -58.76 -38.08 77.68 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.158 -0.964 . . . . 0.0 109.153 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.2 -39.74 87.6 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.416 -0.802 . . . . 0.0 109.615 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.23 -39.85 80.17 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.179 -0.951 . . . . 0.0 109.38 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 24.6 tp -61.14 -33.43 73.39 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.103 -0.998 . . . . 0.0 108.86 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.45 ' O ' ' OG1' ' A' ' 19' ' ' THR . 60.3 t-80 -75.68 -41.15 54.57 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.281 -0.887 . . . . 0.0 110.831 -179.431 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -76.27 -37.65 57.28 Favored 'General case' 0 C--N 1.297 -1.688 0 O-C-N 120.825 -1.172 . . . . 0.0 111.459 -178.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 72.5 mt -69.82 -29.11 66.31 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.672 -1.267 . . . . 0.0 110.908 -178.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.432 ' O ' ' CG ' ' A' ' 18' ' ' MET . 21.4 ttm -102.36 0.26 33.78 Favored 'General case' 0 N--CA 1.502 2.133 0 O-C-N 120.863 -1.148 . . . . 0.0 110.497 -179.177 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.45 ' OG1' ' O ' ' A' ' 15' ' ' HIS . 15.8 m -96.83 -23.19 16.49 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.063 -1.023 . . . . 0.0 109.596 179.577 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 165.67 -71.26 0.18 Allowed Glycine 0 N--CA 1.491 2.361 0 C-N-CA 119.562 -1.304 . . . . 0.0 110.083 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 42.3 mttp -45.69 130.39 9.12 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.264 -1.139 . . . . 0.0 109.672 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -92.48 -15.11 27.51 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.317 -0.864 . . . . 0.0 110.06 -179.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.4 p -111.57 145.34 17.89 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.289 0 O-C-N 121.485 -0.759 . . . . 0.0 110.55 -179.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.93 132.34 13.77 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 179.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.7 p -107.83 156.01 19.62 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.339 -0.85 . . . . 0.0 109.764 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.5 t . . . . . 0 N--CA 1.499 2.014 0 O-C-N 121.27 -0.894 . . . . 0.0 108.8 178.876 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.477 ' CD ' ' N ' ' A' ' 34' ' ' GLU . 3.1 mp0 . . . . . 0 N--CA 1.497 1.919 0 CA-C-O 121.793 0.806 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -141.21 136.32 31.63 Favored 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 38' ' ' THR . 9.3 p -117.87 153.03 34.22 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.461 -0.775 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.81 -18.75 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.412 -0.805 . . . . 0.0 110.604 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 36' ' ' THR . 6.4 m -69.51 -23.79 63.66 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 120.715 -1.24 . . . . 0.0 110.346 -179.341 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.464 ' C ' ' H ' ' A' ' 41' ' ' SER . 88.4 p -111.25 16.24 21.06 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.207 -0.933 . . . . 0.0 110.053 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.7 p -50.64 -12.45 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.06 -1.025 . . . . 0.0 109.353 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.519 ' HG ' ' N ' ' A' ' 42' ' ' ASP . 90.1 p -84.99 -52.85 5.69 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.958 -1.089 . . . . 0.0 110.608 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.542 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 28.6 p-10 -60.69 -23.82 65.15 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.852 -1.155 . . . . 0.0 109.437 -179.359 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.542 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 7.8 tp -74.0 -41.56 61.7 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 120.889 -1.132 . . . . 0.0 107.969 178.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 41.3 mttm -51.37 -37.16 46.67 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.109 -0.994 . . . . 0.0 108.798 179.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.4 ttmm -70.31 -45.86 65.41 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.159 -0.963 . . . . 0.0 109.809 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -53.09 -28.84 27.18 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.328 -0.858 . . . . 0.0 109.33 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.437 HG23 HD12 ' A' ' 47' ' ' ILE . 88.7 mt -79.51 -33.47 15.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.236 -0.915 . . . . 0.0 109.11 179.555 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.17 -37.04 64.1 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.306 -0.871 . . . . 0.0 109.949 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -68.37 -33.86 75.02 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.156 -0.965 . . . . 0.0 110.325 -179.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 48.7 mt -72.07 -32.27 66.9 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 120.719 -1.238 . . . . 0.0 109.232 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -66.54 -29.42 69.5 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.838 -1.164 . . . . 0.0 109.23 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 71.2 t -82.37 -20.47 10.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.054 -1.029 . . . . 0.0 109.662 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -92.01 -8.13 46.93 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.124 -0.985 . . . . 0.0 109.232 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.496 1.847 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 . . . . . 0 N--CA 1.5 2.056 0 CA-C-O 121.17 0.509 . . . . 0.0 109.772 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -46.98 -32.56 3.98 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.095 -1.003 . . . . 0.0 109.845 -179.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 14.0 tp -57.43 -54.55 45.56 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.101 -0.999 . . . . 0.0 108.866 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.19 -30.56 38.17 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.309 -0.869 . . . . 0.0 110.16 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.47 -35.65 70.91 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.157 -0.964 . . . . 0.0 110.107 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.84 -40.52 83.69 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.115 -0.991 . . . . 0.0 109.888 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.54 -35.08 76.74 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.098 -1.001 . . . . 0.0 109.069 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.12 -39.18 93.49 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.491 -0.756 . . . . 0.0 109.523 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.92 -39.45 78.02 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.159 -0.963 . . . . 0.0 109.191 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.7 tp -64.41 -33.53 76.07 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.129 -0.982 . . . . 0.0 108.738 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.459 ' O ' ' OG1' ' A' ' 19' ' ' THR . 83.0 t60 -75.86 -41.7 51.59 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.3 -0.875 . . . . 0.0 110.703 -179.448 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -75.92 -37.5 58.68 Favored 'General case' 0 C--N 1.296 -1.749 0 O-C-N 120.915 -1.115 . . . . 0.0 111.339 -178.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 51.4 mt -69.21 -29.7 67.72 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.765 -1.209 . . . . 0.0 110.732 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.451 ' O ' ' CG ' ' A' ' 18' ' ' MET . 21.3 ttm -103.0 0.12 31.67 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 120.98 -1.075 . . . . 0.0 110.83 -178.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.459 ' OG1' ' O ' ' A' ' 15' ' ' HIS . 18.4 m -97.61 -23.2 16.09 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.967 -1.083 . . . . 0.0 109.716 179.673 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 170.35 -72.8 0.12 Allowed Glycine 0 N--CA 1.492 2.403 0 C-N-CA 119.482 -1.342 . . . . 0.0 109.983 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -46.0 132.19 9.48 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.177 -1.19 . . . . 0.0 109.581 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.7 ptt180 -93.22 -14.63 26.84 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.297 -0.877 . . . . 0.0 110.125 -179.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 p -115.93 148.76 18.44 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.212 0 CA-C-O 121.79 0.805 . . . . 0.0 110.997 -178.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.22 152.83 33.83 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.6 m -139.83 144.93 37.55 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.144 -0.973 . . . . 0.0 109.981 -179.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.2 m . . . . . 0 N--CA 1.497 1.912 0 O-C-N 121.227 -0.921 . . . . 0.0 108.982 179.056 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 . . . . . 0 N--CA 1.496 1.859 0 CA-C-O 121.458 0.647 . . . . 0.0 109.969 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -136.81 135.92 38.38 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 38' ' ' THR . 8.1 p -118.49 152.69 35.47 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.591 -0.693 . . . . 0.0 109.172 179.69 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.85 -18.63 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.359 -0.838 . . . . 0.0 110.723 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 36' ' ' THR . 6.4 m -69.96 -23.31 63.15 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.721 -1.237 . . . . 0.0 110.597 -179.167 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.502 ' O ' ' N ' ' A' ' 41' ' ' SER . 98.7 p -113.05 16.21 19.36 Favored 'General case' 0 N--CA 1.505 2.292 0 O-C-N 121.147 -0.97 . . . . 0.0 109.96 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.5 p -48.61 -12.11 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.082 -1.011 . . . . 0.0 109.694 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.502 ' N ' ' O ' ' A' ' 39' ' ' SER . 91.5 p -84.14 -52.76 6.01 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.931 -1.106 . . . . 0.0 110.635 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.561 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 52.3 p-10 -59.16 -24.26 62.89 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.864 -1.147 . . . . 0.0 109.496 -179.241 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.561 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 7.9 tp -74.4 -41.29 61.19 Favored 'General case' 0 N--CA 1.486 1.327 0 O-C-N 120.86 -1.15 . . . . 0.0 108.137 178.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.3 mttm -51.53 -35.8 42.19 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.13 -0.981 . . . . 0.0 108.822 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -71.35 -45.61 62.5 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.154 -0.966 . . . . 0.0 109.683 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -53.47 -28.95 33.31 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.193 -0.942 . . . . 0.0 109.376 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.425 HD11 HG23 ' A' ' 47' ' ' ILE . 84.8 mt -78.05 -32.76 17.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.223 -0.923 . . . . 0.0 109.132 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.89 -38.37 64.4 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.293 -0.879 . . . . 0.0 110.008 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -67.27 -33.95 76.4 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.204 -0.935 . . . . 0.0 110.531 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 49.8 mt -72.16 -32.06 66.51 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 120.678 -1.264 . . . . 0.0 109.365 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -66.83 -29.07 68.89 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.847 -1.158 . . . . 0.0 109.268 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 70.3 t -82.09 -20.65 10.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.025 -1.047 . . . . 0.0 109.958 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -91.12 -9.23 46.35 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.955 -1.09 . . . . 0.0 108.973 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.494 1.749 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.404 ' CD ' ' N ' ' A' ' 5' ' ' GLU . 15.1 mp0 . . . . . 0 N--CA 1.5 2.034 0 CA-C-O 121.232 0.539 . . . . 0.0 110.283 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.55 ' CD ' ' H ' ' A' ' 6' ' ' GLU . 2.0 pm0 -47.49 -35.48 8.83 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.154 -0.967 . . . . 0.0 109.703 -179.259 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 14.9 tp -53.04 -54.17 39.33 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.12 -0.987 . . . . 0.0 108.744 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.87 -34.52 54.87 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.577 -0.702 . . . . 0.0 110.249 -179.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.62 -34.6 77.3 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.157 -0.964 . . . . 0.0 110.241 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.99 -40.92 75.01 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.08 -1.013 . . . . 0.0 109.989 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 83.0 mtm180 -60.62 -31.44 70.62 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.048 -1.033 . . . . 0.0 108.947 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.92 -37.62 81.91 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.359 -0.838 . . . . 0.0 109.384 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.48 -32.5 71.49 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.155 -0.966 . . . . 0.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 25.8 tp -72.12 -34.34 68.5 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.226 -0.921 . . . . 0.0 109.179 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.461 ' O ' ' OG1' ' A' ' 19' ' ' THR . 68.1 m80 -76.98 -37.81 54.44 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.201 -0.937 . . . . 0.0 110.587 -179.591 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.78 -33.2 60.17 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 120.97 -1.081 . . . . 0.0 110.724 -178.225 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 76.5 mt -78.15 -29.13 48.52 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 120.62 -1.3 . . . . 0.0 111.494 -178.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.425 ' O ' ' CG ' ' A' ' 18' ' ' MET . 24.4 ttm -102.85 -2.27 28.2 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 120.846 -1.159 . . . . 0.0 110.913 -178.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.461 ' OG1' ' O ' ' A' ' 15' ' ' HIS . 24.0 m -91.9 -23.03 19.75 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.804 -1.185 . . . . 0.0 109.447 179.411 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 160.18 -51.56 0.36 Allowed Glycine 0 N--CA 1.49 2.274 0 C-N-CA 119.732 -1.223 . . . . 0.0 110.127 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.4 mmtm -49.43 135.26 18.04 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.056 -1.261 . . . . 0.0 109.229 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -93.35 -12.64 29.5 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.306 -0.872 . . . . 0.0 110.971 -178.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.8 p -132.96 149.86 32.26 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.319 0 O-C-N 121.117 -0.99 . . . . 0.0 111.154 -178.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -145.23 153.13 41.0 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 179.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.7 p -139.16 144.11 38.45 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.178 -0.951 . . . . 0.0 110.027 -179.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.8 m . . . . . 0 N--CA 1.498 1.956 0 O-C-N 121.14 -0.975 . . . . 0.0 109.035 178.753 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 . . . . . 0 N--CA 1.5 2.048 0 CA-C-O 121.478 0.656 . . . . 0.0 109.8 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -138.78 135.81 35.04 Favored 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 38' ' ' THR . 8.6 p -118.56 153.15 34.7 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.589 -0.694 . . . . 0.0 109.239 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.78 -18.38 0.04 OUTLIER 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.318 -0.864 . . . . 0.0 110.644 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 36' ' ' THR . 6.1 m -69.51 -23.63 63.63 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.778 -1.201 . . . . 0.0 110.601 -179.115 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 41' ' ' SER . 97.3 p -113.45 16.41 18.86 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 121.146 -0.971 . . . . 0.0 110.035 -179.684 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.7 p -49.57 -11.94 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 121.07 -1.019 . . . . 0.0 109.553 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 39' ' ' SER . 50.1 m -84.59 -52.67 5.94 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.949 -1.094 . . . . 0.0 110.586 -179.713 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.558 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 43.3 p-10 -59.66 -24.75 64.15 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.812 -1.18 . . . . 0.0 109.483 -179.316 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.558 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 7.3 tp -74.34 -41.25 61.39 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 120.933 -1.104 . . . . 0.0 108.182 178.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.1 mttm -51.32 -35.72 39.4 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.124 -0.985 . . . . 0.0 108.775 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -69.22 -42.77 75.26 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.195 -0.94 . . . . 0.0 109.587 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -57.71 -29.29 64.59 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.309 -0.869 . . . . 0.0 109.531 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.423 HD12 HG21 ' A' ' 47' ' ' ILE . 86.0 mt -79.37 -33.72 15.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.231 -0.918 . . . . 0.0 109.308 179.645 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.06 -38.96 63.79 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.225 -0.922 . . . . 0.0 109.997 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 67.6 tt0 -66.98 -34.2 77.23 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.206 -0.934 . . . . 0.0 110.583 -179.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 58.5 mt -72.33 -32.16 66.29 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.682 -1.262 . . . . 0.0 109.412 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -65.77 -29.18 69.65 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.749 -1.22 . . . . 0.0 109.157 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 69.8 t -82.07 -21.05 10.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.016 -1.053 . . . . 0.0 109.808 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -91.4 -8.51 47.69 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.065 -1.022 . . . . 0.0 108.846 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.495 1.786 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 . . . . . 0 N--CA 1.503 2.184 0 CA-C-O 121.012 0.434 . . . . 0.0 110.18 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -56.28 -38.85 71.77 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.994 -1.066 . . . . 0.0 109.335 -179.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 14.2 tp -50.93 -54.61 22.7 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.454 -0.779 . . . . 0.0 109.07 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.54 -32.18 57.79 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.403 -0.81 . . . . 0.0 110.109 -179.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.16 -37.09 72.23 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.136 -0.978 . . . . 0.0 110.11 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.3 -42.04 93.46 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.159 -0.963 . . . . 0.0 109.702 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 -58.49 -39.03 78.88 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.168 -0.957 . . . . 0.0 109.156 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.39 -42.34 95.68 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.389 -0.819 . . . . 0.0 109.671 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.89 -37.9 66.89 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.195 -0.94 . . . . 0.0 109.25 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 25.4 tp -64.86 -33.6 76.39 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.139 -0.976 . . . . 0.0 108.757 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.459 ' O ' ' OG1' ' A' ' 19' ' ' THR . 15.8 t-80 -75.91 -41.36 52.15 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.266 -0.896 . . . . 0.0 110.723 -179.53 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -76.46 -36.46 57.89 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 120.916 -1.115 . . . . 0.0 111.506 -178.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 68.4 mt -71.24 -28.82 64.45 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.751 -1.218 . . . . 0.0 110.858 -178.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.442 ' O ' ' CG ' ' A' ' 18' ' ' MET . 20.8 ttm -101.99 0.58 35.41 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 120.913 -1.117 . . . . 0.0 110.354 -179.24 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.459 ' OG1' ' O ' ' A' ' 15' ' ' HIS . 16.6 m -97.95 -23.31 15.87 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.081 -1.012 . . . . 0.0 109.622 179.581 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 167.45 -71.9 0.16 Allowed Glycine 0 N--CA 1.492 2.381 0 C-N-CA 119.494 -1.336 . . . . 0.0 110.271 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -45.11 131.77 7.44 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.188 -1.183 . . . . 0.0 109.839 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -93.4 -15.08 26.04 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.375 -0.828 . . . . 0.0 110.243 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.2 p -115.18 145.62 20.68 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.253 0 O-C-N 121.403 -0.811 . . . . 0.0 110.902 -178.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.39 135.5 16.67 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 179.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.6 p -109.79 154.55 22.8 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.385 -0.822 . . . . 0.0 109.865 -179.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.5 t . . . . . 0 N--CA 1.5 2.033 0 O-C-N 121.185 -0.947 . . . . 0.0 108.769 178.755 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.478 ' CD ' ' N ' ' A' ' 34' ' ' GLU . 6.0 mp0 . . . . . 0 N--CA 1.498 1.954 0 CA-C-O 121.773 0.797 . . . . 0.0 110.701 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -140.75 136.56 32.65 Favored 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.409 ' O ' ' N ' ' A' ' 38' ' ' THR . 10.5 p -117.51 153.39 33.25 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.463 -0.773 . . . . 0.0 109.591 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.34 -19.15 0.07 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.483 -0.761 . . . . 0.0 110.798 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 36' ' ' THR . 8.2 m -73.97 -22.06 59.77 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.742 -1.224 . . . . 0.0 110.479 -179.209 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.414 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 91.1 p -111.1 18.6 19.24 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.244 -0.91 . . . . 0.0 109.525 -179.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.0 p -56.91 -12.59 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.44 -0.788 . . . . 0.0 110.589 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.0 t -83.62 -53.31 5.75 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.614 -1.304 . . . . 0.0 110.634 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.465 ' OD1' ' N ' ' A' ' 42' ' ' ASP . 0.9 OUTLIER -57.73 -27.53 63.07 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.91 -1.118 . . . . 0.0 109.349 -179.597 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.2 tp -71.54 -41.46 69.12 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 120.996 -1.065 . . . . 0.0 108.25 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.1 mttm -51.65 -34.66 38.92 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.07 -1.019 . . . . 0.0 108.848 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt -73.23 -45.41 56.26 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.135 -0.978 . . . . 0.0 109.656 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -52.31 -28.81 20.56 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.325 -0.859 . . . . 0.0 109.217 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.428 HG23 HD12 ' A' ' 47' ' ' ILE . 87.7 mt -78.63 -33.77 17.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.319 -0.863 . . . . 0.0 109.099 179.679 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.77 -37.6 64.96 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.207 -0.933 . . . . 0.0 109.936 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -67.02 -33.81 76.35 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.18 -0.95 . . . . 0.0 110.52 -179.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 55.6 mt -72.77 -32.66 65.77 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 120.712 -1.243 . . . . 0.0 109.39 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -65.0 -29.42 70.34 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.775 -1.203 . . . . 0.0 109.005 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 77.1 t -82.52 -20.81 9.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.113 -0.992 . . . . 0.0 109.749 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -92.5 -8.25 45.06 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.084 -1.01 . . . . 0.0 109.469 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.496 1.868 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 -179.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 . . . . . 0 N--CA 1.503 2.198 0 CA-C-O 120.934 0.397 . . . . 0.0 110.103 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -46.87 -30.09 2.33 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.996 -1.065 . . . . 0.0 109.733 -178.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.0 tp -58.07 -54.64 44.63 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.24 -0.912 . . . . 0.0 108.658 179.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.91 -35.81 58.65 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.5 -0.75 . . . . 0.0 110.323 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.92 -43.4 83.39 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.131 -0.981 . . . . 0.0 110.11 -179.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.88 -43.52 90.93 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.088 -1.008 . . . . 0.0 109.771 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 63.0 mtm180 -57.37 -36.12 70.83 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.106 -0.996 . . . . 0.0 109.25 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.42 -41.3 98.59 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.404 -0.81 . . . . 0.0 109.82 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.17 -36.5 70.85 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.163 -0.96 . . . . 0.0 109.475 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 22.0 tp -65.12 -34.71 79.05 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.032 -1.042 . . . . 0.0 109.046 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.449 ' O ' ' OG1' ' A' ' 19' ' ' THR . 49.5 t60 -76.48 -40.35 50.53 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.068 -1.02 . . . . 0.0 110.625 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -76.24 -29.19 57.42 Favored 'General case' 0 C--N 1.295 -1.796 0 O-C-N 121.017 -1.052 . . . . 0.0 111.453 -178.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 44.3 mt -78.69 -29.46 45.56 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 120.617 -1.302 . . . . 0.0 110.9 -179.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.494 ' O ' ' SD ' ' A' ' 18' ' ' MET . 24.8 tpp -101.85 -4.94 25.44 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 120.976 -1.077 . . . . 0.0 110.156 -178.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.449 ' OG1' ' O ' ' A' ' 15' ' ' HIS . 22.6 m -90.57 -22.99 21.0 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.724 -1.235 . . . . 0.0 109.558 179.45 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 165.24 -63.35 0.23 Allowed Glycine 0 N--CA 1.491 2.326 0 C-N-CA 119.392 -1.385 . . . . 0.0 110.508 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.408 ' CD ' ' N ' ' A' ' 21' ' ' LYS . 2.8 mmtp -48.7 131.54 17.9 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.052 -1.264 . . . . 0.0 109.255 -179.077 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 -93.75 -14.71 25.95 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.117 -0.989 . . . . 0.0 109.894 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 73.0 t -117.19 148.07 20.16 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.138 0 O-C-N 121.454 -0.778 . . . . 0.0 110.179 -179.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.19 152.53 33.44 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 179.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.0 p -128.89 157.77 40.63 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.286 -0.884 . . . . 0.0 110.019 -179.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.9 t . . . . . 0 N--CA 1.499 2.002 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 178.774 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.482 ' CD ' ' N ' ' A' ' 34' ' ' GLU . 2.9 mp0 . . . . . 0 N--CA 1.497 1.921 0 CA-C-O 121.9 0.857 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -140.23 135.27 32.18 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 178.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 38' ' ' THR . 6.4 p -118.74 153.79 33.84 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.418 -0.801 . . . . 0.0 109.308 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.13 -18.58 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.401 -0.812 . . . . 0.0 110.652 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.463 ' N ' ' O ' ' A' ' 36' ' ' THR . 6.2 m -69.25 -23.75 63.9 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.816 -1.178 . . . . 0.0 110.53 -179.233 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.453 ' C ' ' H ' ' A' ' 41' ' ' SER . 90.4 p -112.71 16.65 19.56 Favored 'General case' 0 N--CA 1.503 2.216 0 O-C-N 121.115 -0.99 . . . . 0.0 110.07 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.7 p -50.5 -12.43 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.017 -1.052 . . . . 0.0 109.672 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.453 ' H ' ' C ' ' A' ' 39' ' ' SER . 42.8 t -85.27 -52.98 5.53 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.898 -1.126 . . . . 0.0 110.541 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.543 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 30.4 p-10 -59.86 -24.22 64.05 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.795 -1.191 . . . . 0.0 109.408 -179.311 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.543 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 8.5 tp -73.82 -42.61 60.67 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 178.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 35.7 mttm -51.89 -30.7 25.13 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.116 -0.99 . . . . 0.0 108.611 179.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.7 mmtm -72.8 -45.19 59.81 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.295 -0.878 . . . . 0.0 109.562 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -57.13 -29.55 63.67 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.376 -0.828 . . . . 0.0 109.419 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.422 HG22 HD12 ' A' ' 47' ' ' ILE . 88.4 mt -79.07 -33.44 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.251 -0.906 . . . . 0.0 109.298 179.475 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.56 -41.63 62.7 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.215 -0.928 . . . . 0.0 109.984 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -64.08 -35.71 81.62 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.151 -0.968 . . . . 0.0 110.425 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 51.9 mt -70.04 -31.5 69.16 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 120.563 -1.335 . . . . 0.0 109.06 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -64.91 -29.43 70.37 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.945 -1.097 . . . . 0.0 109.431 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 78.8 t -82.58 -21.08 9.55 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 120.894 -1.129 . . . . 0.0 110.137 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 44.5 mm-40 -91.42 -8.48 47.74 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.838 -1.164 . . . . 0.0 109.206 -179.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.496 1.829 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.416 ' CD ' ' N ' ' A' ' 5' ' ' GLU . 13.2 mp0 . . . . . 0 N--CA 1.499 2.006 0 CA-C-O 121.168 0.509 . . . . 0.0 110.374 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.401 ' OE2' ' N ' ' A' ' 7' ' ' LEU . 1.7 pp20? -47.56 -37.01 11.42 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.115 -0.99 . . . . 0.0 109.868 -179.137 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.401 ' N ' ' OE2' ' A' ' 6' ' ' GLU . 13.2 tp -51.87 -53.98 34.42 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.031 -1.043 . . . . 0.0 108.59 179.206 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.07 -36.8 41.88 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.438 -0.789 . . . . 0.0 109.927 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.76 -38.57 83.61 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.085 -1.009 . . . . 0.0 109.995 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.79 -36.76 84.97 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.117 -0.989 . . . . 0.0 109.882 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 81.6 mtm180 -64.67 -34.33 78.05 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.105 -0.997 . . . . 0.0 109.265 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.68 -30.28 70.49 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.262 -0.899 . . . . 0.0 109.624 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.34 -37.62 80.7 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.257 -0.902 . . . . 0.0 109.397 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.2 tp -64.93 -35.97 82.86 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.204 -0.935 . . . . 0.0 108.97 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.461 ' O ' ' OG1' ' A' ' 19' ' ' THR . 52.8 t-80 -75.63 -41.29 54.59 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.135 -0.978 . . . . 0.0 110.591 -179.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -74.46 -37.95 63.09 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 120.802 -1.187 . . . . 0.0 111.177 -178.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 48.1 mt -67.62 -30.17 69.68 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.725 -1.235 . . . . 0.0 110.5 -179.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 4.3 tpt -103.4 -0.28 30.28 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 120.996 -1.065 . . . . 0.0 110.673 -179.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.461 ' OG1' ' O ' ' A' ' 15' ' ' HIS . 22.0 m -98.26 -23.66 15.56 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.698 -1.251 . . . . 0.0 109.885 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 170.19 -78.21 0.1 OUTLIER Glycine 0 N--CA 1.492 2.403 0 C-N-CA 119.544 -1.312 . . . . 0.0 109.935 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 61.9 mttt -46.89 104.55 0.05 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.239 -1.153 . . . . 0.0 109.284 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -71.15 -14.85 62.42 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.419 -0.8 . . . . 0.0 110.169 -179.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.2 t -106.34 148.2 10.99 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 O-C-N 121.286 -0.884 . . . . 0.0 110.694 -179.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.53 152.92 33.61 Favored 'General case' 0 N--CA 1.495 1.816 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 179.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.1 p -137.19 143.98 42.64 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.107 -0.996 . . . . 0.0 110.016 -179.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.4 m . . . . . 0 N--CA 1.497 1.923 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 178.241 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.526 ' H ' ' CD ' ' A' ' 34' ' ' GLU . 1.9 mp0 . . . . . 0 N--CA 1.497 1.924 0 CA-C-O 121.58 0.705 . . . . 0.0 110.221 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -140.48 135.36 31.87 Favored 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 38' ' ' THR . 7.0 p -119.34 154.68 33.19 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.499 -0.751 . . . . 0.0 109.228 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.05 -18.25 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.364 -0.835 . . . . 0.0 110.687 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.47 ' N ' ' O ' ' A' ' 36' ' ' THR . 5.9 m -67.02 -23.67 65.93 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 120.704 -1.248 . . . . 0.0 110.297 -179.36 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.526 ' O ' ' N ' ' A' ' 41' ' ' SER . 93.2 p -114.38 17.12 17.66 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 121.23 -0.919 . . . . 0.0 110.219 -179.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.8 p -48.92 -10.7 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 120.919 -1.113 . . . . 0.0 109.612 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.526 ' N ' ' O ' ' A' ' 39' ' ' SER . 47.7 t -84.67 -52.06 6.37 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.055 -1.028 . . . . 0.0 110.552 -179.51 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.549 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 33.3 p-10 -62.59 -27.73 69.39 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.819 -1.176 . . . . 0.0 109.942 -179.086 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.549 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 7.8 tp -73.56 -40.37 63.99 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.745 -1.222 . . . . 0.0 107.866 178.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.8 ttmm -52.29 -34.36 46.26 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.482 -0.761 . . . . 0.0 109.256 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.0 tttm -73.29 -45.57 54.81 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.329 -0.857 . . . . 0.0 109.571 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -52.31 -28.7 20.13 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.4 -0.812 . . . . 0.0 109.588 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.437 ' O ' ' OE2' ' A' ' 51' ' ' GLU . 84.4 mt -78.01 -39.46 25.47 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.223 -0.923 . . . . 0.0 109.38 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.33 -36.57 71.61 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.195 -0.941 . . . . 0.0 110.195 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -67.6 -33.71 75.55 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.16 -0.963 . . . . 0.0 110.582 -179.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 44.0 mt -71.79 -33.93 68.99 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 120.685 -1.259 . . . . 0.0 109.465 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.519 ' N ' ' OE1' ' A' ' 51' ' ' GLU . 0.2 OUTLIER -64.29 -29.76 70.84 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.715 -1.241 . . . . 0.0 108.686 179.315 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 74.8 t -82.5 -20.43 9.93 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 O-C-N 121.122 -0.986 . . . . 0.0 109.598 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -92.27 -8.41 45.33 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.115 -0.991 . . . . 0.0 109.258 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.497 1.883 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.471 ' CD ' ' N ' ' A' ' 5' ' ' GLU . 5.2 mp0 . . . . . 0 N--CA 1.502 2.148 0 CA-C-O 120.88 0.372 . . . . 0.0 111.242 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -64.56 -39.37 93.62 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.927 -1.108 . . . . 0.0 109.445 -178.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 14.0 tp -50.78 -54.42 23.64 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.417 -0.802 . . . . 0.0 108.906 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.79 -36.29 62.28 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.515 -0.741 . . . . 0.0 109.976 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.07 -31.31 70.86 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.213 -0.929 . . . . 0.0 110.0 -179.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.47 -39.79 70.68 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.029 -1.044 . . . . 0.0 109.768 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 78.5 mtm180 -61.21 -35.82 78.23 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.205 -0.934 . . . . 0.0 109.236 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.73 -40.92 97.93 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.452 -0.78 . . . . 0.0 109.576 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.56 -38.59 72.13 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.175 -0.953 . . . . 0.0 109.33 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 19.8 tp -62.98 -35.54 80.52 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.114 -0.991 . . . . 0.0 108.846 179.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.459 ' O ' ' OG1' ' A' ' 19' ' ' THR . 25.5 t-80 -75.54 -45.85 35.55 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.047 -1.033 . . . . 0.0 110.649 -179.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -70.55 -36.76 73.85 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 120.868 -1.145 . . . . 0.0 111.39 -178.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 40.4 mt -68.7 -31.12 69.98 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.698 -1.251 . . . . 0.0 110.452 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 6.3 tpt -103.31 -0.21 30.55 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 120.87 -1.144 . . . . 0.0 110.474 -179.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.459 ' OG1' ' O ' ' A' ' 15' ' ' HIS . 23.1 m -97.55 -23.6 15.94 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.768 -1.207 . . . . 0.0 109.815 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 169.96 -78.34 0.1 OUTLIER Glycine 0 N--CA 1.491 2.344 0 C-N-CA 119.566 -1.302 . . . . 0.0 109.945 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -46.86 105.44 0.07 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.252 -1.146 . . . . 0.0 109.48 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -71.34 -15.02 62.37 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.34 -0.85 . . . . 0.0 110.116 -179.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.9 t -106.82 146.79 12.81 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.023 0 O-C-N 121.295 -0.878 . . . . 0.0 110.62 -179.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -152.04 152.63 32.66 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 82.5 p -140.82 143.18 34.67 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.063 -1.023 . . . . 0.0 109.964 -179.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.9 m . . . . . 0 N--CA 1.499 1.981 0 O-C-N 121.294 -0.879 . . . . 0.0 108.655 178.895 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.515 ' H ' ' CD ' ' A' ' 34' ' ' GLU . 2.4 mp0 . . . . . 0 N--CA 1.497 1.912 0 CA-C-O 121.698 0.761 . . . . 0.0 110.609 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -140.2 134.66 31.46 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 179.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 38' ' ' THR . 7.5 p -119.18 154.88 32.62 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.422 -0.799 . . . . 0.0 109.433 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.06 -18.71 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.373 -0.829 . . . . 0.0 110.694 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 36' ' ' THR . 5.9 m -68.05 -23.56 64.98 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.807 -1.183 . . . . 0.0 110.378 -179.275 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.516 ' O ' ' N ' ' A' ' 41' ' ' SER . 94.1 p -114.27 16.42 17.94 Favored 'General case' 0 N--CA 1.503 2.18 0 O-C-N 121.208 -0.932 . . . . 0.0 110.182 -179.607 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.2 p -48.8 -11.62 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 120.929 -1.107 . . . . 0.0 109.525 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.518 ' HG ' ' H ' ' A' ' 42' ' ' ASP . 94.5 p -84.65 -52.67 5.92 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.95 -1.094 . . . . 0.0 110.678 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.545 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 38.1 p-10 -60.79 -25.48 66.58 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.824 -1.173 . . . . 0.0 109.698 -179.248 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.545 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 7.3 tp -73.27 -41.06 64.07 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 178.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.5 mttm -52.2 -31.66 32.83 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.157 -0.964 . . . . 0.0 108.516 179.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -73.28 -45.36 56.11 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.272 -0.892 . . . . 0.0 109.539 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -55.11 -29.02 56.76 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.34 -0.85 . . . . 0.0 109.633 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 86.9 mt -78.14 -35.02 19.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.229 -0.919 . . . . 0.0 109.305 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.92 -41.33 62.23 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.251 -0.906 . . . . 0.0 109.971 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 48.9 tt0 -63.33 -34.53 77.91 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.205 -0.935 . . . . 0.0 110.425 -179.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 57.0 mt -72.2 -31.92 66.31 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.612 -1.305 . . . . 0.0 109.158 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -63.05 -29.57 70.92 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.82 -1.175 . . . . 0.0 109.046 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 70.1 t -83.06 -20.94 9.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.083 -1.011 . . . . 0.0 109.852 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -91.7 -8.26 47.49 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.0 -1.063 . . . . 0.0 109.185 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.496 1.854 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 -179.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 . . . . . 0 N--CA 1.503 2.182 0 CA-C-O 120.954 0.407 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -56.82 -37.81 71.72 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 120.929 -1.107 . . . . 0.0 109.124 -179.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 17.5 tp -51.05 -54.1 27.76 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.353 -0.842 . . . . 0.0 108.925 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.05 -33.23 56.87 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.392 -0.818 . . . . 0.0 109.998 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.62 -32.77 70.23 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.169 -0.957 . . . . 0.0 110.036 -179.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.64 -42.57 70.7 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.159 -0.963 . . . . 0.0 109.914 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -59.0 -36.84 75.58 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.126 -0.984 . . . . 0.0 108.963 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.14 -40.52 96.23 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.46 -0.775 . . . . 0.0 109.416 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.09 -36.41 68.09 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.218 -0.926 . . . . 0.0 109.175 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 21.7 tp -65.11 -34.43 78.38 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.113 -0.992 . . . . 0.0 108.766 179.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.46 ' O ' ' OG1' ' A' ' 19' ' ' THR . 71.8 t60 -75.88 -40.2 54.97 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.2 -0.937 . . . . 0.0 110.868 -179.463 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -76.8 -32.34 57.57 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 120.8 -1.187 . . . . 0.0 111.666 -178.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 81.0 mt -76.58 -27.86 55.98 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.608 -1.308 . . . . 0.0 110.939 -178.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.448 ' O ' ' CG ' ' A' ' 18' ' ' MET . 20.0 ttm -102.54 0.76 34.03 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 120.885 -1.134 . . . . 0.0 110.409 -179.241 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.46 ' OG1' ' O ' ' A' ' 15' ' ' HIS . 29.6 m -100.55 -23.38 14.7 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.137 -0.977 . . . . 0.0 109.944 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 169.25 -75.52 0.11 Allowed Glycine 0 N--CA 1.494 2.514 0 C-N-CA 119.42 -1.371 . . . . 0.0 110.376 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 44.7 mttm -44.25 131.67 6.07 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.377 -1.072 . . . . 0.0 109.904 -179.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.16 -15.44 25.97 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.443 -0.786 . . . . 0.0 110.149 -179.256 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.1 p -114.11 146.19 18.97 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.293 0 O-C-N 121.404 -0.81 . . . . 0.0 110.868 -178.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.61 136.74 17.44 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.7 p -108.95 155.56 20.72 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.319 -0.863 . . . . 0.0 109.945 -179.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.6 t . . . . . 0 N--CA 1.499 1.996 0 O-C-N 121.26 -0.9 . . . . 0.0 108.915 178.757 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.472 ' CD ' ' N ' ' A' ' 34' ' ' GLU . 10.2 mp0 . . . . . 0 N--CA 1.496 1.865 0 CA-C-O 121.715 0.769 . . . . 0.0 110.555 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -140.71 136.47 32.62 Favored 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 38' ' ' THR . 9.4 p -117.87 152.77 34.73 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.421 -0.8 . . . . 0.0 109.297 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.94 -17.95 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.417 -0.802 . . . . 0.0 110.69 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 36' ' ' THR . 3.6 p -70.39 -23.66 62.8 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.729 -1.232 . . . . 0.0 110.236 -179.311 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.483 ' C ' ' H ' ' A' ' 41' ' ' SER . 90.8 p -111.83 16.45 20.42 Favored 'General case' 0 N--CA 1.503 2.189 0 O-C-N 121.061 -1.024 . . . . 0.0 109.993 -179.719 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.8 p -49.99 -11.87 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 121.062 -1.024 . . . . 0.0 109.521 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.483 ' H ' ' C ' ' A' ' 39' ' ' SER . 44.8 m -85.46 -52.86 5.56 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.058 -1.026 . . . . 0.0 110.64 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.546 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 35.6 p-10 -59.54 -23.88 63.23 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.723 -1.235 . . . . 0.0 109.361 -179.475 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.546 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 7.8 tp -74.99 -40.55 60.63 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 178.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 49.0 mttt -51.2 -36.82 43.33 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.128 -0.982 . . . . 0.0 108.805 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -73.92 -46.11 46.38 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.12 -0.988 . . . . 0.0 109.806 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -51.31 -26.4 7.43 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.17 -0.957 . . . . 0.0 108.901 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 92.2 mt -79.76 -35.15 16.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.325 -0.86 . . . . 0.0 109.087 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.74 -40.63 63.38 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.213 -0.93 . . . . 0.0 109.791 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -63.35 -35.17 79.52 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.166 -0.959 . . . . 0.0 110.374 -179.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 51.0 mt -71.11 -32.21 68.74 Favored 'General case' 0 N--CA 1.497 1.919 0 C-N-CA 118.54 -1.264 . . . . 0.0 108.954 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -62.81 -29.76 70.97 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.911 -1.118 . . . . 0.0 109.299 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 70.0 t -82.91 -21.76 9.03 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 120.932 -1.105 . . . . 0.0 109.985 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.6 mm100 -92.24 -8.09 46.32 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.972 -1.08 . . . . 0.0 109.271 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.497 1.886 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.47 ' CD ' ' N ' ' A' ' 5' ' ' GLU . 16.8 mp0 . . . . . 0 N--CA 1.501 2.083 0 CA-C-O 120.99 0.424 . . . . 0.0 111.125 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -60.88 -35.1 75.75 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.761 -1.212 . . . . 0.0 109.157 -179.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 14.5 tp -51.04 -54.07 28.01 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.83 -44.87 70.61 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.571 -0.706 . . . . 0.0 110.059 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.95 -35.04 77.27 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.156 -0.965 . . . . 0.0 110.021 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.81 -44.24 86.23 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.19 -0.944 . . . . 0.0 109.759 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -57.25 -33.68 67.84 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.193 -0.942 . . . . 0.0 109.187 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.05 -33.6 75.87 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.387 -0.82 . . . . 0.0 109.576 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.99 -31.91 73.26 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.191 -0.943 . . . . 0.0 109.349 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.8 tp -70.15 -37.35 75.21 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.192 -0.942 . . . . 0.0 109.114 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.459 ' O ' ' OG1' ' A' ' 19' ' ' THR . 60.6 m80 -76.58 -38.2 55.29 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.886 -1.134 . . . . 0.0 110.813 -179.534 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -75.82 -29.96 58.85 Favored 'General case' 0 C--N 1.296 -1.721 0 O-C-N 120.797 -1.189 . . . . 0.0 111.464 -178.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.4 mt -79.04 -29.12 43.38 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 120.727 -1.233 . . . . 0.0 111.019 -179.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 5.8 tpt -101.83 -0.13 34.69 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 120.808 -1.182 . . . . 0.0 110.273 -179.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.459 ' OG1' ' O ' ' A' ' 15' ' ' HIS . 20.1 m -95.25 -22.73 17.61 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.934 -1.104 . . . . 0.0 109.379 179.366 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 164.72 -63.98 0.23 Allowed Glycine 0 N--CA 1.493 2.443 0 C-N-CA 119.674 -1.251 . . . . 0.0 110.054 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.444 ' CD ' ' N ' ' A' ' 21' ' ' LYS . 4.0 mptp? -46.24 131.52 10.34 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.324 -1.103 . . . . 0.0 109.519 -179.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -94.0 -13.68 26.72 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.268 -0.895 . . . . 0.0 110.211 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.1 p -121.73 149.18 24.92 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.349 0 O-C-N 121.414 -0.804 . . . . 0.0 110.819 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -149.45 152.42 35.63 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 179.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.0 p -126.3 154.8 42.94 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.314 -0.866 . . . . 0.0 109.799 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 0 N--CA 1.5 2.027 0 O-C-N 121.257 -0.902 . . . . 0.0 108.927 179.017 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 . . . . . 0 N--CA 1.499 2.016 0 CA-C-O 121.683 0.754 . . . . 0.0 110.703 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -140.24 136.28 33.2 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 179.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 38' ' ' THR . 9.2 p -116.5 152.68 33.58 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.417 -0.802 . . . . 0.0 109.433 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.79 -18.66 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.401 -0.812 . . . . 0.0 110.585 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 36' ' ' THR . 6.7 m -70.13 -24.25 63.15 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.744 -1.223 . . . . 0.0 110.485 -179.249 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.449 ' C ' ' H ' ' A' ' 41' ' ' SER . 87.6 p -110.74 16.51 21.33 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.102 -0.998 . . . . 0.0 109.856 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.2 p -51.35 -12.08 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.096 -1.002 . . . . 0.0 109.679 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.449 ' H ' ' C ' ' A' ' 39' ' ' SER . 48.0 m -85.92 -53.15 5.28 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.93 -1.106 . . . . 0.0 110.465 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.557 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 28.4 p-10 -58.59 -24.69 61.44 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.945 -1.097 . . . . 0.0 109.354 -179.468 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.557 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 8.5 tp -75.16 -41.03 59.04 Favored 'General case' 0 N--CA 1.486 1.333 0 O-C-N 121.041 -1.037 . . . . 0.0 108.246 178.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -51.58 -34.61 37.83 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.222 -0.924 . . . . 0.0 109.243 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -74.78 -45.98 40.06 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.054 -1.029 . . . . 0.0 109.758 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -51.36 -26.28 7.45 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.18 -0.95 . . . . 0.0 108.878 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.421 ' O ' ' OE2' ' A' ' 51' ' ' GLU . 89.7 mt -80.36 -41.37 20.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.304 -0.873 . . . . 0.0 109.59 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.45 -36.24 73.81 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.095 -1.003 . . . . 0.0 110.134 -179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -68.3 -34.54 76.34 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.107 -0.996 . . . . 0.0 110.545 -179.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 49.5 mt -70.4 -33.08 70.96 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.541 -1.35 . . . . 0.0 109.416 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.529 ' N ' ' OE1' ' A' ' 51' ' ' GLU . 0.1 OUTLIER -65.53 -30.08 70.8 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.854 -1.154 . . . . 0.0 109.143 179.607 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 69.0 t -82.34 -20.33 10.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 120.982 -1.074 . . . . 0.0 109.894 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -92.12 -8.34 45.99 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.009 -1.057 . . . . 0.0 109.123 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.495 1.802 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 -179.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 . . . . . 0 N--CA 1.501 2.123 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -46.52 -32.59 3.46 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.151 -0.968 . . . . 0.0 109.713 -179.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.2 tp -56.71 -54.28 47.98 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.249 -0.907 . . . . 0.0 108.61 179.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.05 -33.64 26.41 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.513 -0.742 . . . . 0.0 110.064 -179.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.36 -37.18 77.5 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.108 -0.995 . . . . 0.0 110.064 -179.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.96 -38.87 89.67 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.086 -1.009 . . . . 0.0 109.987 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 83.3 mtm180 -63.24 -33.35 75.3 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.188 -0.945 . . . . 0.0 109.1 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.63 -36.62 84.85 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.407 -0.808 . . . . 0.0 109.66 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.17 -41.57 98.43 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.159 -0.963 . . . . 0.0 109.396 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 30.1 tp -63.22 -32.71 74.17 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.068 -1.02 . . . . 0.0 108.76 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.458 ' O ' ' OG1' ' A' ' 19' ' ' THR . 26.6 t60 -75.46 -41.37 55.79 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.223 -0.923 . . . . 0.0 110.631 -179.538 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -76.41 -39.46 53.52 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 121.015 -1.053 . . . . 0.0 111.346 -178.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 59.3 mt -67.76 -29.47 68.68 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.755 -1.216 . . . . 0.0 110.852 -178.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 25.9 ttm -102.23 -0.01 33.71 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 120.791 -1.193 . . . . 0.0 110.562 -178.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.458 ' OG1' ' O ' ' A' ' 15' ' ' HIS . 14.9 m -97.01 -23.09 16.44 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.011 -1.056 . . . . 0.0 109.57 179.525 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 167.52 -70.51 0.17 Allowed Glycine 0 N--CA 1.492 2.385 0 C-N-CA 119.539 -1.315 . . . . 0.0 110.216 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.6 mttm -45.94 132.01 9.39 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.23 -1.159 . . . . 0.0 109.69 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -93.13 -14.42 27.24 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.277 -0.889 . . . . 0.0 109.868 -179.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.5 p -115.57 147.12 19.18 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.372 0 CA-C-O 121.677 0.751 . . . . 0.0 110.898 -178.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.45 152.47 33.09 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 179.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 69.5 p -139.67 145.47 38.47 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.096 -1.003 . . . . 0.0 109.866 -179.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.498 1.933 0 O-C-N 121.252 -0.905 . . . . 0.0 108.766 178.91 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 . . . . . 0 N--CA 1.499 1.98 0 CA-C-O 121.516 0.674 . . . . 0.0 110.083 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -139.79 135.62 33.22 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.455 ' O ' ' N ' ' A' ' 38' ' ' THR . 8.9 p -118.27 152.84 34.98 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.532 -0.73 . . . . 0.0 109.339 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.98 -17.84 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.447 -0.783 . . . . 0.0 110.649 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.455 ' N ' ' O ' ' A' ' 36' ' ' THR . 3.4 p -70.36 -23.89 62.88 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.725 -1.234 . . . . 0.0 110.358 -179.179 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.473 ' C ' ' H ' ' A' ' 41' ' ' SER . 90.0 p -111.84 16.15 20.54 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.026 -1.046 . . . . 0.0 109.877 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.3 p -50.13 -12.07 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.004 -1.06 . . . . 0.0 109.611 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.473 ' H ' ' C ' ' A' ' 39' ' ' SER . 42.0 t -84.89 -52.45 6.0 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.982 -1.074 . . . . 0.0 110.498 -179.755 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.554 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 35.3 p-10 -60.15 -24.72 64.94 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.833 -1.167 . . . . 0.0 109.624 -179.325 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.554 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 7.8 tp -74.61 -41.92 59.56 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 120.883 -1.136 . . . . 0.0 108.378 179.006 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.5 mtmt -51.66 -35.23 41.5 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.015 -1.053 . . . . 0.0 108.834 179.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -68.9 -45.22 71.48 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.176 -0.952 . . . . 0.0 109.559 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -54.94 -29.16 55.81 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.338 -0.851 . . . . 0.0 109.414 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.405 HG22 HD12 ' A' ' 47' ' ' ILE . 88.6 mt -78.53 -33.02 16.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.224 -0.922 . . . . 0.0 109.175 179.643 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.96 -44.48 54.73 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.229 -0.919 . . . . 0.0 109.941 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -61.11 -35.77 77.93 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.151 -0.968 . . . . 0.0 110.374 -179.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 54.5 mt -70.38 -31.94 69.4 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 120.681 -1.262 . . . . 0.0 109.242 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -63.03 -29.28 70.7 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.914 -1.116 . . . . 0.0 109.104 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 77.3 t -82.86 -20.43 9.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.06 -1.025 . . . . 0.0 110.01 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -91.26 -8.94 46.93 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.891 -1.13 . . . . 0.0 109.35 -179.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.496 1.853 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 . . . . . 0 N--CA 1.501 2.097 0 CA-C-O 121.146 0.498 . . . . 0.0 109.839 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -47.33 -32.87 5.15 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.184 -0.947 . . . . 0.0 109.966 -179.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 16.7 tp -57.92 -54.62 44.87 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.061 -1.024 . . . . 0.0 108.795 179.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.21 -30.6 50.46 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.499 -0.751 . . . . 0.0 110.29 -179.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.57 -29.64 63.72 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.105 -0.997 . . . . 0.0 110.046 -179.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.41 -42.06 59.84 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.04 -1.038 . . . . 0.0 109.718 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -59.81 -36.41 76.7 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.179 -0.951 . . . . 0.0 108.875 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.59 -40.25 96.47 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.437 -0.79 . . . . 0.0 109.405 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.3 -34.12 66.18 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.185 -0.947 . . . . 0.0 109.14 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.6 tp -68.0 -36.45 80.02 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.226 -0.921 . . . . 0.0 109.169 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.457 ' O ' ' OG1' ' A' ' 19' ' ' THR . 47.7 t60 -76.63 -36.63 57.29 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.017 -1.052 . . . . 0.0 110.715 -179.674 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -76.87 -31.64 56.93 Favored 'General case' 0 C--N 1.294 -1.844 0 O-C-N 121.027 -1.046 . . . . 0.0 111.455 -178.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 64.3 mt -79.23 -29.16 42.61 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 120.642 -1.286 . . . . 0.0 111.289 -179.035 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.499 ' O ' ' SD ' ' A' ' 18' ' ' MET . 25.2 tpp -101.93 -3.92 27.03 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 120.829 -1.169 . . . . 0.0 110.395 -178.461 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.457 ' OG1' ' O ' ' A' ' 15' ' ' HIS . 20.2 m -89.9 -23.0 21.73 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.642 -1.286 . . . . 0.0 109.461 179.324 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 161.03 -52.45 0.34 Allowed Glycine 0 N--CA 1.491 2.322 0 C-N-CA 119.47 -1.347 . . . . 0.0 110.495 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.4 mmtm -51.0 135.46 24.73 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.051 -1.264 . . . . 0.0 109.226 -179.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 38.2 mtp180 -93.7 -13.23 27.72 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.232 -0.918 . . . . 0.0 110.793 -179.175 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.9 p -129.65 151.65 36.14 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.376 0 O-C-N 121.189 -0.944 . . . . 0.0 110.943 -178.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -148.49 152.23 36.52 Favored 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.4 p -125.05 155.6 39.52 Favored 'General case' 0 N--CA 1.503 2.181 0 O-C-N 121.309 -0.869 . . . . 0.0 109.796 -179.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.8 t . . . . . 0 N--CA 1.498 1.959 0 O-C-N 121.293 -0.879 . . . . 0.0 108.904 179.071 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 . . . . . 0 N--CA 1.498 1.953 0 CA-C-O 121.696 0.76 . . . . 0.0 110.651 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -140.28 136.35 33.2 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 179.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 38' ' ' THR . 10.0 p -117.51 152.69 34.55 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.452 -0.78 . . . . 0.0 109.459 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.27 -18.36 0.05 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.421 -0.799 . . . . 0.0 110.663 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.434 ' N ' ' O ' ' A' ' 36' ' ' THR . 4.3 p -72.31 -23.29 61.15 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.75 -1.219 . . . . 0.0 110.224 -179.289 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.441 ' C ' ' H ' ' A' ' 41' ' ' SER . 93.6 p -110.42 16.99 21.27 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 121.114 -0.991 . . . . 0.0 109.769 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.1 p -52.26 -11.72 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.298 -0.876 . . . . 0.0 109.592 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.441 ' H ' ' C ' ' A' ' 39' ' ' SER . 48.3 t -84.79 -53.31 5.43 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.962 -1.086 . . . . 0.0 110.776 -179.492 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.524 ' OD1' ' N ' ' A' ' 42' ' ' ASP . 0.0 OUTLIER -60.01 -23.36 63.6 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.759 -1.213 . . . . 0.0 109.024 -179.219 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.3 tp -75.13 -40.53 59.69 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 120.819 -1.175 . . . . 0.0 108.116 178.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttt -51.22 -36.77 43.28 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.088 -1.007 . . . . 0.0 108.751 179.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -71.25 -45.58 62.9 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.143 -0.973 . . . . 0.0 110.329 -179.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -55.08 -27.63 46.38 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.196 -0.94 . . . . 0.0 109.634 -179.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 85.1 mt -78.82 -32.47 15.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.067 -1.021 . . . . 0.0 108.875 179.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.84 -48.35 38.45 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.349 -0.845 . . . . 0.0 110.324 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -58.73 -42.43 88.74 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.949 -1.094 . . . . 0.0 110.216 -179.064 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 38.2 mt -62.23 -32.44 73.12 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 120.731 -1.231 . . . . 0.0 109.197 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -63.74 -29.97 71.12 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.856 -1.153 . . . . 0.0 109.345 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 70.2 t -83.31 -20.79 9.11 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 120.947 -1.096 . . . . 0.0 109.751 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -89.93 -8.8 50.93 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.03 -1.044 . . . . 0.0 108.814 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.495 1.778 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.47 ' CD ' ' N ' ' A' ' 5' ' ' GLU . 15.4 mp0 . . . . . 0 N--CA 1.5 2.044 0 CA-C-O 121.222 0.534 . . . . 0.0 110.388 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -47.52 -32.68 5.52 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.21 -0.931 . . . . 0.0 109.904 -179.255 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 16.5 tp -55.96 -50.96 69.35 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.122 -0.986 . . . . 0.0 108.684 179.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.46 -39.58 70.55 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.63 -0.669 . . . . 0.0 110.841 -178.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.34 -28.61 62.15 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.045 -1.034 . . . . 0.0 111.265 -178.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.17 -51.03 50.47 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.922 -1.111 . . . . 0.0 110.676 -178.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.4 ptt180 -60.81 -35.79 77.4 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 120.872 -1.143 . . . . 0.0 108.691 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.43 -34.34 68.85 Favored 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 179.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.34 -41.87 98.93 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 179.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 22.5 tp -56.48 -34.78 67.24 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.152 -0.967 . . . . 0.0 108.893 179.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.45 ' O ' ' OG1' ' A' ' 19' ' ' THR . 83.5 t60 -76.63 -38.44 54.69 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.16 -0.962 . . . . 0.0 110.873 -179.291 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -76.9 -30.96 56.39 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 120.91 -1.119 . . . . 0.0 111.496 -178.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 75.5 mt -78.49 -29.14 46.54 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 120.726 -1.234 . . . . 0.0 110.955 -179.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.443 ' O ' ' CG ' ' A' ' 18' ' ' MET . 21.7 ttm -102.67 0.18 32.74 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 120.93 -1.106 . . . . 0.0 110.596 -178.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.45 ' OG1' ' O ' ' A' ' 15' ' ' HIS . 14.4 m -92.88 -23.61 18.73 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.898 -1.126 . . . . 0.0 109.489 179.592 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 171.58 -79.18 0.09 OUTLIER Glycine 0 N--CA 1.491 2.345 0 C-N-CA 119.608 -1.282 . . . . 0.0 110.061 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.3 mtpt -48.48 138.06 10.78 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.211 -1.17 . . . . 0.0 109.392 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 65.0 mtm180 -93.14 -13.84 27.95 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.256 -0.902 . . . . 0.0 110.249 -179.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 42.5 t -109.2 151.01 11.63 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.196 0 O-C-N 121.231 -0.918 . . . . 0.0 111.092 -178.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.36 152.38 33.05 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 107.845 -1.168 . . . . 0.0 107.845 178.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 17.7 p -122.19 149.19 43.98 Favored 'General case' 0 N--CA 1.505 2.302 0 O-C-N 121.136 -0.977 . . . . 0.0 110.828 -178.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.4 t . . . . . 0 N--CA 1.498 1.949 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 178.951 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 . . . . . 0 N--CA 1.501 2.114 0 CA-C-O 121.732 0.777 . . . . 0.0 110.613 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -138.93 136.66 35.69 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 38' ' ' THR . 5.6 p -118.17 153.52 33.7 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.46 -0.775 . . . . 0.0 109.069 179.525 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.3 -18.98 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.328 -0.857 . . . . 0.0 110.779 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 36' ' ' THR . 5.5 m -69.46 -23.44 63.66 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.772 -1.205 . . . . 0.0 110.461 -179.155 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.412 ' C ' ' H ' ' A' ' 41' ' ' SER . 88.1 p -111.14 17.16 20.61 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.189 -0.944 . . . . 0.0 109.967 -179.739 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.5 p -52.67 -12.4 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 121.256 -0.903 . . . . 0.0 109.871 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.412 ' H ' ' C ' ' A' ' 39' ' ' SER . 40.9 t -85.09 -53.02 5.54 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.896 -1.127 . . . . 0.0 110.738 -179.632 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' A' ' 42' ' ' ASP . 0.0 OUTLIER -61.27 -23.57 65.76 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.904 -1.122 . . . . 0.0 109.044 -179.294 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.8 tp -74.21 -43.17 58.19 Favored 'General case' 0 N--CA 1.486 1.33 0 O-C-N 120.769 -1.207 . . . . 0.0 108.244 179.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 25.4 mttp -51.86 -35.01 43.43 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.102 -0.999 . . . . 0.0 109.288 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -74.96 -30.73 61.29 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.055 -1.028 . . . . 0.0 110.082 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -66.53 -28.76 68.8 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.299 -0.875 . . . . 0.0 109.629 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 97.1 mt -79.98 -35.14 15.78 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 121.157 -0.964 . . . . 0.0 109.146 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.54 -44.4 57.62 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.319 -0.863 . . . . 0.0 109.924 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -61.85 -34.46 76.01 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.148 -0.97 . . . . 0.0 110.451 -179.181 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 46.3 mt -70.7 -33.02 70.45 Favored 'General case' 0 N--CA 1.5 2.046 0 C-N-CA 118.599 -1.24 . . . . 0.0 109.389 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -63.13 -29.86 71.13 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.74 -1.225 . . . . 0.0 108.759 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 72.4 t -83.01 -20.48 9.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.085 -1.009 . . . . 0.0 109.78 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -92.75 -8.68 43.11 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.042 -1.036 . . . . 0.0 109.607 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.496 1.873 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 -179.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.461 ' CD ' ' N ' ' A' ' 5' ' ' GLU . 2.0 mp0 . . . . . 0 N--CA 1.502 2.131 0 CA-C-O 121.008 0.432 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -66.91 -38.27 85.92 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.013 -1.055 . . . . 0.0 109.451 -179.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 tt -51.16 -54.76 22.38 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.265 -0.897 . . . . 0.0 108.655 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.95 -39.95 63.31 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.481 -0.762 . . . . 0.0 110.107 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.88 -41.66 91.31 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.15 -0.969 . . . . 0.0 110.055 -179.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.12 -37.72 77.88 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.119 -0.988 . . . . 0.0 109.989 -179.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 44.8 mtp180 -63.04 -39.54 95.03 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.073 -1.017 . . . . 0.0 109.073 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.82 -32.21 69.17 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.415 -0.803 . . . . 0.0 109.579 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.35 -38.45 84.85 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.207 -0.933 . . . . 0.0 109.376 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 36.5 tp -60.16 -32.95 71.53 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.078 -1.014 . . . . 0.0 109.146 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.453 ' O ' ' OG1' ' A' ' 19' ' ' THR . 41.4 t60 -76.99 -39.2 51.31 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.204 -0.935 . . . . 0.0 110.835 -179.556 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.411 ' O ' ' O ' ' A' ' 21' ' ' LYS . 27.8 t70 -76.04 -31.51 58.87 Favored 'General case' 0 C--N 1.296 -1.749 0 O-C-N 120.881 -1.137 . . . . 0.0 111.419 -178.116 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 90.7 mt -78.54 -28.39 46.08 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.78 -1.2 . . . . 0.0 111.186 -178.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 26.1 ttm -104.24 -4.56 22.86 Favored 'General case' 0 N--CA 1.505 2.298 0 O-C-N 120.744 -1.223 . . . . 0.0 111.189 -178.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.453 ' OG1' ' O ' ' A' ' 15' ' ' HIS . 55.3 m -92.19 -23.2 19.45 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.727 -1.233 . . . . 0.0 110.026 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 164.79 -73.45 0.18 Allowed Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.481 -1.448 . . . . 0.0 109.481 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' A' ' 16' ' ' ASP . 18.7 ttmt -47.14 127.66 10.71 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.271 -1.135 . . . . 0.0 108.819 179.622 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 -93.19 -14.45 27.11 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.254 -0.904 . . . . 0.0 111.134 -178.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.7 t -107.88 144.7 16.15 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.34 0 O-C-N 121.002 -1.061 . . . . 0.0 111.247 -178.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -150.93 152.67 33.94 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 179.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 40.3 p -126.32 153.46 44.83 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.387 -0.821 . . . . 0.0 109.631 -179.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.9 t . . . . . 0 N--CA 1.5 2.05 0 O-C-N 121.163 -0.96 . . . . 0.0 108.984 179.112 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 . . . . . 0 N--CA 1.5 2.029 0 CA-C-O 121.659 0.742 . . . . 0.0 110.334 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -141.13 135.64 31.08 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 38' ' ' THR . 4.6 p -119.84 154.17 34.7 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.524 -0.735 . . . . 0.0 109.156 179.461 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -44.88 -18.45 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.267 -0.895 . . . . 0.0 110.748 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.471 ' N ' ' O ' ' A' ' 36' ' ' THR . 5.8 m -67.06 -23.1 65.84 Favored 'General case' 0 N--CA 1.486 1.347 0 O-C-N 120.746 -1.221 . . . . 0.0 110.198 -179.389 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.49 ' C ' ' H ' ' A' ' 41' ' ' SER . 92.9 p -114.07 16.98 18.06 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.175 -0.953 . . . . 0.0 110.589 -179.515 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.8 p -51.46 -10.92 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 120.981 -1.074 . . . . 0.0 109.358 179.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.49 ' H ' ' C ' ' A' ' 39' ' ' SER . 45.1 t -85.54 -52.54 5.76 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.064 -1.023 . . . . 0.0 110.893 -179.424 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' A' ' 42' ' ' ASP . 0.0 OUTLIER -64.63 -24.55 67.62 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.794 -1.191 . . . . 0.0 109.321 -179.102 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.1 tp -73.83 -44.11 56.7 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 120.653 -1.28 . . . . 0.0 107.725 178.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -51.69 -31.09 24.6 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 52.4 tttm -76.05 -39.77 54.77 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.454 -0.779 . . . . 0.0 109.755 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -60.66 -29.48 69.31 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.353 -0.842 . . . . 0.0 109.644 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 90.0 mt -77.94 -39.47 25.76 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.155 -0.966 . . . . 0.0 109.414 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.18 -40.33 71.32 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.194 -0.941 . . . . 0.0 109.899 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -62.2 -33.51 74.69 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.159 -0.963 . . . . 0.0 110.225 -179.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 48.6 mt -70.8 -31.81 68.69 Favored 'General case' 0 N--CA 1.498 1.962 0 C-N-CA 118.412 -1.315 . . . . 0.0 108.641 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -63.21 -29.76 71.03 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.027 -1.046 . . . . 0.0 109.34 179.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 75.6 t -83.9 -20.79 8.79 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 120.986 -1.071 . . . . 0.0 110.613 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -92.38 -9.56 41.31 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.788 -1.195 . . . . 0.0 109.335 -179.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.495 1.815 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 . . . . . 0 N--CA 1.506 2.357 0 CA-C-O 120.807 0.337 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -70.38 -39.26 74.68 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.761 -1.212 . . . . 0.0 109.522 -178.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 15.5 tp -50.77 -53.93 27.68 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.322 -0.861 . . . . 0.0 108.776 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.9 -42.71 69.02 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.469 -0.77 . . . . 0.0 109.975 -179.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.29 -34.3 77.38 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.205 -0.934 . . . . 0.0 110.021 -179.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.68 -43.02 81.13 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.056 -1.028 . . . . 0.0 109.823 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 57.6 mtp180 -58.52 -38.23 77.3 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.156 -0.965 . . . . 0.0 109.095 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.33 -37.6 81.13 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.463 -0.773 . . . . 0.0 109.407 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.57 -38.25 80.65 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.229 -0.919 . . . . 0.0 109.241 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.1 tp -64.47 -34.1 77.43 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.192 -0.943 . . . . 0.0 108.821 179.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.455 ' O ' ' OG1' ' A' ' 19' ' ' THR . 37.0 t60 -76.12 -40.43 52.86 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.263 -0.898 . . . . 0.0 110.715 -179.599 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -76.75 -31.16 56.89 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 120.87 -1.144 . . . . 0.0 111.595 -178.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 75.7 mt -77.07 -28.24 54.6 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 120.61 -1.306 . . . . 0.0 110.894 -179.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.449 ' O ' ' CG ' ' A' ' 18' ' ' MET . 19.3 ttm -102.79 0.86 33.39 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.006 -1.059 . . . . 0.0 110.482 -179.164 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.455 ' OG1' ' O ' ' A' ' 15' ' ' HIS . 53.1 m -102.6 -24.07 13.81 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.141 -0.975 . . . . 0.0 110.184 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 171.84 -79.39 0.09 OUTLIER Glycine 0 N--CA 1.492 2.38 0 C-N-CA 119.413 -1.375 . . . . 0.0 110.352 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 66.4 mttt -46.1 107.36 0.1 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.201 -1.176 . . . . 0.0 109.656 -179.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.567 ' NH1' ' CB ' ' A' ' 37' ' ' ALA . 17.3 mmm180 -72.15 -14.85 61.93 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.425 -0.797 . . . . 0.0 110.065 -179.319 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 45.6 t -109.38 149.18 12.65 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.17 0 O-C-N 121.32 -0.862 . . . . 0.0 110.569 -179.106 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.65 152.42 32.8 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.9 p -125.38 154.68 41.52 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.385 -0.822 . . . . 0.0 109.774 -179.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.8 t . . . . . 0 N--CA 1.499 2.015 0 O-C-N 121.174 -0.954 . . . . 0.0 108.746 178.841 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.469 ' CD ' ' N ' ' A' ' 34' ' ' GLU . 3.1 mp0 . . . . . 0 N--CA 1.497 1.892 0 CA-C-O 121.682 0.754 . . . . 0.0 110.62 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -134.31 136.01 43.19 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 179.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.469 ' O ' ' N ' ' A' ' 38' ' ' THR . 7.2 p -118.09 153.66 33.39 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.451 -0.78 . . . . 0.0 109.297 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.567 ' CB ' ' NH1' ' A' ' 22' ' ' ARG . . . -45.21 -17.9 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.42 -0.8 . . . . 0.0 110.655 -179.697 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.469 ' N ' ' O ' ' A' ' 36' ' ' THR . 3.2 p -68.54 -23.74 64.55 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.751 -1.218 . . . . 0.0 110.109 -179.376 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.51 ' C ' ' H ' ' A' ' 41' ' ' SER . 89.1 p -113.03 16.36 19.35 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 121.161 -0.962 . . . . 0.0 110.172 -179.685 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.2 p -49.84 -11.38 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.775 0 O-C-N 120.88 -1.137 . . . . 0.0 109.385 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.646 ' HG ' ' H ' ' A' ' 42' ' ' ASP . 94.0 p -84.91 -52.92 5.66 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.03 -1.044 . . . . 0.0 110.621 -179.634 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.646 ' H ' ' HG ' ' A' ' 41' ' ' SER . 30.0 p-10 -61.41 -25.7 67.37 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.849 -1.157 . . . . 0.0 109.693 -179.209 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.54 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 7.9 tp -74.09 -40.37 62.79 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 178.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -51.65 -35.9 44.04 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.35 -0.844 . . . . 0.0 108.912 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -73.35 -45.59 54.2 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.175 -0.953 . . . . 0.0 109.88 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -52.16 -29.77 23.65 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.282 -0.886 . . . . 0.0 109.39 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.42 HG23 HD11 ' A' ' 47' ' ' ILE . 86.5 mt -77.47 -35.24 21.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.26 -0.9 . . . . 0.0 109.188 179.624 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.25 -42.59 62.35 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.21 -0.932 . . . . 0.0 110.0 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -61.16 -35.08 76.14 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.178 -0.951 . . . . 0.0 110.407 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 55.4 mt -71.55 -31.97 67.6 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.525 -1.359 . . . . 0.0 109.143 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -61.98 -29.74 70.45 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.852 -1.155 . . . . 0.0 108.936 179.306 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 69.9 t -83.19 -20.68 9.24 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.051 -1.031 . . . . 0.0 109.781 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -91.83 -7.98 47.9 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.144 -0.972 . . . . 0.0 109.282 -179.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.497 1.887 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 -179.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 . . . . . 0 N--CA 1.503 2.2 0 CA-C-O 120.95 0.405 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -57.68 -37.4 73.37 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.941 -1.1 . . . . 0.0 109.126 -179.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 14.3 tp -51.11 -54.23 27.01 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.465 -0.772 . . . . 0.0 108.937 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.02 -35.97 62.51 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.423 -0.798 . . . . 0.0 109.984 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.19 -28.9 67.67 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.154 -0.966 . . . . 0.0 110.009 -179.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.21 -43.52 64.36 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.059 -1.026 . . . . 0.0 109.795 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.466 HH11 ' HG2' ' A' ' 11' ' ' ARG . 14.9 mtt-85 -58.89 -32.45 69.51 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.111 -0.993 . . . . 0.0 108.875 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.68 -40.57 88.6 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.416 -0.803 . . . . 0.0 109.715 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.23 -34.15 70.11 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.118 -0.989 . . . . 0.0 109.438 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.9 tp -68.58 -34.34 75.63 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.131 -0.981 . . . . 0.0 108.95 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.462 ' O ' ' OG1' ' A' ' 19' ' ' THR . 64.1 m80 -76.89 -40.05 48.83 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.258 -0.901 . . . . 0.0 110.583 -179.574 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -76.15 -29.88 57.94 Favored 'General case' 0 C--N 1.295 -1.774 0 O-C-N 120.886 -1.134 . . . . 0.0 111.379 -178.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 50.8 mt -78.86 -29.6 44.62 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 120.636 -1.29 . . . . 0.0 110.933 -179.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.45 ' O ' ' CG ' ' A' ' 18' ' ' MET . 21.0 ttm -102.37 0.08 33.47 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 120.851 -1.156 . . . . 0.0 110.615 -178.683 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.462 ' OG1' ' O ' ' A' ' 15' ' ' HIS . 23.8 m -96.35 -22.7 17.03 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.033 -1.042 . . . . 0.0 109.551 179.544 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 166.8 -65.31 0.2 Allowed Glycine 0 N--CA 1.493 2.45 0 C-N-CA 119.675 -1.25 . . . . 0.0 110.006 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.446 ' CD ' ' N ' ' A' ' 21' ' ' LYS . 12.7 mptt -46.24 131.46 10.37 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.227 -1.16 . . . . 0.0 109.43 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -93.98 -13.58 26.85 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.335 -0.853 . . . . 0.0 110.221 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.2 p -121.61 147.77 25.4 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.356 0 O-C-N 121.391 -0.818 . . . . 0.0 111.047 -178.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -149.97 152.43 34.92 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 179.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 46.9 p -139.34 145.41 39.01 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.144 -0.972 . . . . 0.0 109.99 -179.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.8 m . . . . . 0 N--CA 1.498 1.937 0 O-C-N 121.25 -0.906 . . . . 0.0 108.683 178.731 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 . . . . . 0 N--CA 1.499 1.993 0 CA-C-O 121.554 0.692 . . . . 0.0 109.956 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -139.02 135.47 34.29 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 38' ' ' THR . 8.8 p -118.47 152.87 35.12 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.598 -0.689 . . . . 0.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.04 -18.56 0.05 Allowed 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.35 -0.844 . . . . 0.0 110.539 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.44 ' N ' ' O ' ' A' ' 36' ' ' THR . 6.8 m -70.89 -23.5 62.3 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.761 -1.212 . . . . 0.0 110.596 -179.097 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.495 ' C ' ' H ' ' A' ' 41' ' ' SER . 99.5 p -112.59 16.2 19.81 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.052 -1.03 . . . . 0.0 109.88 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.7 p -49.58 -11.69 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.123 -0.986 . . . . 0.0 109.472 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.495 ' H ' ' C ' ' A' ' 39' ' ' SER . 94.4 p -83.78 -52.58 6.28 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.041 -1.037 . . . . 0.0 110.626 -179.779 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.564 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 54.7 p30 -59.42 -24.32 63.38 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.829 -1.169 . . . . 0.0 109.646 -179.258 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.564 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 7.6 tp -74.76 -43.1 56.64 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 120.898 -1.126 . . . . 0.0 108.415 179.198 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.8 mttp -51.6 -34.67 38.31 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.002 -1.062 . . . . 0.0 109.011 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.5 mmpt? -69.72 -41.6 75.1 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.121 -0.987 . . . . 0.0 109.451 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -58.72 -27.35 64.8 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.357 -0.839 . . . . 0.0 109.503 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 91.4 mt -80.24 -32.64 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.203 -0.936 . . . . 0.0 108.84 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.25 -45.37 56.28 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.314 -0.866 . . . . 0.0 110.289 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -62.4 -42.41 99.41 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.078 -1.014 . . . . 0.0 110.395 -179.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 36.5 mt -61.91 -33.33 74.04 Favored 'General case' 0 N--CA 1.5 2.066 0 C-N-CA 118.702 -1.199 . . . . 0.0 109.438 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -65.51 -29.81 70.49 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.701 -1.25 . . . . 0.0 109.183 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 68.7 t -82.92 -20.28 9.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 120.997 -1.064 . . . . 0.0 109.579 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -91.63 -8.2 47.9 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.075 -1.016 . . . . 0.0 109.261 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.496 1.859 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 -179.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.441 ' CD ' ' N ' ' A' ' 5' ' ' GLU . 20.7 mp0 . . . . . 0 N--CA 1.5 2.072 0 CA-C-O 121.108 0.48 . . . . 0.0 110.27 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -46.86 -30.27 2.41 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.237 -0.915 . . . . 0.0 109.92 -179.11 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 14.3 tp -60.32 -54.35 46.71 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.112 -0.993 . . . . 0.0 108.999 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.28 -32.36 37.01 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.461 -0.774 . . . . 0.0 110.257 -179.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.17 -39.5 71.85 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.096 -1.002 . . . . 0.0 110.138 -179.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.77 -38.27 90.47 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.169 -0.957 . . . . 0.0 110.011 -179.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -63.53 -39.4 94.33 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.123 -0.986 . . . . 0.0 109.316 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.92 -33.71 72.24 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.289 -0.882 . . . . 0.0 109.586 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.79 -41.78 95.57 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.221 -0.924 . . . . 0.0 109.524 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 21.5 tp -58.77 -34.69 71.71 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.079 -1.013 . . . . 0.0 108.9 179.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.453 ' O ' ' OG1' ' A' ' 19' ' ' THR . 77.0 m80 -76.74 -49.99 14.67 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.005 -1.06 . . . . 0.0 110.738 -179.648 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -67.23 -28.09 67.77 Favored 'General case' 0 C--N 1.295 -1.773 0 C-N-CA 119.018 -1.073 . . . . 0.0 111.426 -177.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 32.0 mt -77.79 -31.73 52.04 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 120.548 -1.345 . . . . 0.0 110.316 -179.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 5.3 tpt -103.73 -0.35 29.51 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 120.982 -1.074 . . . . 0.0 110.213 -179.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.453 ' OG1' ' O ' ' A' ' 15' ' ' HIS . 51.3 m -96.62 -23.63 16.4 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.812 -1.18 . . . . 0.0 109.889 179.712 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 170.06 -78.4 0.1 OUTLIER Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.8 mtpm? -46.87 107.71 0.12 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.155 -1.203 . . . . 0.0 109.385 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 50.6 mtp180 -72.07 -15.22 62.01 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.363 -0.835 . . . . 0.0 110.266 -179.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 62.1 t -107.99 148.6 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.098 0 O-C-N 121.227 -0.921 . . . . 0.0 110.693 -178.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -152.11 152.88 32.9 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 179.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.8 m -140.96 140.17 34.36 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.019 -1.051 . . . . 0.0 110.178 -179.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.498 1.949 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.889 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 . . . . . 0 N--CA 1.496 1.838 0 CA-C-O 121.576 0.703 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -138.61 135.08 34.57 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 179.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.465 ' O ' ' N ' ' A' ' 38' ' ' THR . 6.9 p -119.51 153.62 35.07 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.508 -0.745 . . . . 0.0 109.214 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.51 -17.87 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.326 -0.859 . . . . 0.0 110.762 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.465 ' N ' ' O ' ' A' ' 36' ' ' THR . 3.3 p -68.51 -23.45 64.54 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.682 -1.261 . . . . 0.0 110.27 -179.421 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.523 ' O ' ' N ' ' A' ' 41' ' ' SER . 96.7 p -113.82 16.52 18.43 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 121.172 -0.955 . . . . 0.0 110.188 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.6 p -48.22 -11.96 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 121.035 -1.041 . . . . 0.0 109.692 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.523 ' N ' ' O ' ' A' ' 39' ' ' SER . 45.3 t -83.87 -52.7 6.15 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.879 -1.138 . . . . 0.0 110.762 -179.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.549 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 43.5 p-10 -61.14 -24.49 66.31 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.875 -1.14 . . . . 0.0 109.829 -179.237 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.549 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 8.2 tp -74.12 -42.86 59.37 Favored 'General case' 0 N--CA 1.486 1.333 0 O-C-N 120.819 -1.176 . . . . 0.0 108.398 179.076 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.3 mttp -51.65 -36.27 45.48 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.017 -1.052 . . . . 0.0 108.705 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.6 tttm -66.98 -45.09 78.73 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.316 -0.865 . . . . 0.0 109.489 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -55.7 -29.25 59.09 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.478 -0.764 . . . . 0.0 109.547 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 86.0 mt -78.95 -34.22 16.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.253 -0.904 . . . . 0.0 109.28 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.89 -37.27 64.74 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.219 -0.926 . . . . 0.0 110.083 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -68.16 -34.43 76.3 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.175 -0.953 . . . . 0.0 110.582 -179.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 60.3 mt -71.95 -31.98 66.84 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 120.627 -1.296 . . . . 0.0 109.38 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -67.3 -29.09 68.59 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.805 -1.184 . . . . 0.0 109.461 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 69.5 t -82.03 -20.78 10.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 120.964 -1.085 . . . . 0.0 109.992 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 19.9 mm100 -92.02 -8.28 46.45 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.084 -1.01 . . . . 0.0 109.082 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.496 1.834 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.401 ' N ' ' CD ' ' A' ' 5' ' ' GLU . 9.3 mp0 . . . . . 0 N--CA 1.498 1.951 0 CA-C-O 121.221 0.534 . . . . 0.0 109.777 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.416 ' OE2' ' N ' ' A' ' 7' ' ' LEU . 1.7 pp20? -49.12 -39.52 28.75 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.29 -0.881 . . . . 0.0 110.235 -179.58 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.416 ' N ' ' OE2' ' A' ' 6' ' ' GLU . 5.3 tt -51.56 -49.11 62.68 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.972 -1.08 . . . . 0.0 108.868 179.358 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.38 -37.12 69.65 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.465 -0.772 . . . . 0.0 110.61 -179.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.83 -34.3 60.11 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.885 -1.134 . . . . 0.0 111.002 -178.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.95 -49.13 77.34 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.964 -1.085 . . . . 0.0 110.501 -179.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 -62.73 -36.34 82.7 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 120.886 -1.134 . . . . 0.0 108.698 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.48 -30.24 60.23 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 178.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.39 -43.83 84.78 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 179.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.3 tp -51.9 -33.68 38.01 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.273 -0.892 . . . . 0.0 108.91 179.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.501 ' CD2' ' OG1' ' A' ' 19' ' ' THR . 39.0 t-80 -76.47 -51.25 12.13 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.121 -0.987 . . . . 0.0 110.962 -179.289 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -65.55 -28.57 69.26 Favored 'General case' 0 C--N 1.293 -1.849 0 O-C-N 120.941 -1.099 . . . . 0.0 111.473 -177.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.485 ' O ' ' NH2' ' A' ' 22' ' ' ARG . 41.1 mt -77.92 -32.22 51.51 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 120.575 -1.328 . . . . 0.0 110.483 -179.313 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 2.2 tpt -104.99 -5.31 21.09 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 120.848 -1.158 . . . . 0.0 110.571 -179.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.501 ' OG1' ' CD2' ' A' ' 15' ' ' HIS . 84.6 m -91.25 -23.38 20.2 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.64 -1.287 . . . . 0.0 110.153 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.527 ' O ' ' NE ' ' A' ' 22' ' ' ARG . . . 173.87 -79.3 0.08 OUTLIER Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.833 -1.307 . . . . 0.0 109.833 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 45.1 mttm -46.97 133.45 11.18 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.239 -1.153 . . . . 0.0 109.412 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.527 ' NE ' ' O ' ' A' ' 20' ' ' GLY . 3.6 mmp_? -92.56 -15.05 27.43 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.243 -0.91 . . . . 0.0 109.896 -179.58 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.6 t -110.74 149.48 13.57 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.012 0 O-C-N 121.39 -0.819 . . . . 0.0 110.56 -179.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.62 152.87 33.43 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 179.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 22.0 p -139.33 146.42 40.26 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.146 -0.971 . . . . 0.0 110.025 -179.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.4 m . . . . . 0 N--CA 1.498 1.941 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 178.813 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.494 ' H ' ' CD ' ' A' ' 34' ' ' GLU . 4.2 mp0 . . . . . 0 N--CA 1.497 1.924 0 CA-C-O 121.632 0.729 . . . . 0.0 110.294 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -140.68 134.82 30.93 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 179.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.461 ' O ' ' N ' ' A' ' 38' ' ' THR . 6.9 p -120.09 153.46 36.08 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.582 -0.699 . . . . 0.0 109.121 179.662 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.63 -17.84 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.251 -0.906 . . . . 0.0 110.665 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 36' ' ' THR . 3.0 p -68.13 -23.39 64.89 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.73 -1.231 . . . . 0.0 110.078 -179.398 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.523 ' O ' ' N ' ' A' ' 41' ' ' SER . 96.5 p -114.11 16.79 18.05 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.166 -0.959 . . . . 0.0 110.262 -179.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.2 p -49.03 -10.9 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 120.897 -1.127 . . . . 0.0 109.537 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.523 ' N ' ' O ' ' A' ' 39' ' ' SER . 47.7 t -83.85 -52.44 6.37 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.042 -1.036 . . . . 0.0 110.635 -179.663 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.552 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 41.9 p-10 -61.95 -26.54 68.26 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.795 -1.19 . . . . 0.0 109.971 -179.118 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.552 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 6.9 tp -73.75 -39.57 64.13 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 120.771 -1.206 . . . . 0.0 107.95 178.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -52.18 -36.35 51.51 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.479 -0.763 . . . . 0.0 108.954 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -75.5 -30.78 59.95 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.23 -0.919 . . . . 0.0 110.377 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -65.16 -30.5 71.42 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.062 -1.024 . . . . 0.0 109.968 -179.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 97.3 mt -80.47 -32.71 13.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 121.056 -1.028 . . . . 0.0 108.903 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.18 -42.02 60.54 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.325 -0.86 . . . . 0.0 109.912 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -64.48 -34.94 79.38 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.197 -0.939 . . . . 0.0 110.484 -179.081 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 55.1 mt -71.39 -32.51 68.52 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.71 -1.244 . . . . 0.0 109.492 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -64.73 -29.4 70.38 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.807 -1.183 . . . . 0.0 109.059 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 70.4 t -82.65 -20.32 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.153 -0.967 . . . . 0.0 110.331 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 -92.01 -9.37 43.11 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.752 -1.217 . . . . 0.0 109.261 -179.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.494 1.737 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.525 ' CD ' ' H ' ' A' ' 5' ' ' GLU . 12.3 mp0 . . . . . 0 N--CA 1.505 2.294 0 CA-C-O 120.915 0.388 . . . . 0.0 111.619 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -69.33 -40.41 77.6 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.699 -1.251 . . . . 0.0 109.888 -178.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.5 tp -51.22 -52.33 45.54 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.035 -1.041 . . . . 0.0 108.569 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.66 -40.92 63.33 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.397 -0.814 . . . . 0.0 109.821 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.64 -33.67 75.5 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.306 -0.871 . . . . 0.0 110.028 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.36 -41.62 76.31 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.056 -1.028 . . . . 0.0 110.067 -179.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 56.4 mtp180 -61.69 -35.76 78.93 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.058 -1.026 . . . . 0.0 109.004 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.4 ' O ' ' OD2' ' A' ' 16' ' ' ASP . . . -64.13 -33.5 75.91 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.526 -0.734 . . . . 0.0 109.5 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.65 -35.98 82.78 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.162 -0.961 . . . . 0.0 109.27 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.6 tp -65.04 -36.0 82.96 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.132 -0.98 . . . . 0.0 108.862 179.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.461 ' O ' ' OG1' ' A' ' 19' ' ' THR . 80.9 m80 -76.86 -48.7 17.61 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.966 -1.084 . . . . 0.0 110.596 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.4 ' OD2' ' O ' ' A' ' 12' ' ' ALA . 23.0 m-20 -66.48 -29.02 69.05 Favored 'General case' 0 C--N 1.292 -1.898 0 O-C-N 121.118 -0.989 . . . . 0.0 111.472 -177.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 35.3 mt -78.52 -32.27 47.94 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 120.582 -1.324 . . . . 0.0 110.415 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 6.5 tpt -103.85 -0.12 29.56 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.036 -1.04 . . . . 0.0 110.371 -178.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.461 ' OG1' ' O ' ' A' ' 15' ' ' HIS . 27.9 m -92.86 -23.82 18.68 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.838 -1.164 . . . . 0.0 109.709 179.637 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 175.94 -81.65 0.07 OUTLIER Glycine 0 N--CA 1.49 2.256 0 C-N-CA 119.558 -1.306 . . . . 0.0 110.117 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.1 mttp -49.97 137.68 16.6 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.254 -1.145 . . . . 0.0 109.206 -179.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 63.4 mtm180 -93.19 -14.65 26.86 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.377 -0.827 . . . . 0.0 110.268 -179.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 41.6 t -107.47 149.7 10.65 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.178 0 O-C-N 121.185 -0.947 . . . . 0.0 111.136 -178.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.7 153.05 33.61 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 178.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.6 p -136.61 144.05 43.89 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.12 -0.987 . . . . 0.0 110.314 -179.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.2 m . . . . . 0 N--CA 1.496 1.847 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 178.39 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 . . . . . 0 N--CA 1.499 1.976 0 CA-C-O 121.585 0.707 . . . . 0.0 110.523 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -137.91 135.21 35.88 Favored 'General case' 0 N--CA 1.496 1.825 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 179.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 38' ' ' THR . 7.7 p -118.87 153.93 33.74 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.506 -0.746 . . . . 0.0 109.443 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.69 -18.75 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.38 -0.825 . . . . 0.0 110.78 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 36' ' ' THR . 6.7 m -71.05 -22.4 62.13 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.714 -1.241 . . . . 0.0 110.626 -179.175 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.424 ' C ' ' H ' ' A' ' 41' ' ' SER . 86.9 p -114.37 17.71 17.33 Favored 'General case' 0 N--CA 1.505 2.283 0 O-C-N 121.177 -0.952 . . . . 0.0 109.911 -179.658 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.1 p -51.42 -12.0 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 121.346 -0.847 . . . . 0.0 110.04 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.424 ' H ' ' C ' ' A' ' 39' ' ' SER . 48.7 m -83.76 -52.88 6.03 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.766 -1.208 . . . . 0.0 110.827 -179.634 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' A' ' 42' ' ' ASP . 0.0 OUTLIER -59.28 -23.31 62.29 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.834 -1.166 . . . . 0.0 109.174 -179.306 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.1 tp -75.19 -40.79 59.02 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 120.793 -1.192 . . . . 0.0 108.001 178.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.2 mttm -51.39 -36.53 43.89 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.185 -0.947 . . . . 0.0 108.825 179.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -69.62 -45.39 68.64 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.122 -0.986 . . . . 0.0 109.652 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -53.83 -28.66 36.94 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.359 -0.838 . . . . 0.0 109.565 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.411 HG22 HD12 ' A' ' 47' ' ' ILE . 91.4 mt -78.22 -33.19 17.54 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.243 -0.911 . . . . 0.0 109.161 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.92 -41.9 61.42 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.262 -0.899 . . . . 0.0 109.992 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -64.19 -33.7 76.39 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.212 -0.93 . . . . 0.0 110.588 -178.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 59.3 mt -72.89 -32.55 65.45 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 120.703 -1.248 . . . . 0.0 109.477 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -63.83 -29.49 70.68 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.728 -1.233 . . . . 0.0 108.833 179.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 77.1 t -82.81 -20.5 9.62 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.147 -0.97 . . . . 0.0 109.738 179.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -92.47 -8.37 44.84 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.061 -1.024 . . . . 0.0 109.587 -179.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.496 1.874 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 -179.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 . . . . . 0 N--CA 1.501 2.084 0 CA-C-O 121.132 0.491 . . . . 0.0 109.896 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.542 ' CD ' ' H ' ' A' ' 6' ' ' GLU . 2.0 pm0 -47.47 -33.09 5.79 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.115 -0.99 . . . . 0.0 109.679 -179.197 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 14.0 tp -55.95 -54.56 43.26 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.159 -0.963 . . . . 0.0 108.692 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.97 -33.59 38.51 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.47 -0.769 . . . . 0.0 110.235 -179.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.5 -34.96 76.81 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.119 -0.988 . . . . 0.0 110.078 -179.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.88 -39.68 79.64 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.122 -0.986 . . . . 0.0 109.954 -179.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -63.07 -35.03 78.88 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.157 -0.964 . . . . 0.0 109.101 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.69 -35.04 79.74 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.423 -0.798 . . . . 0.0 109.654 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.35 -38.52 91.46 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.053 -1.03 . . . . 0.0 109.423 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.0 tp -65.1 -34.75 79.16 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.096 -1.002 . . . . 0.0 108.806 179.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.46 ' O ' ' OG1' ' A' ' 19' ' ' THR . 15.2 t-80 -76.21 -38.73 56.07 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.197 -0.94 . . . . 0.0 110.451 -179.748 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -77.26 -35.19 55.48 Favored 'General case' 0 C--N 1.296 -1.739 0 O-C-N 120.962 -1.087 . . . . 0.0 111.38 -178.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 53.8 mt -72.98 -29.41 63.03 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 120.724 -1.235 . . . . 0.0 110.702 -179.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.459 ' O ' ' CG ' ' A' ' 18' ' ' MET . 19.6 ttm -102.32 0.87 34.87 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 120.96 -1.087 . . . . 0.0 110.571 -178.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.46 ' OG1' ' O ' ' A' ' 15' ' ' HIS . 6.5 m -94.47 -23.96 17.51 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.904 -1.123 . . . . 0.0 109.492 179.502 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 172.62 -79.42 0.08 OUTLIER Glycine 0 N--CA 1.491 2.341 0 C-N-CA 119.512 -1.327 . . . . 0.0 110.255 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.1 mtpt -47.21 137.82 7.67 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.161 -1.2 . . . . 0.0 109.468 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.03 -15.49 26.1 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.363 -0.835 . . . . 0.0 110.02 -179.538 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.2 p -109.0 148.89 12.52 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.203 0 CA-C-O 121.872 0.844 . . . . 0.0 111.495 -177.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.92 153.45 34.14 Favored 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 179.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.5 m -138.46 144.45 40.09 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.096 -1.002 . . . . 0.0 110.14 -179.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.7 m . . . . . 0 N--CA 1.498 1.954 0 O-C-N 121.196 -0.94 . . . . 0.0 108.88 178.954 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 . . . . . 0 N--CA 1.496 1.855 0 CA-C-O 121.553 0.692 . . . . 0.0 110.081 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -136.27 136.02 39.47 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 38' ' ' THR . 8.3 p -118.16 152.73 35.08 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.587 -0.695 . . . . 0.0 109.225 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.96 -18.0 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.4 -0.813 . . . . 0.0 110.64 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 36' ' ' THR . 3.8 p -70.19 -23.65 62.99 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.668 -1.27 . . . . 0.0 110.352 -179.179 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.506 ' O ' ' N ' ' A' ' 41' ' ' SER . 94.2 p -112.32 16.12 20.1 Favored 'General case' 0 N--CA 1.503 2.214 0 O-C-N 121.181 -0.949 . . . . 0.0 109.872 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.0 p -48.95 -11.66 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.127 -0.983 . . . . 0.0 109.638 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.506 ' N ' ' O ' ' A' ' 39' ' ' SER . 47.7 t -84.45 -52.86 5.84 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.926 -1.109 . . . . 0.0 110.625 -179.728 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.556 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 46.2 p-10 -59.88 -24.71 64.49 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.87 -1.144 . . . . 0.0 109.639 -179.286 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.556 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 7.4 tp -74.64 -42.39 58.64 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.949 -1.095 . . . . 0.0 108.452 179.077 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.1 mttp -51.55 -34.44 36.65 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.061 -1.024 . . . . 0.0 108.926 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.581 ' HZ1' ' CB ' ' A' ' 45' ' ' LYS . 7.6 ttpm? -70.61 -44.16 67.84 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.118 -0.989 . . . . 0.0 109.555 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -55.16 -27.54 46.41 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.322 -0.861 . . . . 0.0 109.468 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 89.0 mt -79.37 -32.54 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.156 -0.965 . . . . 0.0 108.831 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.18 -48.21 37.19 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.378 -0.826 . . . . 0.0 110.275 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -58.87 -42.43 89.44 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.093 -1.004 . . . . 0.0 110.295 -179.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 41.6 mt -62.58 -32.37 73.34 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 120.723 -1.236 . . . . 0.0 109.254 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -64.14 -29.99 71.08 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.805 -1.184 . . . . 0.0 109.467 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 71.5 t -82.91 -20.79 9.37 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 O-C-N 120.907 -1.121 . . . . 0.0 110.068 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 48.0 mm-40 -92.47 -8.42 44.7 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.887 -1.133 . . . . 0.0 109.474 -179.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.496 1.833 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 -179.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 . . . . . 0 N--CA 1.502 2.139 0 CA-C-O 121.127 0.489 . . . . 0.0 109.949 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -47.15 -33.16 4.9 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.177 -0.952 . . . . 0.0 110.035 -179.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.9 tp -58.15 -54.6 45.12 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.163 -0.961 . . . . 0.0 108.995 179.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.49 -33.84 46.68 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.408 -0.807 . . . . 0.0 110.334 -179.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.75 -35.53 77.22 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.058 -1.026 . . . . 0.0 110.146 -179.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.68 -40.4 84.4 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.119 -0.988 . . . . 0.0 109.885 -179.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 66.9 mtm180 -60.92 -35.76 77.55 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.192 -0.942 . . . . 0.0 109.236 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.86 -39.29 93.98 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.403 -0.811 . . . . 0.0 109.621 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.75 -39.77 81.92 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.127 -0.983 . . . . 0.0 109.333 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.9 tp -61.49 -33.76 74.33 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.033 -1.042 . . . . 0.0 108.675 179.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.455 ' O ' ' OG1' ' A' ' 19' ' ' THR . 76.7 t60 -76.61 -40.9 48.02 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.269 -0.894 . . . . 0.0 110.775 -179.653 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -76.47 -31.08 57.57 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 120.947 -1.096 . . . . 0.0 111.471 -178.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 75.3 mt -77.65 -28.34 51.26 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 120.612 -1.305 . . . . 0.0 110.852 -178.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.437 ' O ' ' CG ' ' A' ' 18' ' ' MET . 21.3 ttm -102.7 0.06 32.47 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 120.841 -1.162 . . . . 0.0 110.516 -179.27 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.455 ' OG1' ' O ' ' A' ' 15' ' ' HIS . 21.2 m -96.94 -23.28 16.39 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.051 -1.031 . . . . 0.0 109.698 179.548 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 166.71 -73.2 0.16 Allowed Glycine 0 N--CA 1.492 2.386 0 C-N-CA 119.614 -1.279 . . . . 0.0 109.98 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.4 mmmt -44.93 129.88 7.34 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.304 -1.115 . . . . 0.0 109.226 -179.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.542 HH11 ' CG ' ' A' ' 22' ' ' ARG . 0.2 OUTLIER -92.92 -14.85 27.05 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.253 -0.905 . . . . 0.0 110.26 -179.289 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 98.1 t -113.01 147.98 16.28 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.155 0 O-C-N 121.262 -0.899 . . . . 0.0 110.487 -178.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.32 152.06 32.64 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 179.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.5 p -122.39 156.01 34.86 Favored 'General case' 0 N--CA 1.503 2.224 0 O-C-N 121.406 -0.809 . . . . 0.0 109.846 -179.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.9 t . . . . . 0 N--CA 1.499 1.98 0 O-C-N 121.257 -0.902 . . . . 0.0 108.933 179.099 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 . . . . . 0 N--CA 1.499 2.002 0 CA-C-O 121.799 0.809 . . . . 0.0 110.647 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -140.53 135.78 32.22 Favored 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 38' ' ' THR . 5.9 p -118.71 153.44 34.38 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.528 -0.733 . . . . 0.0 109.226 179.781 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.27 -18.01 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.324 -0.86 . . . . 0.0 110.761 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.463 ' N ' ' O ' ' A' ' 36' ' ' THR . 3.4 p -69.54 -23.49 63.58 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.727 -1.233 . . . . 0.0 110.194 -179.331 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.448 ' C ' ' H ' ' A' ' 41' ' ' SER . 91.3 p -112.71 16.74 19.53 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.212 -0.93 . . . . 0.0 110.099 -179.572 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.0 p -50.54 -12.77 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 121.002 -1.061 . . . . 0.0 109.638 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.448 ' H ' ' C ' ' A' ' 39' ' ' SER . 44.8 t -85.28 -52.89 5.58 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.918 -1.114 . . . . 0.0 110.581 -179.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.544 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 28.0 p-10 -60.08 -23.8 64.09 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.884 -1.135 . . . . 0.0 109.43 -179.389 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.544 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 8.9 tp -74.28 -42.18 60.01 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 120.941 -1.099 . . . . 0.0 108.113 179.027 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 38.5 mttm -51.52 -36.49 44.99 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.11 -0.994 . . . . 0.0 108.897 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -70.99 -45.75 63.47 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.108 -0.995 . . . . 0.0 109.91 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -53.82 -29.19 39.62 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.245 -0.909 . . . . 0.0 109.263 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.438 HG22 HD11 ' A' ' 47' ' ' ILE . 86.7 mt -78.87 -32.75 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.234 -0.916 . . . . 0.0 108.923 179.564 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.9 -38.67 64.28 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.336 -0.853 . . . . 0.0 109.915 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -66.82 -34.77 78.55 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.194 -0.941 . . . . 0.0 110.491 -179.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 47.7 mt -71.61 -32.11 67.65 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 120.718 -1.239 . . . . 0.0 109.427 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -66.35 -29.33 69.49 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.825 -1.172 . . . . 0.0 109.279 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 70.5 t -82.03 -20.88 10.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.003 -1.061 . . . . 0.0 109.825 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -91.49 -8.53 47.4 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.984 -1.072 . . . . 0.0 108.852 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.495 1.796 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.2 mmm . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.437 ' C ' ' H ' ' A' ' 4' ' ' GLN . 2.6 m -144.01 83.78 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 O-C-N 121.237 -0.914 . . . . 0.0 109.623 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.567 ' H ' ' HG1' ' A' ' 54' ' ' THR . 10.5 mpt_? -78.24 13.44 1.5 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.903 -1.123 . . . . 0.0 108.732 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.437 ' H ' ' C ' ' A' ' 2' ' ' VAL . 39.6 mt-30 -43.52 -38.75 3.06 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.543 -0.723 . . . . 0.0 110.897 -179.517 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.466 ' N ' ' CD ' ' A' ' 5' ' ' GLU . 17.3 mp0 -74.68 -75.4 0.16 Allowed 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.793 -1.192 . . . . 0.0 110.345 -179.187 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -47.3 -33.19 5.38 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.062 -1.024 . . . . 0.0 109.868 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.9 tp -56.12 -54.55 43.71 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.08 -1.012 . . . . 0.0 108.892 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.49 -31.15 44.67 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.469 -0.769 . . . . 0.0 110.252 -179.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.88 -37.77 73.05 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.095 -1.003 . . . . 0.0 110.163 -179.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.54 -41.85 92.58 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.092 -1.005 . . . . 0.0 109.858 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 72.0 mtm180 -58.76 -38.08 77.68 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.158 -0.964 . . . . 0.0 109.153 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.2 -39.74 87.6 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.416 -0.802 . . . . 0.0 109.615 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.23 -39.85 80.17 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.179 -0.951 . . . . 0.0 109.38 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 24.6 tp -61.14 -33.43 73.39 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.103 -0.998 . . . . 0.0 108.86 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.45 ' O ' ' OG1' ' A' ' 19' ' ' THR . 60.3 t-80 -75.68 -41.15 54.57 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.281 -0.887 . . . . 0.0 110.831 -179.431 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -76.27 -37.65 57.28 Favored 'General case' 0 C--N 1.297 -1.688 0 O-C-N 120.825 -1.172 . . . . 0.0 111.459 -178.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 72.5 mt -69.82 -29.11 66.31 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.672 -1.267 . . . . 0.0 110.908 -178.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.432 ' CG ' ' O ' ' A' ' 18' ' ' MET . 21.4 ttm -102.36 0.26 33.78 Favored 'General case' 0 N--CA 1.502 2.133 0 O-C-N 120.863 -1.148 . . . . 0.0 110.497 -179.177 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.45 ' OG1' ' O ' ' A' ' 15' ' ' HIS . 15.8 m -96.83 -23.19 16.49 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.063 -1.023 . . . . 0.0 109.596 179.577 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 165.67 -71.26 0.18 Allowed Glycine 0 N--CA 1.491 2.361 0 C-N-CA 119.562 -1.304 . . . . 0.0 110.083 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 42.3 mttp -45.69 130.39 9.12 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.264 -1.139 . . . . 0.0 109.672 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -92.48 -15.11 27.51 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.317 -0.864 . . . . 0.0 110.06 -179.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.4 p -111.57 145.34 17.89 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.289 0 O-C-N 121.485 -0.759 . . . . 0.0 110.55 -179.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.93 132.34 13.77 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 179.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.7 p -107.83 156.01 19.62 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.339 -0.85 . . . . 0.0 109.764 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.5 t -139.88 134.36 37.32 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 O-C-N 121.27 -0.894 . . . . 0.0 108.8 178.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -88.24 103.42 15.77 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.239 -0.913 . . . . 0.0 109.316 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.431 ' NZ ' ' CB ' ' A' ' 28' ' ' LYS . 5.9 mtmp? -130.94 121.11 24.58 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.482 -0.761 . . . . 0.0 108.958 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.528 ' O ' ' N ' ' A' ' 31' ' ' ARG . 3.2 m-20 53.06 57.25 6.5 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.313 -0.867 . . . . 0.0 109.934 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 47.4 11.03 0.07 OUTLIER Glycine 0 N--CA 1.491 2.353 0 N-CA-C 110.337 -1.105 . . . . 0.0 110.337 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.528 ' N ' ' O ' ' A' ' 29' ' ' ASP . 68.8 mtm180 -114.77 130.01 56.78 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.079 -1.248 . . . . 0.0 109.654 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -99.17 134.22 42.33 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 178.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 44.7 t -127.73 144.29 38.03 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.302 0 O-C-N 121.152 -0.967 . . . . 0.0 109.253 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.477 ' N ' ' CD ' ' A' ' 34' ' ' GLU . 3.1 mp0 -100.83 153.58 19.36 Favored 'General case' 0 N--CA 1.497 1.919 0 CA-C-O 121.793 0.806 . . . . 0.0 110.875 -178.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -141.21 136.32 31.63 Favored 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 38' ' ' THR . 9.3 p -117.87 153.03 34.22 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.461 -0.775 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.81 -18.75 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.412 -0.805 . . . . 0.0 110.604 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 36' ' ' THR . 6.4 m -69.51 -23.79 63.66 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 120.715 -1.24 . . . . 0.0 110.346 -179.341 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.464 ' C ' ' H ' ' A' ' 41' ' ' SER . 88.4 p -111.25 16.24 21.06 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.207 -0.933 . . . . 0.0 110.053 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.7 p -50.64 -12.45 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.06 -1.025 . . . . 0.0 109.353 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.519 ' HG ' ' N ' ' A' ' 42' ' ' ASP . 90.1 p -84.99 -52.85 5.69 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.958 -1.089 . . . . 0.0 110.608 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.542 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 28.6 p-10 -60.69 -23.82 65.15 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.852 -1.155 . . . . 0.0 109.437 -179.359 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.542 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 7.8 tp -74.0 -41.56 61.7 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 120.889 -1.132 . . . . 0.0 107.969 178.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 41.3 mttm -51.37 -37.16 46.67 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.109 -0.994 . . . . 0.0 108.798 179.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.4 ttmm -70.31 -45.86 65.41 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.159 -0.963 . . . . 0.0 109.809 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -53.09 -28.84 27.18 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.328 -0.858 . . . . 0.0 109.33 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.437 HG23 HD12 ' A' ' 47' ' ' ILE . 88.7 mt -79.51 -33.47 15.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.236 -0.915 . . . . 0.0 109.11 179.555 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.17 -37.04 64.1 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.306 -0.871 . . . . 0.0 109.949 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -68.37 -33.86 75.02 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.156 -0.965 . . . . 0.0 110.325 -179.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 48.7 mt -72.07 -32.27 66.9 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 120.719 -1.238 . . . . 0.0 109.232 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -66.54 -29.42 69.5 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.838 -1.164 . . . . 0.0 109.23 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 71.2 t -82.37 -20.47 10.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.054 -1.029 . . . . 0.0 109.662 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -92.01 -8.13 46.93 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.124 -0.985 . . . . 0.0 109.232 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.567 ' HG1' ' H ' ' A' ' 3' ' ' ARG . 0.6 OUTLIER -122.01 -16.53 7.51 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 -179.688 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -73.64 -168.84 16.59 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.272 -1.531 . . . . 0.0 109.272 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 12.4 mmt -139.03 63.11 1.52 Allowed 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.025 -1.279 . . . . 0.0 109.181 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.539 ' HG1' ' H ' ' A' ' 58' ' ' GLN . 12.4 t -153.9 -162.48 1.44 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.29 -0.881 . . . . 0.0 109.405 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.539 ' H ' ' HG1' ' A' ' 57' ' ' THR . 5.3 tp-100 -172.21 -27.0 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.563 -0.71 . . . . 0.0 109.344 178.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.624 HH21 ' NH2' ' A' ' 61' ' ' ARG . 49.9 mtp180 -56.49 -8.93 0.61 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.257 -0.902 . . . . 0.0 109.459 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.439 ' H ' ' C ' ' A' ' 58' ' ' GLN . 27.2 ttp180 68.77 -36.36 0.33 Allowed 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.542 -0.724 . . . . 0.0 109.845 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.624 ' NH2' HH21 ' A' ' 59' ' ' ARG . 86.2 mtm180 -72.61 -2.13 18.81 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.12 -0.987 . . . . 0.0 109.475 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.307 0 CA-C-O 117.971 -1.46 . . . . 0.0 109.518 179.954 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.706 ' H3 ' HH12 ' A' ' 3' ' ' ARG . 18.2 ptt? . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.509 ' C ' ' H ' ' A' ' 4' ' ' GLN . 2.3 m -143.83 85.85 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.256 -0.903 . . . . 0.0 109.235 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.706 HH12 ' H3 ' ' A' ' 1' ' ' MET . 10.3 mpt_? -70.89 12.12 0.31 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.881 -1.137 . . . . 0.0 109.369 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.509 ' H ' ' C ' ' A' ' 2' ' ' VAL . 83.3 mt-30 -43.54 -37.47 2.49 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.415 -0.803 . . . . 0.0 110.934 -179.632 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -76.87 -74.66 0.23 Allowed 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.773 -1.205 . . . . 0.0 109.772 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -46.98 -32.56 3.98 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.095 -1.003 . . . . 0.0 109.845 -179.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 14.0 tp -57.43 -54.55 45.56 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.101 -0.999 . . . . 0.0 108.866 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.19 -30.56 38.17 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.309 -0.869 . . . . 0.0 110.16 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.47 -35.65 70.91 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.157 -0.964 . . . . 0.0 110.107 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.84 -40.52 83.69 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.115 -0.991 . . . . 0.0 109.888 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.54 -35.08 76.74 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.098 -1.001 . . . . 0.0 109.069 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.12 -39.18 93.49 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.491 -0.756 . . . . 0.0 109.523 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.92 -39.45 78.02 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.159 -0.963 . . . . 0.0 109.191 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.7 tp -64.41 -33.53 76.07 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.129 -0.982 . . . . 0.0 108.738 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.459 ' O ' ' OG1' ' A' ' 19' ' ' THR . 83.0 t60 -75.86 -41.7 51.59 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.3 -0.875 . . . . 0.0 110.703 -179.448 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -75.92 -37.5 58.68 Favored 'General case' 0 C--N 1.296 -1.749 0 O-C-N 120.915 -1.115 . . . . 0.0 111.339 -178.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 51.4 mt -69.21 -29.7 67.72 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.765 -1.209 . . . . 0.0 110.732 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.451 ' CG ' ' O ' ' A' ' 18' ' ' MET . 21.3 ttm -103.0 0.12 31.67 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 120.98 -1.075 . . . . 0.0 110.83 -178.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.459 ' OG1' ' O ' ' A' ' 15' ' ' HIS . 18.4 m -97.61 -23.2 16.09 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.967 -1.083 . . . . 0.0 109.716 179.673 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 170.35 -72.8 0.12 Allowed Glycine 0 N--CA 1.492 2.403 0 C-N-CA 119.482 -1.342 . . . . 0.0 109.983 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -46.0 132.19 9.48 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.177 -1.19 . . . . 0.0 109.581 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.7 ptt180 -93.22 -14.63 26.84 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.297 -0.877 . . . . 0.0 110.125 -179.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 p -115.93 148.76 18.44 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.212 0 CA-C-O 121.79 0.805 . . . . 0.0 110.997 -178.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.22 152.83 33.83 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.6 m -139.83 144.93 37.55 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.144 -0.973 . . . . 0.0 109.981 -179.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.2 m -144.79 173.9 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 O-C-N 121.227 -0.921 . . . . 0.0 108.982 179.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -105.83 121.7 44.59 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.401 -0.812 . . . . 0.0 109.102 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -133.04 114.92 14.51 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.542 -0.724 . . . . 0.0 109.128 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.533 ' C ' ' H ' ' A' ' 31' ' ' ARG . 0.5 OUTLIER 53.55 58.12 5.47 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.282 -0.886 . . . . 0.0 109.928 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 49.67 7.07 0.09 OUTLIER Glycine 0 N--CA 1.492 2.395 0 N-CA-C 110.336 -1.105 . . . . 0.0 110.336 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.533 ' H ' ' C ' ' A' ' 29' ' ' ASP . 12.3 tpp180 -113.07 135.6 53.62 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.053 -1.263 . . . . 0.0 109.693 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -99.13 134.28 42.21 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.548 -0.72 . . . . 0.0 109.261 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 57.3 t -137.82 142.99 34.7 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.006 0 O-C-N 121.354 -0.841 . . . . 0.0 109.374 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -97.79 155.26 17.12 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.584 -0.697 . . . . 0.0 109.969 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -136.81 135.92 38.38 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 38' ' ' THR . 8.1 p -118.49 152.69 35.47 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.591 -0.693 . . . . 0.0 109.172 179.69 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.85 -18.63 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.359 -0.838 . . . . 0.0 110.723 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 36' ' ' THR . 6.4 m -69.96 -23.31 63.15 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.721 -1.237 . . . . 0.0 110.597 -179.167 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.502 ' O ' ' N ' ' A' ' 41' ' ' SER . 98.7 p -113.05 16.21 19.36 Favored 'General case' 0 N--CA 1.505 2.292 0 O-C-N 121.147 -0.97 . . . . 0.0 109.96 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.5 p -48.61 -12.11 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.082 -1.011 . . . . 0.0 109.694 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.502 ' N ' ' O ' ' A' ' 39' ' ' SER . 91.5 p -84.14 -52.76 6.01 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.931 -1.106 . . . . 0.0 110.635 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.561 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 52.3 p-10 -59.16 -24.26 62.89 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.864 -1.147 . . . . 0.0 109.496 -179.241 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.561 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 7.9 tp -74.4 -41.29 61.19 Favored 'General case' 0 N--CA 1.486 1.327 0 O-C-N 120.86 -1.15 . . . . 0.0 108.137 178.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.3 mttm -51.53 -35.8 42.19 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.13 -0.981 . . . . 0.0 108.822 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -71.35 -45.61 62.5 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.154 -0.966 . . . . 0.0 109.683 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -53.47 -28.95 33.31 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.193 -0.942 . . . . 0.0 109.376 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.425 HD11 HG23 ' A' ' 47' ' ' ILE . 84.8 mt -78.05 -32.76 17.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.223 -0.923 . . . . 0.0 109.132 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.89 -38.37 64.4 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.293 -0.879 . . . . 0.0 110.008 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -67.27 -33.95 76.4 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.204 -0.935 . . . . 0.0 110.531 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 49.8 mt -72.16 -32.06 66.51 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 120.678 -1.264 . . . . 0.0 109.365 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.407 ' O ' ' N ' ' A' ' 55' ' ' GLY . 30.7 mm-40 -66.83 -29.07 68.89 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.847 -1.158 . . . . 0.0 109.268 179.645 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 70.3 t -82.09 -20.65 10.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.025 -1.047 . . . . 0.0 109.958 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -91.12 -9.23 46.35 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.955 -1.09 . . . . 0.0 108.973 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -124.51 -20.16 5.22 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 51' ' ' GLU . . . -53.16 175.52 0.23 Allowed Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.701 -1.36 . . . . 0.0 109.701 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 47.2 mtt -155.39 67.5 0.65 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.096 -1.237 . . . . 0.0 109.082 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.9 t -62.5 -164.51 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.027 -1.045 . . . . 0.0 109.125 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -174.36 104.56 0.1 Allowed 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.64 -0.662 . . . . 0.0 109.291 178.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.551 ' CG ' HH11 ' A' ' 59' ' ' ARG . 0.3 OUTLIER -78.04 -22.86 48.54 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.159 -0.963 . . . . 0.0 109.468 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -162.77 172.38 15.32 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.214 -0.929 . . . . 0.0 109.144 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -59.0 -51.93 67.97 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.084 -1.01 . . . . 0.0 109.342 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.326 0 CA-C-O 117.982 -1.455 . . . . 0.0 109.545 179.986 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.563 ' H2 ' HH12 ' A' ' 3' ' ' ARG . 67.2 mtt . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.6 t -143.65 79.83 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.263 -0.898 . . . . 0.0 109.073 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.563 HH12 ' H2 ' ' A' ' 1' ' ' MET . 10.1 mpt_? -80.58 13.96 2.29 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.873 -1.142 . . . . 0.0 109.008 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -43.33 -40.73 3.73 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.59 -0.694 . . . . 0.0 110.927 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.404 ' CD ' ' N ' ' A' ' 5' ' ' GLU . 15.1 mp0 -73.67 -75.21 0.16 Allowed 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.798 -1.189 . . . . 0.0 110.283 -179.316 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.55 ' CD ' ' H ' ' A' ' 6' ' ' GLU . 2.0 pm0 -47.49 -35.48 8.83 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.154 -0.967 . . . . 0.0 109.703 -179.259 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 14.9 tp -53.04 -54.17 39.33 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.12 -0.987 . . . . 0.0 108.744 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.87 -34.52 54.87 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.577 -0.702 . . . . 0.0 110.249 -179.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.62 -34.6 77.3 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.157 -0.964 . . . . 0.0 110.241 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.99 -40.92 75.01 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.08 -1.013 . . . . 0.0 109.989 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 83.0 mtm180 -60.62 -31.44 70.62 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.048 -1.033 . . . . 0.0 108.947 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.92 -37.62 81.91 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.359 -0.838 . . . . 0.0 109.384 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.48 -32.5 71.49 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.155 -0.966 . . . . 0.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 25.8 tp -72.12 -34.34 68.5 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.226 -0.921 . . . . 0.0 109.179 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.461 ' O ' ' OG1' ' A' ' 19' ' ' THR . 68.1 m80 -76.98 -37.81 54.44 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.201 -0.937 . . . . 0.0 110.587 -179.591 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.78 -33.2 60.17 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 120.97 -1.081 . . . . 0.0 110.724 -178.225 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 76.5 mt -78.15 -29.13 48.52 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 120.62 -1.3 . . . . 0.0 111.494 -178.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.425 ' O ' ' CG ' ' A' ' 18' ' ' MET . 24.4 ttm -102.85 -2.27 28.2 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 120.846 -1.159 . . . . 0.0 110.913 -178.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.461 ' OG1' ' O ' ' A' ' 15' ' ' HIS . 24.0 m -91.9 -23.03 19.75 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.804 -1.185 . . . . 0.0 109.447 179.411 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 160.18 -51.56 0.36 Allowed Glycine 0 N--CA 1.49 2.274 0 C-N-CA 119.732 -1.223 . . . . 0.0 110.127 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.4 mmtm -49.43 135.26 18.04 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.056 -1.261 . . . . 0.0 109.229 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -93.35 -12.64 29.5 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.306 -0.872 . . . . 0.0 110.971 -178.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.8 p -132.96 149.86 32.26 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.319 0 O-C-N 121.117 -0.99 . . . . 0.0 111.154 -178.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -145.23 153.13 41.0 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 179.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.7 p -139.16 144.11 38.45 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.178 -0.951 . . . . 0.0 110.027 -179.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.8 m -147.57 167.45 5.07 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.956 0 O-C-N 121.14 -0.975 . . . . 0.0 109.035 178.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -102.94 118.37 36.68 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.437 -0.789 . . . . 0.0 108.906 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.9 mtmm -132.34 122.07 24.49 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.528 -0.732 . . . . 0.0 109.064 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.524 ' O ' ' N ' ' A' ' 31' ' ' ARG . 2.2 m-20 52.98 55.27 9.17 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.362 -0.836 . . . . 0.0 110.038 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 48.16 9.59 0.08 OUTLIER Glycine 0 N--CA 1.493 2.442 0 N-CA-C 110.315 -1.114 . . . . 0.0 110.315 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.524 ' N ' ' O ' ' A' ' 29' ' ' ASP . 97.6 mtt180 -113.89 132.15 56.02 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.143 -1.21 . . . . 0.0 109.99 -179.727 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -91.28 131.61 36.68 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 61.3 t -138.42 150.48 24.26 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.067 0 O-C-N 121.102 -0.999 . . . . 0.0 109.358 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -106.36 157.07 17.89 Favored 'General case' 0 N--CA 1.5 2.048 0 CA-C-O 121.478 0.656 . . . . 0.0 109.8 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -138.78 135.81 35.04 Favored 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 38' ' ' THR . 8.6 p -118.56 153.15 34.7 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.589 -0.694 . . . . 0.0 109.239 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.78 -18.38 0.04 OUTLIER 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.318 -0.864 . . . . 0.0 110.644 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 36' ' ' THR . 6.1 m -69.51 -23.63 63.63 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.778 -1.201 . . . . 0.0 110.601 -179.115 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 41' ' ' SER . 97.3 p -113.45 16.41 18.86 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 121.146 -0.971 . . . . 0.0 110.035 -179.684 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.7 p -49.57 -11.94 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 121.07 -1.019 . . . . 0.0 109.553 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 39' ' ' SER . 50.1 m -84.59 -52.67 5.94 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.949 -1.094 . . . . 0.0 110.586 -179.713 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.558 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 43.3 p-10 -59.66 -24.75 64.15 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.812 -1.18 . . . . 0.0 109.483 -179.316 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.558 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 7.3 tp -74.34 -41.25 61.39 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 120.933 -1.104 . . . . 0.0 108.182 178.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.1 mttm -51.32 -35.72 39.4 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.124 -0.985 . . . . 0.0 108.775 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -69.22 -42.77 75.26 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.195 -0.94 . . . . 0.0 109.587 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -57.71 -29.29 64.59 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.309 -0.869 . . . . 0.0 109.531 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.423 HD12 HG21 ' A' ' 47' ' ' ILE . 86.0 mt -79.37 -33.72 15.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.231 -0.918 . . . . 0.0 109.308 179.645 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.06 -38.96 63.79 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.225 -0.922 . . . . 0.0 109.997 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 67.6 tt0 -66.98 -34.2 77.23 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.206 -0.934 . . . . 0.0 110.583 -179.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 58.5 mt -72.33 -32.16 66.29 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.682 -1.262 . . . . 0.0 109.412 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -65.77 -29.18 69.65 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.749 -1.22 . . . . 0.0 109.157 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 69.8 t -82.07 -21.05 10.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.016 -1.053 . . . . 0.0 109.808 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -91.4 -8.51 47.69 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.065 -1.022 . . . . 0.0 108.846 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.424 ' O ' ' O ' ' A' ' 55' ' ' GLY . 0.7 OUTLIER -123.58 -22.86 4.89 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 -179.757 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 54' ' ' THR . . . -55.79 -168.46 0.07 OUTLIER Glycine 0 N--CA 1.489 2.217 0 N-CA-C 109.415 -1.474 . . . . 0.0 109.415 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.605 ' SD ' ' N ' ' A' ' 56' ' ' MET . 0.0 OUTLIER -159.87 46.13 0.25 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.802 -1.411 . . . . 0.0 109.559 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 15.0 t -88.3 -160.22 0.62 Allowed 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.257 -0.902 . . . . 0.0 109.173 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -172.37 -132.35 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.53 -0.731 . . . . 0.0 109.189 178.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -171.26 144.85 2.09 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.301 -0.874 . . . . 0.0 109.408 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 33.7 ttp180 -166.13 -127.72 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.247 -0.908 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -168.32 37.59 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.124 -0.985 . . . . 0.0 109.353 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.205 0 CA-C-O 118.02 -1.433 . . . . 0.0 109.544 -179.95 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.476 ' O ' ' CZ ' ' A' ' 3' ' ' ARG . 48.0 mtt . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.411 ' C ' ' H ' ' A' ' 4' ' ' GLN . 31.0 m -82.87 106.1 13.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.229 -0.919 . . . . 0.0 109.407 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.476 ' CZ ' ' O ' ' A' ' 1' ' ' MET . 1.1 mpp_? -82.48 29.25 0.44 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.7 -1.25 . . . . 0.0 108.902 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.411 ' H ' ' C ' ' A' ' 2' ' ' VAL . 13.5 mm100 -44.81 -41.7 7.22 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.324 -0.86 . . . . 0.0 110.249 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -72.63 -60.04 2.43 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.135 -0.978 . . . . 0.0 110.18 -179.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -56.28 -38.85 71.77 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.994 -1.066 . . . . 0.0 109.335 -179.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 14.2 tp -50.93 -54.61 22.7 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.454 -0.779 . . . . 0.0 109.07 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.54 -32.18 57.79 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.403 -0.81 . . . . 0.0 110.109 -179.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.16 -37.09 72.23 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.136 -0.978 . . . . 0.0 110.11 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.3 -42.04 93.46 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.159 -0.963 . . . . 0.0 109.702 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 -58.49 -39.03 78.88 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.168 -0.957 . . . . 0.0 109.156 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.39 -42.34 95.68 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.389 -0.819 . . . . 0.0 109.671 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.89 -37.9 66.89 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.195 -0.94 . . . . 0.0 109.25 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 25.4 tp -64.86 -33.6 76.39 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.139 -0.976 . . . . 0.0 108.757 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.459 ' O ' ' OG1' ' A' ' 19' ' ' THR . 15.8 t-80 -75.91 -41.36 52.15 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.266 -0.896 . . . . 0.0 110.723 -179.53 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -76.46 -36.46 57.89 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 120.916 -1.115 . . . . 0.0 111.506 -178.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 68.4 mt -71.24 -28.82 64.45 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.751 -1.218 . . . . 0.0 110.858 -178.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.442 ' O ' ' CG ' ' A' ' 18' ' ' MET . 20.8 ttm -101.99 0.58 35.41 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 120.913 -1.117 . . . . 0.0 110.354 -179.24 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.459 ' OG1' ' O ' ' A' ' 15' ' ' HIS . 16.6 m -97.95 -23.31 15.87 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.081 -1.012 . . . . 0.0 109.622 179.581 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 167.45 -71.9 0.16 Allowed Glycine 0 N--CA 1.492 2.381 0 C-N-CA 119.494 -1.336 . . . . 0.0 110.271 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -45.11 131.77 7.44 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.188 -1.183 . . . . 0.0 109.839 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -93.4 -15.08 26.04 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.375 -0.828 . . . . 0.0 110.243 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.2 p -115.18 145.62 20.68 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.253 0 O-C-N 121.403 -0.811 . . . . 0.0 110.902 -178.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.39 135.5 16.67 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 179.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.6 p -109.79 154.55 22.8 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.385 -0.822 . . . . 0.0 109.865 -179.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.5 t -141.44 134.64 30.28 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 O-C-N 121.185 -0.947 . . . . 0.0 108.769 178.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -86.76 104.56 16.25 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.231 -0.918 . . . . 0.0 109.079 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.6 mtmt -132.79 125.23 29.64 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.458 -0.776 . . . . 0.0 108.959 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.507 ' O ' ' N ' ' A' ' 31' ' ' ARG . 35.7 t0 52.06 57.44 6.48 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.4 -0.812 . . . . 0.0 109.893 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 44.27 17.68 0.08 OUTLIER Glycine 0 N--CA 1.494 2.542 0 N-CA-C 110.314 -1.114 . . . . 0.0 110.314 179.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.507 ' N ' ' O ' ' A' ' 29' ' ' ASP . 89.6 mtt180 -121.71 130.41 53.42 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.161 -1.2 . . . . 0.0 109.963 -179.666 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 46.4 mtp180 -95.39 133.93 38.78 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 178.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 42.0 t -130.06 145.89 34.94 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.229 0 O-C-N 121.155 -0.966 . . . . 0.0 109.517 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.478 ' CD ' ' N ' ' A' ' 34' ' ' GLU . 6.0 mp0 -103.4 154.58 19.26 Favored 'General case' 0 N--CA 1.498 1.954 0 CA-C-O 121.773 0.797 . . . . 0.0 110.701 -179.124 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -140.75 136.56 32.65 Favored 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.409 ' O ' ' N ' ' A' ' 38' ' ' THR . 10.5 p -117.51 153.39 33.25 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.463 -0.773 . . . . 0.0 109.591 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.34 -19.15 0.07 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.483 -0.761 . . . . 0.0 110.798 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 36' ' ' THR . 8.2 m -73.97 -22.06 59.77 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.742 -1.224 . . . . 0.0 110.479 -179.209 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.414 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 91.1 p -111.1 18.6 19.24 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.244 -0.91 . . . . 0.0 109.525 -179.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.0 p -56.91 -12.59 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.44 -0.788 . . . . 0.0 110.589 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.0 t -83.62 -53.31 5.75 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.614 -1.304 . . . . 0.0 110.634 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.465 ' OD1' ' N ' ' A' ' 42' ' ' ASP . 0.9 OUTLIER -57.73 -27.53 63.07 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.91 -1.118 . . . . 0.0 109.349 -179.597 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.2 tp -71.54 -41.46 69.12 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 120.996 -1.065 . . . . 0.0 108.25 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.1 mttm -51.65 -34.66 38.92 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.07 -1.019 . . . . 0.0 108.848 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt -73.23 -45.41 56.26 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.135 -0.978 . . . . 0.0 109.656 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -52.31 -28.81 20.56 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.325 -0.859 . . . . 0.0 109.217 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.428 HG23 HD12 ' A' ' 47' ' ' ILE . 87.7 mt -78.63 -33.77 17.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.319 -0.863 . . . . 0.0 109.099 179.679 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.77 -37.6 64.96 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.207 -0.933 . . . . 0.0 109.936 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -67.02 -33.81 76.35 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.18 -0.95 . . . . 0.0 110.52 -179.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 55.6 mt -72.77 -32.66 65.77 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 120.712 -1.243 . . . . 0.0 109.39 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -65.0 -29.42 70.34 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.775 -1.203 . . . . 0.0 109.005 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 77.1 t -82.52 -20.81 9.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.113 -0.992 . . . . 0.0 109.749 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -92.5 -8.25 45.06 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.084 -1.01 . . . . 0.0 109.469 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -120.18 -16.22 8.56 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 -179.402 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -60.64 173.02 5.94 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.294 -1.522 . . . . 0.0 109.294 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.571 ' SD ' ' N ' ' A' ' 56' ' ' MET . 1.1 mpt? -82.19 60.11 4.79 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.832 -1.393 . . . . 0.0 109.394 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.494 ' O ' ' N ' ' A' ' 59' ' ' ARG . 12.0 t -85.39 -37.93 19.28 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.297 -0.877 . . . . 0.0 109.403 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -45.72 94.2 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.309 -0.869 . . . . 0.0 109.856 -179.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 57' ' ' THR . 68.0 ttt180 -171.04 140.05 1.48 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.31 -0.869 . . . . 0.0 109.472 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -168.41 -28.4 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.224 -0.922 . . . . 0.0 109.469 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 48.6 mtp180 52.95 -152.04 0.29 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.266 -0.896 . . . . 0.0 109.415 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.294 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 -179.949 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.5 mmt . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 121.309 0.576 . . . . 0.0 109.447 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.533 ' C ' ' H ' ' A' ' 4' ' ' GLN . 1.8 m -143.63 93.42 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 121.219 -0.926 . . . . 0.0 109.167 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.706 HH21 ' HG1' ' A' ' 54' ' ' THR . 0.2 OUTLIER -72.41 15.42 0.18 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.884 -1.135 . . . . 0.0 109.289 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.533 ' H ' ' C ' ' A' ' 2' ' ' VAL . 66.0 mm-40 -44.12 -37.18 2.94 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.357 -0.839 . . . . 0.0 110.934 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -76.35 -75.42 0.19 Allowed 'General case' 0 N--CA 1.503 2.198 0 O-C-N 120.752 -1.218 . . . . 0.0 110.103 -179.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -46.87 -30.09 2.33 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.996 -1.065 . . . . 0.0 109.733 -178.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.0 tp -58.07 -54.64 44.63 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.24 -0.912 . . . . 0.0 108.658 179.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.91 -35.81 58.65 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.5 -0.75 . . . . 0.0 110.323 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.92 -43.4 83.39 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.131 -0.981 . . . . 0.0 110.11 -179.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.88 -43.52 90.93 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.088 -1.008 . . . . 0.0 109.771 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 63.0 mtm180 -57.37 -36.12 70.83 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.106 -0.996 . . . . 0.0 109.25 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.42 -41.3 98.59 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.404 -0.81 . . . . 0.0 109.82 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.17 -36.5 70.85 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.163 -0.96 . . . . 0.0 109.475 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 22.0 tp -65.12 -34.71 79.05 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.032 -1.042 . . . . 0.0 109.046 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.449 ' O ' ' OG1' ' A' ' 19' ' ' THR . 49.5 t60 -76.48 -40.35 50.53 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.068 -1.02 . . . . 0.0 110.625 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -76.24 -29.19 57.42 Favored 'General case' 0 C--N 1.295 -1.796 0 O-C-N 121.017 -1.052 . . . . 0.0 111.453 -178.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 44.3 mt -78.69 -29.46 45.56 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 120.617 -1.302 . . . . 0.0 110.9 -179.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.494 ' SD ' ' O ' ' A' ' 18' ' ' MET . 24.8 tpp -101.85 -4.94 25.44 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 120.976 -1.077 . . . . 0.0 110.156 -178.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.449 ' OG1' ' O ' ' A' ' 15' ' ' HIS . 22.6 m -90.57 -22.99 21.0 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.724 -1.235 . . . . 0.0 109.558 179.45 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 165.24 -63.35 0.23 Allowed Glycine 0 N--CA 1.491 2.326 0 C-N-CA 119.392 -1.385 . . . . 0.0 110.508 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.408 ' CD ' ' N ' ' A' ' 21' ' ' LYS . 2.8 mmtp -48.7 131.54 17.9 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.052 -1.264 . . . . 0.0 109.255 -179.077 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 -93.75 -14.71 25.95 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.117 -0.989 . . . . 0.0 109.894 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 73.0 t -117.19 148.07 20.16 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.138 0 O-C-N 121.454 -0.778 . . . . 0.0 110.179 -179.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.19 152.53 33.44 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 179.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.0 p -128.89 157.77 40.63 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.286 -0.884 . . . . 0.0 110.019 -179.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.9 t -141.3 135.21 31.55 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.002 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 178.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -83.89 104.59 14.09 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.134 -0.979 . . . . 0.0 109.533 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.511 ' NZ ' ' CB ' ' A' ' 28' ' ' LYS . 4.0 mtpm? -132.61 124.16 27.8 Favored 'General case' 0 N--CA 1.503 2.203 0 O-C-N 121.563 -0.71 . . . . 0.0 109.136 179.544 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.525 ' O ' ' N ' ' A' ' 31' ' ' ARG . 3.9 m-20 52.45 56.86 7.08 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.397 -0.814 . . . . 0.0 110.05 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 45.28 15.4 0.07 OUTLIER Glycine 0 N--CA 1.492 2.383 0 N-CA-C 110.215 -1.154 . . . . 0.0 110.215 179.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.525 ' N ' ' O ' ' A' ' 29' ' ' ASP . 17.4 tpt180 -124.05 130.55 52.75 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.202 -1.175 . . . . 0.0 109.56 -179.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -96.45 134.9 39.05 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.329 -0.857 . . . . 0.0 109.008 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 70.1 t -121.13 145.82 27.07 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.232 0 O-C-N 121.42 -0.8 . . . . 0.0 108.972 179.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.482 ' N ' ' CD ' ' A' ' 34' ' ' GLU . 2.9 mp0 -101.08 151.38 21.88 Favored 'General case' 0 N--CA 1.497 1.921 0 CA-C-O 121.9 0.857 . . . . 0.0 110.956 -178.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -140.23 135.27 32.18 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 178.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 38' ' ' THR . 6.4 p -118.74 153.79 33.84 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.418 -0.801 . . . . 0.0 109.308 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.13 -18.58 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.401 -0.812 . . . . 0.0 110.652 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.463 ' N ' ' O ' ' A' ' 36' ' ' THR . 6.2 m -69.25 -23.75 63.9 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.816 -1.178 . . . . 0.0 110.53 -179.233 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.453 ' C ' ' H ' ' A' ' 41' ' ' SER . 90.4 p -112.71 16.65 19.56 Favored 'General case' 0 N--CA 1.503 2.216 0 O-C-N 121.115 -0.99 . . . . 0.0 110.07 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.7 p -50.5 -12.43 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.017 -1.052 . . . . 0.0 109.672 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.453 ' H ' ' C ' ' A' ' 39' ' ' SER . 42.8 t -85.27 -52.98 5.53 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.898 -1.126 . . . . 0.0 110.541 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.543 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 30.4 p-10 -59.86 -24.22 64.05 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.795 -1.191 . . . . 0.0 109.408 -179.311 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.543 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 8.5 tp -73.82 -42.61 60.67 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 178.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 35.7 mttm -51.89 -30.7 25.13 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.116 -0.99 . . . . 0.0 108.611 179.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.7 mmtm -72.8 -45.19 59.81 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.295 -0.878 . . . . 0.0 109.562 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -57.13 -29.55 63.67 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.376 -0.828 . . . . 0.0 109.419 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.422 HG22 HD12 ' A' ' 47' ' ' ILE . 88.4 mt -79.07 -33.44 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.251 -0.906 . . . . 0.0 109.298 179.475 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.56 -41.63 62.7 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.215 -0.928 . . . . 0.0 109.984 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -64.08 -35.71 81.62 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.151 -0.968 . . . . 0.0 110.425 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 51.9 mt -70.04 -31.5 69.16 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 120.563 -1.335 . . . . 0.0 109.06 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -64.91 -29.43 70.37 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.945 -1.097 . . . . 0.0 109.431 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 78.8 t -82.58 -21.08 9.55 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 120.894 -1.129 . . . . 0.0 110.137 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.499 ' O ' ' NH2' ' A' ' 3' ' ' ARG . 44.5 mm-40 -91.42 -8.48 47.74 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.838 -1.164 . . . . 0.0 109.206 -179.644 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.706 ' HG1' HH21 ' A' ' 3' ' ' ARG . 0.6 OUTLIER -124.1 -36.99 2.62 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -179.685 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -70.46 173.3 40.53 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 21.0 mmt -107.44 31.5 5.37 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.135 -1.215 . . . . 0.0 109.29 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.7 t -84.01 -27.49 28.35 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.246 -0.909 . . . . 0.0 109.45 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 -46.22 -77.88 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.507 -0.746 . . . . 0.0 109.589 -179.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 76.4 mtm180 49.35 -162.43 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.225 -0.922 . . . . 0.0 109.358 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -140.23 62.37 1.5 Allowed 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.251 -0.906 . . . . 0.0 109.353 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 32.9 ptt180 -67.75 -159.42 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.294 -0.879 . . . . 0.0 109.453 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.27 0 CA-C-O 118.011 -1.439 . . . . 0.0 109.549 179.931 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.573 ' N ' ' SD ' ' A' ' 1' ' ' MET . 1.8 mpt? . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.47 ' C ' ' H ' ' A' ' 4' ' ' GLN . 2.6 m -67.07 84.5 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.252 -0.905 . . . . 0.0 109.358 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.46 14.21 0.64 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.878 -1.139 . . . . 0.0 108.859 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.47 ' H ' ' C ' ' A' ' 2' ' ' VAL . 14.3 mm100 -43.48 -34.46 1.35 Allowed 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.552 -0.717 . . . . 0.0 110.734 -179.703 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.416 ' N ' ' CD ' ' A' ' 5' ' ' GLU . 13.2 mp0 -75.23 -77.08 0.13 Allowed 'General case' 0 N--CA 1.499 2.006 0 O-C-N 120.926 -1.109 . . . . 0.0 110.374 -179.198 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.401 ' OE2' ' N ' ' A' ' 7' ' ' LEU . 1.7 pp20? -47.56 -37.01 11.42 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.115 -0.99 . . . . 0.0 109.868 -179.137 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.401 ' N ' ' OE2' ' A' ' 6' ' ' GLU . 13.2 tp -51.87 -53.98 34.42 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.031 -1.043 . . . . 0.0 108.59 179.206 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.07 -36.8 41.88 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.438 -0.789 . . . . 0.0 109.927 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.76 -38.57 83.61 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.085 -1.009 . . . . 0.0 109.995 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.79 -36.76 84.97 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.117 -0.989 . . . . 0.0 109.882 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 81.6 mtm180 -64.67 -34.33 78.05 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.105 -0.997 . . . . 0.0 109.265 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.68 -30.28 70.49 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.262 -0.899 . . . . 0.0 109.624 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.34 -37.62 80.7 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.257 -0.902 . . . . 0.0 109.397 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.2 tp -64.93 -35.97 82.86 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.204 -0.935 . . . . 0.0 108.97 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.461 ' O ' ' OG1' ' A' ' 19' ' ' THR . 52.8 t-80 -75.63 -41.29 54.59 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.135 -0.978 . . . . 0.0 110.591 -179.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -74.46 -37.95 63.09 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 120.802 -1.187 . . . . 0.0 111.177 -178.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 48.1 mt -67.62 -30.17 69.68 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.725 -1.235 . . . . 0.0 110.5 -179.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 4.3 tpt -103.4 -0.28 30.28 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 120.996 -1.065 . . . . 0.0 110.673 -179.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.461 ' OG1' ' O ' ' A' ' 15' ' ' HIS . 22.0 m -98.26 -23.66 15.56 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.698 -1.251 . . . . 0.0 109.885 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 170.19 -78.21 0.1 OUTLIER Glycine 0 N--CA 1.492 2.403 0 C-N-CA 119.544 -1.312 . . . . 0.0 109.935 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 61.9 mttt -46.89 104.55 0.05 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.239 -1.153 . . . . 0.0 109.284 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -71.15 -14.85 62.42 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.419 -0.8 . . . . 0.0 110.169 -179.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.2 t -106.34 148.2 10.99 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 O-C-N 121.286 -0.884 . . . . 0.0 110.694 -179.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.53 152.92 33.61 Favored 'General case' 0 N--CA 1.495 1.816 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 179.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.1 p -137.19 143.98 42.64 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.107 -0.996 . . . . 0.0 110.016 -179.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.4 m -144.58 176.28 2.49 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 178.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -106.46 124.52 49.73 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.232 -0.918 . . . . 0.0 109.482 -179.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 52.8 mttm -134.0 110.48 9.7 Favored 'General case' 0 N--CA 1.501 2.078 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 179.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.521 ' C ' ' H ' ' A' ' 31' ' ' ARG . 19.4 t70 53.5 58.81 4.83 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.26 -0.9 . . . . 0.0 109.864 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 50.53 5.77 0.09 OUTLIER Glycine 0 N--CA 1.493 2.49 0 N-CA-C 110.387 -1.085 . . . . 0.0 110.387 179.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.521 ' H ' ' C ' ' A' ' 29' ' ' ASP . 12.1 tpp180 -110.95 130.14 55.67 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.09 -1.241 . . . . 0.0 109.788 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 66.3 mtt180 -92.88 134.17 35.36 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.346 -0.846 . . . . 0.0 108.759 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 59.5 t -135.81 142.39 39.28 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.026 0 O-C-N 121.311 -0.868 . . . . 0.0 108.913 179.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.526 ' CD ' ' H ' ' A' ' 34' ' ' GLU . 1.9 mp0 -97.62 157.93 15.77 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.472 -0.768 . . . . 0.0 110.221 -179.214 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -140.48 135.36 31.87 Favored 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 38' ' ' THR . 7.0 p -119.34 154.68 33.19 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.499 -0.751 . . . . 0.0 109.228 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.05 -18.25 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.364 -0.835 . . . . 0.0 110.687 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.47 ' N ' ' O ' ' A' ' 36' ' ' THR . 5.9 m -67.02 -23.67 65.93 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 120.704 -1.248 . . . . 0.0 110.297 -179.36 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.526 ' O ' ' N ' ' A' ' 41' ' ' SER . 93.2 p -114.38 17.12 17.66 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 121.23 -0.919 . . . . 0.0 110.219 -179.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.8 p -48.92 -10.7 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 120.919 -1.113 . . . . 0.0 109.612 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.526 ' N ' ' O ' ' A' ' 39' ' ' SER . 47.7 t -84.67 -52.06 6.37 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.055 -1.028 . . . . 0.0 110.552 -179.51 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.549 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 33.3 p-10 -62.59 -27.73 69.39 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.819 -1.176 . . . . 0.0 109.942 -179.086 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.549 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 7.8 tp -73.56 -40.37 63.99 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.745 -1.222 . . . . 0.0 107.866 178.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.8 ttmm -52.29 -34.36 46.26 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.482 -0.761 . . . . 0.0 109.256 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.0 tttm -73.29 -45.57 54.81 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.329 -0.857 . . . . 0.0 109.571 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -52.31 -28.7 20.13 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.4 -0.812 . . . . 0.0 109.588 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.437 ' O ' ' OE2' ' A' ' 51' ' ' GLU . 84.4 mt -78.01 -39.46 25.47 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.223 -0.923 . . . . 0.0 109.38 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.33 -36.57 71.61 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.195 -0.941 . . . . 0.0 110.195 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -67.6 -33.71 75.55 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.16 -0.963 . . . . 0.0 110.582 -179.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 44.0 mt -71.79 -33.93 68.99 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 120.685 -1.259 . . . . 0.0 109.465 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.519 ' N ' ' OE1' ' A' ' 51' ' ' GLU . 0.2 OUTLIER -64.29 -29.76 70.84 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.715 -1.241 . . . . 0.0 108.686 179.315 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 74.8 t -82.5 -20.43 9.93 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 O-C-N 121.122 -0.986 . . . . 0.0 109.598 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -92.27 -8.41 45.33 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.115 -0.991 . . . . 0.0 109.258 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.429 ' OG1' ' O ' ' A' ' 1' ' ' MET . 0.6 OUTLIER -119.97 -36.48 3.27 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 -179.69 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -88.42 62.76 3.74 Favored Glycine 0 N--CA 1.493 2.446 0 N-CA-C 109.088 -1.605 . . . . 0.0 109.088 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 35.9 ttp -50.42 156.25 0.9 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.331 -1.099 . . . . 0.0 109.502 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.7 t -170.95 -172.98 1.22 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.685 -1.259 . . . . 0.0 109.192 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -173.36 -83.11 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.503 -0.748 . . . . 0.0 109.489 178.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.565 ' CG ' HH11 ' A' ' 59' ' ' ARG . 3.8 mtt-85 -50.24 165.29 0.09 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.308 -0.87 . . . . 0.0 109.638 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -168.6 -47.8 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.379 -0.826 . . . . 0.0 109.38 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 20.2 mmt180 -69.06 -150.99 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.28 -0.887 . . . . 0.0 109.568 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.306 0 N-CA-C 109.483 -1.447 . . . . 0.0 109.483 179.935 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.667 ' H2 ' ' NH1' ' A' ' 3' ' ' ARG . 0.6 OUTLIER . . . . . 0 N--CA 1.492 1.627 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.413 ' C ' ' H ' ' A' ' 4' ' ' GLN . 33.7 m -67.98 107.54 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.243 -0.91 . . . . 0.0 109.363 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.667 ' NH1' ' H2 ' ' A' ' 1' ' ' MET . 1.6 mpp_? -83.16 30.07 0.47 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.702 -1.249 . . . . 0.0 108.733 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.413 ' H ' ' C ' ' A' ' 2' ' ' VAL . 74.1 mt-30 -47.69 -47.71 29.65 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.323 -0.861 . . . . 0.0 110.5 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.471 ' N ' ' CD ' ' A' ' 5' ' ' GLU . 5.2 mp0 -68.29 -54.43 17.6 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.067 -1.021 . . . . 0.0 111.242 -178.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -64.56 -39.37 93.62 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.927 -1.108 . . . . 0.0 109.445 -178.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 14.0 tp -50.78 -54.42 23.64 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.417 -0.802 . . . . 0.0 108.906 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.79 -36.29 62.28 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.515 -0.741 . . . . 0.0 109.976 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.07 -31.31 70.86 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.213 -0.929 . . . . 0.0 110.0 -179.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.47 -39.79 70.68 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.029 -1.044 . . . . 0.0 109.768 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 78.5 mtm180 -61.21 -35.82 78.23 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.205 -0.934 . . . . 0.0 109.236 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.73 -40.92 97.93 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.452 -0.78 . . . . 0.0 109.576 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.56 -38.59 72.13 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.175 -0.953 . . . . 0.0 109.33 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 19.8 tp -62.98 -35.54 80.52 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.114 -0.991 . . . . 0.0 108.846 179.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.459 ' O ' ' OG1' ' A' ' 19' ' ' THR . 25.5 t-80 -75.54 -45.85 35.55 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.047 -1.033 . . . . 0.0 110.649 -179.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -70.55 -36.76 73.85 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 120.868 -1.145 . . . . 0.0 111.39 -178.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 40.4 mt -68.7 -31.12 69.98 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.698 -1.251 . . . . 0.0 110.452 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 6.3 tpt -103.31 -0.21 30.55 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 120.87 -1.144 . . . . 0.0 110.474 -179.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.459 ' OG1' ' O ' ' A' ' 15' ' ' HIS . 23.1 m -97.55 -23.6 15.94 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.768 -1.207 . . . . 0.0 109.815 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 169.96 -78.34 0.1 OUTLIER Glycine 0 N--CA 1.491 2.344 0 C-N-CA 119.566 -1.302 . . . . 0.0 109.945 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -46.86 105.44 0.07 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.252 -1.146 . . . . 0.0 109.48 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -71.34 -15.02 62.37 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.34 -0.85 . . . . 0.0 110.116 -179.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.9 t -106.82 146.79 12.81 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.023 0 O-C-N 121.295 -0.878 . . . . 0.0 110.62 -179.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -152.04 152.63 32.66 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 82.5 p -140.82 143.18 34.67 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.063 -1.023 . . . . 0.0 109.964 -179.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.9 m -140.03 153.83 22.94 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 O-C-N 121.294 -0.879 . . . . 0.0 108.655 178.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.451 ' N ' ' OE1' ' A' ' 27' ' ' GLN . 1.7 mp0 -84.85 104.66 15.0 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.25 -0.906 . . . . 0.0 109.64 -179.506 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' A' ' 31' ' ' ARG . 8.5 mtmp? -133.13 148.64 52.12 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.41 -0.806 . . . . 0.0 109.229 179.477 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.576 ' C ' ' H ' ' A' ' 31' ' ' ARG . 36.3 t0 48.58 44.66 21.14 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.264 -0.898 . . . . 0.0 110.658 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 52.02 1.24 0.04 OUTLIER Glycine 0 N--CA 1.495 2.581 0 O-C-N 120.881 -1.137 . . . . 0.0 110.934 179.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.576 ' H ' ' C ' ' A' ' 29' ' ' ASP . 0.2 OUTLIER -125.56 148.99 48.73 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.007 -1.29 . . . . 0.0 109.31 179.905 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 27.7 ptt180 -92.9 133.53 36.01 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.39 -0.819 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.7 t -127.07 144.58 36.75 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.103 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.515 ' CD ' ' H ' ' A' ' 34' ' ' GLU . 2.4 mp0 -97.83 156.07 16.75 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-O 121.698 0.761 . . . . 0.0 110.609 -179.093 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -140.2 134.66 31.46 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 179.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 38' ' ' THR . 7.5 p -119.18 154.88 32.62 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.422 -0.799 . . . . 0.0 109.433 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.06 -18.71 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.373 -0.829 . . . . 0.0 110.694 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 36' ' ' THR . 5.9 m -68.05 -23.56 64.98 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.807 -1.183 . . . . 0.0 110.378 -179.275 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.516 ' O ' ' N ' ' A' ' 41' ' ' SER . 94.1 p -114.27 16.42 17.94 Favored 'General case' 0 N--CA 1.503 2.18 0 O-C-N 121.208 -0.932 . . . . 0.0 110.182 -179.607 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.2 p -48.8 -11.62 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 120.929 -1.107 . . . . 0.0 109.525 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.518 ' HG ' ' H ' ' A' ' 42' ' ' ASP . 94.5 p -84.65 -52.67 5.92 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.95 -1.094 . . . . 0.0 110.678 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.545 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 38.1 p-10 -60.79 -25.48 66.58 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.824 -1.173 . . . . 0.0 109.698 -179.248 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.545 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 7.3 tp -73.27 -41.06 64.07 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 178.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.5 mttm -52.2 -31.66 32.83 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.157 -0.964 . . . . 0.0 108.516 179.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -73.28 -45.36 56.11 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.272 -0.892 . . . . 0.0 109.539 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -55.11 -29.02 56.76 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.34 -0.85 . . . . 0.0 109.633 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 86.9 mt -78.14 -35.02 19.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.229 -0.919 . . . . 0.0 109.305 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.92 -41.33 62.23 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.251 -0.906 . . . . 0.0 109.971 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 48.9 tt0 -63.33 -34.53 77.91 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.205 -0.935 . . . . 0.0 110.425 -179.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 57.0 mt -72.2 -31.92 66.31 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.612 -1.305 . . . . 0.0 109.158 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -63.05 -29.57 70.92 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.82 -1.175 . . . . 0.0 109.046 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 70.1 t -83.06 -20.94 9.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.083 -1.011 . . . . 0.0 109.852 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -91.7 -8.26 47.49 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.0 -1.063 . . . . 0.0 109.185 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -123.24 -16.38 6.94 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 -179.404 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.454 ' C ' ' SD ' ' A' ' 56' ' ' MET . . . -53.55 -91.76 0.01 OUTLIER Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.654 -1.378 . . . . 0.0 109.654 -179.682 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.454 ' SD ' ' C ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -173.75 46.31 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.77 -1.43 . . . . 0.0 109.634 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.8 t -89.41 -165.37 1.33 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.132 -0.98 . . . . 0.0 109.435 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -173.93 -28.36 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.625 -0.672 . . . . 0.0 109.323 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -167.88 131.02 1.61 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.317 -0.864 . . . . 0.0 109.536 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 57.39 176.35 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.254 -0.904 . . . . 0.0 109.094 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 52.7 mtp180 53.31 43.44 31.44 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.225 -0.922 . . . . 0.0 109.467 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.328 0 CA-C-O 118.008 -1.44 . . . . 0.0 109.534 179.903 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.3 ptp . . . . . 0 N--CA 1.49 1.542 0 CA-C-O 121.286 0.565 . . . . 0.0 109.504 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.544 ' C ' ' H ' ' A' ' 4' ' ' GLN . 2.8 m -143.64 85.72 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 121.176 -0.953 . . . . 0.0 109.392 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.418 ' N ' ' CD ' ' A' ' 3' ' ' ARG . 10.7 mpt_? -75.3 22.74 0.12 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.73 -1.231 . . . . 0.0 108.971 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.544 ' H ' ' C ' ' A' ' 2' ' ' VAL . 30.4 mt-30 -44.81 -42.17 7.61 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.421 -0.8 . . . . 0.0 110.609 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -72.61 -59.44 2.72 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 121.111 -0.993 . . . . 0.0 110.299 -179.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -56.82 -37.81 71.72 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 120.929 -1.107 . . . . 0.0 109.124 -179.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 17.5 tp -51.05 -54.1 27.76 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.353 -0.842 . . . . 0.0 108.925 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.05 -33.23 56.87 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.392 -0.818 . . . . 0.0 109.998 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.62 -32.77 70.23 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.169 -0.957 . . . . 0.0 110.036 -179.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.64 -42.57 70.7 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.159 -0.963 . . . . 0.0 109.914 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -59.0 -36.84 75.58 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.126 -0.984 . . . . 0.0 108.963 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.14 -40.52 96.23 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.46 -0.775 . . . . 0.0 109.416 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.09 -36.41 68.09 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.218 -0.926 . . . . 0.0 109.175 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 21.7 tp -65.11 -34.43 78.38 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.113 -0.992 . . . . 0.0 108.766 179.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.46 ' O ' ' OG1' ' A' ' 19' ' ' THR . 71.8 t60 -75.88 -40.2 54.97 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.2 -0.937 . . . . 0.0 110.868 -179.463 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -76.8 -32.34 57.57 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 120.8 -1.187 . . . . 0.0 111.666 -178.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 81.0 mt -76.58 -27.86 55.98 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.608 -1.308 . . . . 0.0 110.939 -178.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.448 ' O ' ' CG ' ' A' ' 18' ' ' MET . 20.0 ttm -102.54 0.76 34.03 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 120.885 -1.134 . . . . 0.0 110.409 -179.241 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.46 ' OG1' ' O ' ' A' ' 15' ' ' HIS . 29.6 m -100.55 -23.38 14.7 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.137 -0.977 . . . . 0.0 109.944 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 169.25 -75.52 0.11 Allowed Glycine 0 N--CA 1.494 2.514 0 C-N-CA 119.42 -1.371 . . . . 0.0 110.376 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 44.7 mttm -44.25 131.67 6.07 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.377 -1.072 . . . . 0.0 109.904 -179.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.16 -15.44 25.97 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.443 -0.786 . . . . 0.0 110.149 -179.256 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.1 p -114.11 146.19 18.97 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.293 0 O-C-N 121.404 -0.81 . . . . 0.0 110.868 -178.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.61 136.74 17.44 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.7 p -108.95 155.56 20.72 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.319 -0.863 . . . . 0.0 109.945 -179.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.6 t -142.39 134.8 26.71 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.996 0 O-C-N 121.26 -0.9 . . . . 0.0 108.915 178.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -86.87 103.4 15.23 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.213 -0.929 . . . . 0.0 109.109 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.2 mtmt -131.35 122.43 26.35 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.459 -0.776 . . . . 0.0 109.104 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' A' ' 31' ' ' ARG . 0.6 OUTLIER 53.0 57.93 5.84 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.302 -0.874 . . . . 0.0 109.806 -179.845 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 45.55 15.23 0.08 OUTLIER Glycine 0 N--CA 1.493 2.465 0 N-CA-C 110.171 -1.172 . . . . 0.0 110.171 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.523 ' N ' ' O ' ' A' ' 29' ' ' ASP . 66.5 mtm180 -120.49 130.81 54.44 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.216 -1.167 . . . . 0.0 109.797 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 51.1 mtm180 -96.65 133.85 40.64 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 178.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 45.7 t -129.27 144.36 38.38 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.209 0 O-C-N 121.163 -0.961 . . . . 0.0 109.433 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.472 ' CD ' ' N ' ' A' ' 34' ' ' GLU . 10.2 mp0 -101.47 155.01 18.33 Favored 'General case' 0 N--CA 1.496 1.865 0 CA-C-O 121.715 0.769 . . . . 0.0 110.555 -179.215 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -140.71 136.47 32.62 Favored 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 38' ' ' THR . 9.4 p -117.87 152.77 34.73 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.421 -0.8 . . . . 0.0 109.297 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.94 -17.95 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.417 -0.802 . . . . 0.0 110.69 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 36' ' ' THR . 3.6 p -70.39 -23.66 62.8 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.729 -1.232 . . . . 0.0 110.236 -179.311 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.483 ' C ' ' H ' ' A' ' 41' ' ' SER . 90.8 p -111.83 16.45 20.42 Favored 'General case' 0 N--CA 1.503 2.189 0 O-C-N 121.061 -1.024 . . . . 0.0 109.993 -179.719 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.8 p -49.99 -11.87 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 121.062 -1.024 . . . . 0.0 109.521 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.483 ' H ' ' C ' ' A' ' 39' ' ' SER . 44.8 m -85.46 -52.86 5.56 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.058 -1.026 . . . . 0.0 110.64 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.546 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 35.6 p-10 -59.54 -23.88 63.23 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.723 -1.235 . . . . 0.0 109.361 -179.475 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.546 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 7.8 tp -74.99 -40.55 60.63 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 178.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 49.0 mttt -51.2 -36.82 43.33 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.128 -0.982 . . . . 0.0 108.805 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -73.92 -46.11 46.38 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.12 -0.988 . . . . 0.0 109.806 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -51.31 -26.4 7.43 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.17 -0.957 . . . . 0.0 108.901 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 92.2 mt -79.76 -35.15 16.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.325 -0.86 . . . . 0.0 109.087 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.74 -40.63 63.38 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.213 -0.93 . . . . 0.0 109.791 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -63.35 -35.17 79.52 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.166 -0.959 . . . . 0.0 110.374 -179.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 51.0 mt -71.11 -32.21 68.74 Favored 'General case' 0 N--CA 1.497 1.919 0 C-N-CA 118.54 -1.264 . . . . 0.0 108.954 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -62.81 -29.76 70.97 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.911 -1.118 . . . . 0.0 109.299 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 70.0 t -82.91 -21.76 9.03 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 120.932 -1.105 . . . . 0.0 109.985 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.6 mm100 -92.24 -8.09 46.32 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.972 -1.08 . . . . 0.0 109.271 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -120.34 -39.08 2.82 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -76.45 -167.54 25.67 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.18 -1.568 . . . . 0.0 109.18 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 18.7 ttt -143.34 52.87 1.35 Allowed 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.898 -1.354 . . . . 0.0 109.157 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.2 t -88.21 -28.11 21.37 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.319 -0.863 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -50.26 -22.17 1.66 Allowed 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.451 -0.78 . . . . 0.0 109.061 -179.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 31.1 ptt180 -47.18 162.86 0.05 OUTLIER 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.361 -0.837 . . . . 0.0 109.805 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.685 ' HE ' ' N ' ' A' ' 60' ' ' ARG . 1.3 mmp_? -46.08 -72.68 0.05 Allowed 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.279 -0.888 . . . . 0.0 109.491 -179.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 29.4 ptt180 -169.58 12.27 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.179 -0.951 . . . . 0.0 109.462 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.356 0 CA-C-O 118.037 -1.424 . . . . 0.0 109.573 -179.982 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.7 ttm . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 121.282 0.563 . . . . 0.0 109.497 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.529 ' C ' ' H ' ' A' ' 4' ' ' GLN . 2.5 m -143.58 90.99 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 121.266 -0.896 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -75.5 21.84 0.14 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.617 -1.302 . . . . 0.0 108.938 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.529 ' H ' ' C ' ' A' ' 2' ' ' VAL . 27.5 mm100 -46.79 -46.12 20.42 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.451 -0.781 . . . . 0.0 110.642 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.47 ' CD ' ' N ' ' A' ' 5' ' ' GLU . 16.8 mp0 -69.19 -57.25 5.61 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.158 -0.963 . . . . 0.0 111.125 -178.756 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -60.88 -35.1 75.75 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.761 -1.212 . . . . 0.0 109.157 -179.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 14.5 tp -51.04 -54.07 28.01 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.83 -44.87 70.61 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.571 -0.706 . . . . 0.0 110.059 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.95 -35.04 77.27 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.156 -0.965 . . . . 0.0 110.021 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.81 -44.24 86.23 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.19 -0.944 . . . . 0.0 109.759 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -57.25 -33.68 67.84 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.193 -0.942 . . . . 0.0 109.187 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.05 -33.6 75.87 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.387 -0.82 . . . . 0.0 109.576 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.99 -31.91 73.26 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.191 -0.943 . . . . 0.0 109.349 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.8 tp -70.15 -37.35 75.21 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.192 -0.942 . . . . 0.0 109.114 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.459 ' O ' ' OG1' ' A' ' 19' ' ' THR . 60.6 m80 -76.58 -38.2 55.29 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.886 -1.134 . . . . 0.0 110.813 -179.534 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -75.82 -29.96 58.85 Favored 'General case' 0 C--N 1.296 -1.721 0 O-C-N 120.797 -1.189 . . . . 0.0 111.464 -178.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.4 mt -79.04 -29.12 43.38 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 120.727 -1.233 . . . . 0.0 111.019 -179.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 5.8 tpt -101.83 -0.13 34.69 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 120.808 -1.182 . . . . 0.0 110.273 -179.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.459 ' OG1' ' O ' ' A' ' 15' ' ' HIS . 20.1 m -95.25 -22.73 17.61 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.934 -1.104 . . . . 0.0 109.379 179.366 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 164.72 -63.98 0.23 Allowed Glycine 0 N--CA 1.493 2.443 0 C-N-CA 119.674 -1.251 . . . . 0.0 110.054 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.444 ' CD ' ' N ' ' A' ' 21' ' ' LYS . 4.0 mptp? -46.24 131.52 10.34 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.324 -1.103 . . . . 0.0 109.519 -179.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -94.0 -13.68 26.72 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.268 -0.895 . . . . 0.0 110.211 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.1 p -121.73 149.18 24.92 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.349 0 O-C-N 121.414 -0.804 . . . . 0.0 110.819 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -149.45 152.42 35.63 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 179.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.0 p -126.3 154.8 42.94 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.314 -0.866 . . . . 0.0 109.799 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.9 t -142.16 135.18 28.08 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 O-C-N 121.257 -0.902 . . . . 0.0 108.927 179.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -83.79 102.24 12.18 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.198 -0.939 . . . . 0.0 109.522 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.483 ' NZ ' ' CZ ' ' A' ' 46' ' ' TYR . 37.6 mtpt -134.0 134.06 42.03 Favored 'General case' 0 N--CA 1.501 2.093 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 179.47 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.533 ' O ' ' N ' ' A' ' 31' ' ' ARG . 60.3 t0 51.74 52.0 15.47 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.328 -0.857 . . . . 0.0 110.381 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 46.81 11.5 0.05 OUTLIER Glycine 0 N--CA 1.493 2.473 0 N-CA-C 110.431 -1.067 . . . . 0.0 110.431 179.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.533 ' N ' ' O ' ' A' ' 29' ' ' ASP . 40.5 ttp180 -124.58 138.75 54.3 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.21 -1.17 . . . . 0.0 109.77 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 44.2 mtp180 -93.64 134.9 35.47 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.395 -0.816 . . . . 0.0 109.105 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 67.5 t -120.97 150.99 23.88 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.195 0 O-C-N 121.435 -0.79 . . . . 0.0 109.056 179.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -108.59 153.84 22.82 Favored 'General case' 0 N--CA 1.499 2.016 0 CA-C-O 121.683 0.754 . . . . 0.0 110.703 -178.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -140.24 136.28 33.2 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 179.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 38' ' ' THR . 9.2 p -116.5 152.68 33.58 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.417 -0.802 . . . . 0.0 109.433 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.79 -18.66 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.401 -0.812 . . . . 0.0 110.585 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 36' ' ' THR . 6.7 m -70.13 -24.25 63.15 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.744 -1.223 . . . . 0.0 110.485 -179.249 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.449 ' C ' ' H ' ' A' ' 41' ' ' SER . 87.6 p -110.74 16.51 21.33 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.102 -0.998 . . . . 0.0 109.856 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.2 p -51.35 -12.08 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.096 -1.002 . . . . 0.0 109.679 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.449 ' H ' ' C ' ' A' ' 39' ' ' SER . 48.0 m -85.92 -53.15 5.28 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.93 -1.106 . . . . 0.0 110.465 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.557 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 28.4 p-10 -58.59 -24.69 61.44 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.945 -1.097 . . . . 0.0 109.354 -179.468 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.557 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 8.5 tp -75.16 -41.03 59.04 Favored 'General case' 0 N--CA 1.486 1.333 0 O-C-N 121.041 -1.037 . . . . 0.0 108.246 178.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -51.58 -34.61 37.83 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.222 -0.924 . . . . 0.0 109.243 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -74.78 -45.98 40.06 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.054 -1.029 . . . . 0.0 109.758 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.483 ' CZ ' ' NZ ' ' A' ' 28' ' ' LYS . 32.0 t80 -51.36 -26.28 7.45 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.18 -0.95 . . . . 0.0 108.878 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.421 ' O ' ' OE2' ' A' ' 51' ' ' GLU . 89.7 mt -80.36 -41.37 20.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.304 -0.873 . . . . 0.0 109.59 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.45 -36.24 73.81 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.095 -1.003 . . . . 0.0 110.134 -179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -68.3 -34.54 76.34 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.107 -0.996 . . . . 0.0 110.545 -179.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 49.5 mt -70.4 -33.08 70.96 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.541 -1.35 . . . . 0.0 109.416 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.529 ' N ' ' OE1' ' A' ' 51' ' ' GLU . 0.1 OUTLIER -65.53 -30.08 70.8 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.854 -1.154 . . . . 0.0 109.143 179.607 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 69.0 t -82.34 -20.33 10.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 120.982 -1.074 . . . . 0.0 109.894 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -92.12 -8.34 45.99 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.009 -1.057 . . . . 0.0 109.123 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -123.3 -39.47 2.46 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 -179.531 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -65.38 177.11 12.51 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 23.5 mmt -139.1 51.56 1.79 Allowed 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.07 -1.253 . . . . 0.0 109.121 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.9 t -86.27 -157.89 0.38 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.212 -0.93 . . . . 0.0 109.354 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -172.34 -56.02 0.02 OUTLIER 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.58 -0.7 . . . . 0.0 109.309 178.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -72.21 -164.33 0.14 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.261 -0.899 . . . . 0.0 109.406 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 56.7 mtm180 -146.89 19.49 1.27 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.326 -0.859 . . . . 0.0 109.306 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.423 ' HG3' HH11 ' A' ' 61' ' ' ARG . 14.7 ttm-85 -64.62 -64.53 0.85 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.227 -0.921 . . . . 0.0 109.442 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.357 0 CA-C-O 117.983 -1.454 . . . . 0.0 109.545 -179.974 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.3 mtt . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.6 m -86.29 85.18 2.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.329 -0.857 . . . . 0.0 109.325 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.5 ' N ' ' CD ' ' A' ' 3' ' ' ARG . 0.4 OUTLIER -76.94 7.99 4.27 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.824 -1.173 . . . . 0.0 109.418 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.551 ' N ' ' NE2' ' A' ' 4' ' ' GLN . 1.7 mp0 -43.76 -36.81 2.41 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.332 -0.855 . . . . 0.0 110.78 -179.641 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -76.88 -73.98 0.26 Allowed 'General case' 0 N--CA 1.501 2.123 0 O-C-N 120.808 -1.182 . . . . 0.0 109.717 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -46.52 -32.59 3.46 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.151 -0.968 . . . . 0.0 109.713 -179.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.2 tp -56.71 -54.28 47.98 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.249 -0.907 . . . . 0.0 108.61 179.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.05 -33.64 26.41 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.513 -0.742 . . . . 0.0 110.064 -179.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.36 -37.18 77.5 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.108 -0.995 . . . . 0.0 110.064 -179.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.96 -38.87 89.67 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.086 -1.009 . . . . 0.0 109.987 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 83.3 mtm180 -63.24 -33.35 75.3 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.188 -0.945 . . . . 0.0 109.1 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.63 -36.62 84.85 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.407 -0.808 . . . . 0.0 109.66 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.17 -41.57 98.43 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.159 -0.963 . . . . 0.0 109.396 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 30.1 tp -63.22 -32.71 74.17 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.068 -1.02 . . . . 0.0 108.76 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.458 ' O ' ' OG1' ' A' ' 19' ' ' THR . 26.6 t60 -75.46 -41.37 55.79 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.223 -0.923 . . . . 0.0 110.631 -179.538 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -76.41 -39.46 53.52 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 121.015 -1.053 . . . . 0.0 111.346 -178.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 59.3 mt -67.76 -29.47 68.68 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.755 -1.216 . . . . 0.0 110.852 -178.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 25.9 ttm -102.23 -0.01 33.71 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 120.791 -1.193 . . . . 0.0 110.562 -178.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.458 ' OG1' ' O ' ' A' ' 15' ' ' HIS . 14.9 m -97.01 -23.09 16.44 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.011 -1.056 . . . . 0.0 109.57 179.525 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 167.52 -70.51 0.17 Allowed Glycine 0 N--CA 1.492 2.385 0 C-N-CA 119.539 -1.315 . . . . 0.0 110.216 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.6 mttm -45.94 132.01 9.39 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.23 -1.159 . . . . 0.0 109.69 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -93.13 -14.42 27.24 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.277 -0.889 . . . . 0.0 109.868 -179.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.5 p -115.57 147.12 19.18 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.372 0 CA-C-O 121.677 0.751 . . . . 0.0 110.898 -178.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.45 152.47 33.09 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 179.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 69.5 p -139.67 145.47 38.47 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.096 -1.003 . . . . 0.0 109.866 -179.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.7 m -146.64 168.94 5.52 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.933 0 O-C-N 121.252 -0.905 . . . . 0.0 108.766 178.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -83.89 124.78 31.34 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.137 -0.977 . . . . 0.0 109.458 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -135.61 114.96 12.52 Favored 'General case' 0 N--CA 1.503 2.222 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 179.506 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.541 ' C ' ' H ' ' A' ' 31' ' ' ARG . 20.0 t70 49.2 51.73 15.72 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.244 -0.91 . . . . 0.0 110.386 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 64.76 -22.32 0.1 Allowed Glycine 0 N--CA 1.493 2.459 0 O-C-N 121.05 -1.031 . . . . 0.0 111.096 179.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.541 ' H ' ' C ' ' A' ' 29' ' ' ASP . 12.1 ptm180 -100.65 140.18 35.28 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 120.667 -1.49 . . . . 0.0 109.666 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.537 HH11 ' CG ' ' A' ' 32' ' ' ARG . 0.1 OUTLIER -90.34 134.04 34.58 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.465 -0.772 . . . . 0.0 109.378 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 78.7 t -122.5 153.56 27.2 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 CA-C-O 121.607 0.718 . . . . 0.0 109.093 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -103.73 155.89 18.23 Favored 'General case' 0 N--CA 1.499 1.98 0 CA-C-O 121.516 0.674 . . . . 0.0 110.083 -179.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -139.79 135.62 33.22 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.455 ' O ' ' N ' ' A' ' 38' ' ' THR . 8.9 p -118.27 152.84 34.98 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.532 -0.73 . . . . 0.0 109.339 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.98 -17.84 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.447 -0.783 . . . . 0.0 110.649 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.455 ' N ' ' O ' ' A' ' 36' ' ' THR . 3.4 p -70.36 -23.89 62.88 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.725 -1.234 . . . . 0.0 110.358 -179.179 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.473 ' C ' ' H ' ' A' ' 41' ' ' SER . 90.0 p -111.84 16.15 20.54 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.026 -1.046 . . . . 0.0 109.877 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.3 p -50.13 -12.07 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.004 -1.06 . . . . 0.0 109.611 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.473 ' H ' ' C ' ' A' ' 39' ' ' SER . 42.0 t -84.89 -52.45 6.0 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.982 -1.074 . . . . 0.0 110.498 -179.755 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.554 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 35.3 p-10 -60.15 -24.72 64.94 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.833 -1.167 . . . . 0.0 109.624 -179.325 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.554 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 7.8 tp -74.61 -41.92 59.56 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 120.883 -1.136 . . . . 0.0 108.378 179.006 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.5 mtmt -51.66 -35.23 41.5 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.015 -1.053 . . . . 0.0 108.834 179.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -68.9 -45.22 71.48 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.176 -0.952 . . . . 0.0 109.559 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -54.94 -29.16 55.81 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.338 -0.851 . . . . 0.0 109.414 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.405 HG22 HD12 ' A' ' 47' ' ' ILE . 88.6 mt -78.53 -33.02 16.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.224 -0.922 . . . . 0.0 109.175 179.643 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.96 -44.48 54.73 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.229 -0.919 . . . . 0.0 109.941 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -61.11 -35.77 77.93 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.151 -0.968 . . . . 0.0 110.374 -179.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 54.5 mt -70.38 -31.94 69.4 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 120.681 -1.262 . . . . 0.0 109.242 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -63.03 -29.28 70.7 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.914 -1.116 . . . . 0.0 109.104 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 77.3 t -82.86 -20.43 9.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.06 -1.025 . . . . 0.0 110.01 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -91.26 -8.94 46.93 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.891 -1.13 . . . . 0.0 109.35 -179.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -124.26 -31.73 3.28 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 -179.584 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -74.09 -50.62 10.19 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.648 -1.381 . . . . 0.0 109.648 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 35.2 tpp 55.36 51.91 12.22 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.256 -1.144 . . . . 0.0 109.203 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.526 ' O ' ' N ' ' A' ' 59' ' ' ARG . 12.9 t -88.41 -36.1 16.72 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.282 -0.886 . . . . 0.0 109.456 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -45.71 -15.82 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.425 -0.797 . . . . 0.0 109.942 -179.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.526 ' N ' ' O ' ' A' ' 57' ' ' THR . 37.2 ttp180 -51.42 -93.07 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.185 -0.947 . . . . 0.0 109.401 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.6 mtp180 -48.42 -74.75 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.135 -0.978 . . . . 0.0 109.531 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 28.8 ptt180 -174.33 -163.44 0.15 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.212 -0.93 . . . . 0.0 109.463 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.301 0 CA-C-O 118.001 -1.444 . . . . 0.0 109.546 -179.962 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.66 ' H1 ' ' NH1' ' A' ' 3' ' ' ARG . 25.3 ttt . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.52 ' C ' ' H ' ' A' ' 4' ' ' GLN . 2.1 m -125.43 88.51 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.015 0 O-C-N 121.493 -0.754 . . . . 0.0 109.178 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.66 ' NH1' ' H1 ' ' A' ' 1' ' ' MET . 10.9 mpt_? -71.81 15.03 0.16 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.957 -1.089 . . . . 0.0 109.22 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.52 ' H ' ' C ' ' A' ' 2' ' ' VAL . 32.4 mt-30 -43.46 -35.95 1.81 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.348 -0.845 . . . . 0.0 111.146 -179.49 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -77.13 -75.66 0.2 Allowed 'General case' 0 N--CA 1.501 2.097 0 O-C-N 120.716 -1.24 . . . . 0.0 109.839 -179.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -47.33 -32.87 5.15 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.184 -0.947 . . . . 0.0 109.966 -179.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 16.7 tp -57.92 -54.62 44.87 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.061 -1.024 . . . . 0.0 108.795 179.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.21 -30.6 50.46 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.499 -0.751 . . . . 0.0 110.29 -179.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.57 -29.64 63.72 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.105 -0.997 . . . . 0.0 110.046 -179.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.41 -42.06 59.84 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.04 -1.038 . . . . 0.0 109.718 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -59.81 -36.41 76.7 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.179 -0.951 . . . . 0.0 108.875 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.59 -40.25 96.47 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.437 -0.79 . . . . 0.0 109.405 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.3 -34.12 66.18 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.185 -0.947 . . . . 0.0 109.14 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.6 tp -68.0 -36.45 80.02 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.226 -0.921 . . . . 0.0 109.169 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.457 ' O ' ' OG1' ' A' ' 19' ' ' THR . 47.7 t60 -76.63 -36.63 57.29 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.017 -1.052 . . . . 0.0 110.715 -179.674 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -76.87 -31.64 56.93 Favored 'General case' 0 C--N 1.294 -1.844 0 O-C-N 121.027 -1.046 . . . . 0.0 111.455 -178.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 64.3 mt -79.23 -29.16 42.61 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 120.642 -1.286 . . . . 0.0 111.289 -179.035 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.499 ' O ' ' SD ' ' A' ' 18' ' ' MET . 25.2 tpp -101.93 -3.92 27.03 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 120.829 -1.169 . . . . 0.0 110.395 -178.461 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.457 ' OG1' ' O ' ' A' ' 15' ' ' HIS . 20.2 m -89.9 -23.0 21.73 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.642 -1.286 . . . . 0.0 109.461 179.324 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 161.03 -52.45 0.34 Allowed Glycine 0 N--CA 1.491 2.322 0 C-N-CA 119.47 -1.347 . . . . 0.0 110.495 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.4 mmtm -51.0 135.46 24.73 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.051 -1.264 . . . . 0.0 109.226 -179.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 38.2 mtp180 -93.7 -13.23 27.72 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.232 -0.918 . . . . 0.0 110.793 -179.175 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.9 p -129.65 151.65 36.14 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.376 0 O-C-N 121.189 -0.944 . . . . 0.0 110.943 -178.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -148.49 152.23 36.52 Favored 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.4 p -125.05 155.6 39.52 Favored 'General case' 0 N--CA 1.503 2.181 0 O-C-N 121.309 -0.869 . . . . 0.0 109.796 -179.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.8 t -143.98 135.01 21.82 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.959 0 O-C-N 121.293 -0.879 . . . . 0.0 108.904 179.071 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -89.54 102.55 15.23 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.209 -0.932 . . . . 0.0 109.187 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.445 ' HZ2' ' CG2' ' A' ' 33' ' ' VAL . 19.0 mtmm -125.33 125.67 43.85 Favored 'General case' 0 N--CA 1.5 2.054 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 179.533 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 31' ' ' ARG . 20.7 t70 52.88 57.95 5.84 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.298 -0.877 . . . . 0.0 109.38 -179.313 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 44.97 21.43 0.33 Allowed Glycine 0 N--CA 1.493 2.445 0 N-CA-C 110.164 -1.174 . . . . 0.0 110.164 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 29' ' ' ASP . 43.5 ttp180 -125.37 146.61 49.51 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.139 -1.212 . . . . 0.0 110.081 -179.615 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 72.8 mtm180 -104.56 134.51 47.62 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 179.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.445 ' CG2' ' HZ2' ' A' ' 28' ' ' LYS . 46.5 t -128.69 145.25 35.9 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.188 0 O-C-N 121.202 -0.936 . . . . 0.0 109.037 179.465 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -103.77 153.23 20.95 Favored 'General case' 0 N--CA 1.498 1.953 0 CA-C-O 121.696 0.76 . . . . 0.0 110.651 -178.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -140.28 136.35 33.2 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 179.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 38' ' ' THR . 10.0 p -117.51 152.69 34.55 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.452 -0.78 . . . . 0.0 109.459 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.27 -18.36 0.05 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.421 -0.799 . . . . 0.0 110.663 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.434 ' N ' ' O ' ' A' ' 36' ' ' THR . 4.3 p -72.31 -23.29 61.15 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.75 -1.219 . . . . 0.0 110.224 -179.289 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.441 ' C ' ' H ' ' A' ' 41' ' ' SER . 93.6 p -110.42 16.99 21.27 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 121.114 -0.991 . . . . 0.0 109.769 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.1 p -52.26 -11.72 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.298 -0.876 . . . . 0.0 109.592 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.441 ' H ' ' C ' ' A' ' 39' ' ' SER . 48.3 t -84.79 -53.31 5.43 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.962 -1.086 . . . . 0.0 110.776 -179.492 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.524 ' OD1' ' N ' ' A' ' 42' ' ' ASP . 0.0 OUTLIER -60.01 -23.36 63.6 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.759 -1.213 . . . . 0.0 109.024 -179.219 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.3 tp -75.13 -40.53 59.69 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 120.819 -1.175 . . . . 0.0 108.116 178.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttt -51.22 -36.77 43.28 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.088 -1.007 . . . . 0.0 108.751 179.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -71.25 -45.58 62.9 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.143 -0.973 . . . . 0.0 110.329 -179.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -55.08 -27.63 46.38 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.196 -0.94 . . . . 0.0 109.634 -179.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 85.1 mt -78.82 -32.47 15.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.067 -1.021 . . . . 0.0 108.875 179.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.84 -48.35 38.45 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.349 -0.845 . . . . 0.0 110.324 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -58.73 -42.43 88.74 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.949 -1.094 . . . . 0.0 110.216 -179.064 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 38.2 mt -62.23 -32.44 73.12 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 120.731 -1.231 . . . . 0.0 109.197 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -63.74 -29.97 71.12 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.856 -1.153 . . . . 0.0 109.345 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 70.2 t -83.31 -20.79 9.11 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 120.947 -1.096 . . . . 0.0 109.751 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -89.93 -8.8 50.93 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.03 -1.044 . . . . 0.0 108.814 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.465 ' HG1' ' H ' ' A' ' 3' ' ' ARG . 0.7 OUTLIER -123.77 -27.09 4.02 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 -179.85 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -77.28 -168.54 30.36 Favored Glycine 0 N--CA 1.489 2.184 0 N-CA-C 109.204 -1.559 . . . . 0.0 109.204 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 15.5 tpt -158.36 69.6 0.51 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.751 -1.441 . . . . 0.0 109.532 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.5 t -142.89 170.6 15.39 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.197 -0.939 . . . . 0.0 109.447 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -173.58 60.64 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.396 0 C-N-CA 120.015 -0.674 . . . . 0.0 109.262 178.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 51.7 mtp180 -148.3 4.89 0.72 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.148 -0.97 . . . . 0.0 109.584 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 10.8 mtm180 -58.3 -11.22 2.53 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.18 -0.95 . . . . 0.0 109.381 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 51.18 -164.66 0.05 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.252 -0.905 . . . . 0.0 109.428 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.243 0 CA-C-O 117.948 -1.473 . . . . 0.0 109.534 -179.974 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.613 ' N ' ' NH1' ' A' ' 3' ' ' ARG . 64.7 mtt . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.523 ' C ' ' H ' ' A' ' 4' ' ' GLN . 2.7 m -143.88 84.14 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 O-C-N 121.172 -0.955 . . . . 0.0 109.541 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.613 ' NH1' ' N ' ' A' ' 1' ' ' MET . 10.5 mpt_? -73.62 15.09 0.29 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.822 -1.174 . . . . 0.0 108.949 179.495 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.523 ' H ' ' C ' ' A' ' 2' ' ' VAL . 83.5 mt-30 -42.97 -39.2 2.52 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.495 -0.753 . . . . 0.0 110.964 -179.481 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.47 ' CD ' ' N ' ' A' ' 5' ' ' GLU . 15.4 mp0 -74.68 -76.06 0.15 Allowed 'General case' 0 N--CA 1.5 2.044 0 O-C-N 120.799 -1.188 . . . . 0.0 110.388 -179.088 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -47.52 -32.68 5.52 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.21 -0.931 . . . . 0.0 109.904 -179.255 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 16.5 tp -55.96 -50.96 69.35 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.122 -0.986 . . . . 0.0 108.684 179.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.46 -39.58 70.55 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.63 -0.669 . . . . 0.0 110.841 -178.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.34 -28.61 62.15 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.045 -1.034 . . . . 0.0 111.265 -178.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.17 -51.03 50.47 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.922 -1.111 . . . . 0.0 110.676 -178.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.4 ptt180 -60.81 -35.79 77.4 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 120.872 -1.143 . . . . 0.0 108.691 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.43 -34.34 68.85 Favored 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 179.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.34 -41.87 98.93 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 179.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 22.5 tp -56.48 -34.78 67.24 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.152 -0.967 . . . . 0.0 108.893 179.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.45 ' O ' ' OG1' ' A' ' 19' ' ' THR . 83.5 t60 -76.63 -38.44 54.69 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.16 -0.962 . . . . 0.0 110.873 -179.291 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -76.9 -30.96 56.39 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 120.91 -1.119 . . . . 0.0 111.496 -178.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 75.5 mt -78.49 -29.14 46.54 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 120.726 -1.234 . . . . 0.0 110.955 -179.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.443 ' O ' ' CG ' ' A' ' 18' ' ' MET . 21.7 ttm -102.67 0.18 32.74 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 120.93 -1.106 . . . . 0.0 110.596 -178.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.45 ' OG1' ' O ' ' A' ' 15' ' ' HIS . 14.4 m -92.88 -23.61 18.73 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.898 -1.126 . . . . 0.0 109.489 179.592 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 171.58 -79.18 0.09 OUTLIER Glycine 0 N--CA 1.491 2.345 0 C-N-CA 119.608 -1.282 . . . . 0.0 110.061 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.3 mtpt -48.48 138.06 10.78 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.211 -1.17 . . . . 0.0 109.392 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 65.0 mtm180 -93.14 -13.84 27.95 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.256 -0.902 . . . . 0.0 110.249 -179.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 42.5 t -109.2 151.01 11.63 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.196 0 O-C-N 121.231 -0.918 . . . . 0.0 111.092 -178.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.36 152.38 33.05 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 107.845 -1.168 . . . . 0.0 107.845 178.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 17.7 p -122.19 149.19 43.98 Favored 'General case' 0 N--CA 1.505 2.302 0 O-C-N 121.136 -0.977 . . . . 0.0 110.828 -178.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.4 t -146.27 134.51 15.91 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 178.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -88.0 103.52 15.78 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.252 -0.905 . . . . 0.0 109.209 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.4 mtmm -131.04 146.03 52.24 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.448 -0.782 . . . . 0.0 109.138 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.539 ' O ' ' N ' ' A' ' 31' ' ' ARG . 6.1 m-20 50.68 47.38 24.46 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.407 -0.808 . . . . 0.0 110.377 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 45.8 13.2 0.05 OUTLIER Glycine 0 N--CA 1.493 2.489 0 O-C-N 120.962 -1.086 . . . . 0.0 110.386 179.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.539 ' N ' ' O ' ' A' ' 29' ' ' ASP . 32.3 ttm180 -125.03 142.83 51.24 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.113 -1.228 . . . . 0.0 110.023 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -76.96 134.59 38.84 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.624 -0.672 . . . . 0.0 109.232 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.8 t -130.57 147.47 33.14 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.314 0 O-C-N 121.245 -0.909 . . . . 0.0 109.127 179.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -119.97 154.3 34.7 Favored 'General case' 0 N--CA 1.501 2.114 0 CA-C-O 121.732 0.777 . . . . 0.0 110.613 -179.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -138.93 136.66 35.69 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 38' ' ' THR . 5.6 p -118.17 153.52 33.7 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.46 -0.775 . . . . 0.0 109.069 179.525 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.3 -18.98 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.328 -0.857 . . . . 0.0 110.779 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 36' ' ' THR . 5.5 m -69.46 -23.44 63.66 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.772 -1.205 . . . . 0.0 110.461 -179.155 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.412 ' C ' ' H ' ' A' ' 41' ' ' SER . 88.1 p -111.14 17.16 20.61 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.189 -0.944 . . . . 0.0 109.967 -179.739 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.5 p -52.67 -12.4 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 121.256 -0.903 . . . . 0.0 109.871 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.412 ' H ' ' C ' ' A' ' 39' ' ' SER . 40.9 t -85.09 -53.02 5.54 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.896 -1.127 . . . . 0.0 110.738 -179.632 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' A' ' 42' ' ' ASP . 0.0 OUTLIER -61.27 -23.57 65.76 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.904 -1.122 . . . . 0.0 109.044 -179.294 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.8 tp -74.21 -43.17 58.19 Favored 'General case' 0 N--CA 1.486 1.33 0 O-C-N 120.769 -1.207 . . . . 0.0 108.244 179.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 25.4 mttp -51.86 -35.01 43.43 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.102 -0.999 . . . . 0.0 109.288 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -74.96 -30.73 61.29 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.055 -1.028 . . . . 0.0 110.082 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -66.53 -28.76 68.8 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.299 -0.875 . . . . 0.0 109.629 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 97.1 mt -79.98 -35.14 15.78 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 121.157 -0.964 . . . . 0.0 109.146 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.54 -44.4 57.62 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.319 -0.863 . . . . 0.0 109.924 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -61.85 -34.46 76.01 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.148 -0.97 . . . . 0.0 110.451 -179.181 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 46.3 mt -70.7 -33.02 70.45 Favored 'General case' 0 N--CA 1.5 2.046 0 C-N-CA 118.599 -1.24 . . . . 0.0 109.389 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -63.13 -29.86 71.13 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.74 -1.225 . . . . 0.0 108.759 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 72.4 t -83.01 -20.48 9.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.085 -1.009 . . . . 0.0 109.78 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -92.75 -8.68 43.11 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.042 -1.036 . . . . 0.0 109.607 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -118.81 -15.54 9.4 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 -179.577 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -72.37 -55.28 6.99 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.233 -1.547 . . . . 0.0 109.233 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 37.7 ttp -172.48 154.09 3.06 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.224 -1.162 . . . . 0.0 108.898 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.407 ' CG2' ' N ' ' A' ' 58' ' ' GLN . 13.9 t -171.38 -39.1 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.579 -1.326 . . . . 0.0 109.488 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.407 ' N ' ' CG2' ' A' ' 57' ' ' THR . 43.4 tt0 -46.62 -39.1 10.62 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.435 -0.791 . . . . 0.0 109.784 -179.38 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -76.9 137.71 39.29 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.252 -0.905 . . . . 0.0 109.559 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 40.6 mtp180 -146.76 60.89 1.2 Allowed 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.288 -0.882 . . . . 0.0 109.313 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -53.08 -45.63 68.26 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.196 -0.94 . . . . 0.0 109.518 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.235 0 CA-C-O 118.046 -1.419 . . . . 0.0 109.582 179.999 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.703 ' H3 ' HH12 ' A' ' 3' ' ' ARG . 28.4 ttt . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.557 ' CG2' HE21 ' A' ' 4' ' ' GLN . 27.0 m -143.82 113.9 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 121.242 -0.911 . . . . 0.0 109.167 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.703 HH12 ' H3 ' ' A' ' 1' ' ' MET . 10.1 mpt_? -83.38 28.03 0.56 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.7 -1.25 . . . . 0.0 109.244 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.557 HE21 ' CG2' ' A' ' 2' ' ' VAL . 33.0 mt-30 -44.83 -48.13 11.02 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.313 -0.867 . . . . 0.0 110.601 -179.553 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.461 ' CD ' ' N ' ' A' ' 5' ' ' GLU . 2.0 mp0 -63.77 -51.27 65.58 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.131 -0.98 . . . . 0.0 111.0 -178.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -66.91 -38.27 85.92 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.013 -1.055 . . . . 0.0 109.451 -179.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 tt -51.16 -54.76 22.38 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.265 -0.897 . . . . 0.0 108.655 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.95 -39.95 63.31 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.481 -0.762 . . . . 0.0 110.107 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.88 -41.66 91.31 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.15 -0.969 . . . . 0.0 110.055 -179.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.12 -37.72 77.88 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.119 -0.988 . . . . 0.0 109.989 -179.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 44.8 mtp180 -63.04 -39.54 95.03 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.073 -1.017 . . . . 0.0 109.073 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.82 -32.21 69.17 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.415 -0.803 . . . . 0.0 109.579 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.35 -38.45 84.85 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.207 -0.933 . . . . 0.0 109.376 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 36.5 tp -60.16 -32.95 71.53 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.078 -1.014 . . . . 0.0 109.146 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.453 ' O ' ' OG1' ' A' ' 19' ' ' THR . 41.4 t60 -76.99 -39.2 51.31 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.204 -0.935 . . . . 0.0 110.835 -179.556 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.411 ' O ' ' O ' ' A' ' 21' ' ' LYS . 27.8 t70 -76.04 -31.51 58.87 Favored 'General case' 0 C--N 1.296 -1.749 0 O-C-N 120.881 -1.137 . . . . 0.0 111.419 -178.116 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 90.7 mt -78.54 -28.39 46.08 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.78 -1.2 . . . . 0.0 111.186 -178.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 26.1 ttm -104.24 -4.56 22.86 Favored 'General case' 0 N--CA 1.505 2.298 0 O-C-N 120.744 -1.223 . . . . 0.0 111.189 -178.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.453 ' OG1' ' O ' ' A' ' 15' ' ' HIS . 55.3 m -92.19 -23.2 19.45 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.727 -1.233 . . . . 0.0 110.026 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 164.79 -73.45 0.18 Allowed Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.481 -1.448 . . . . 0.0 109.481 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' A' ' 16' ' ' ASP . 18.7 ttmt -47.14 127.66 10.71 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.271 -1.135 . . . . 0.0 108.819 179.622 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 -93.19 -14.45 27.11 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.254 -0.904 . . . . 0.0 111.134 -178.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.7 t -107.88 144.7 16.15 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.34 0 O-C-N 121.002 -1.061 . . . . 0.0 111.247 -178.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -150.93 152.67 33.94 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 179.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 40.3 p -126.32 153.46 44.83 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.387 -0.821 . . . . 0.0 109.631 -179.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.9 t -141.5 135.12 30.67 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.05 0 O-C-N 121.163 -0.96 . . . . 0.0 108.984 179.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -84.3 103.54 13.57 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.216 -0.928 . . . . 0.0 109.228 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.4 mtmt -133.23 129.77 38.14 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.514 -0.741 . . . . 0.0 109.1 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.527 ' O ' ' N ' ' A' ' 31' ' ' ARG . 30.4 m-20 52.21 53.85 11.74 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.295 -0.878 . . . . 0.0 110.16 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 45.35 14.42 0.06 OUTLIER Glycine 0 N--CA 1.492 2.429 0 N-CA-C 110.435 -1.066 . . . . 0.0 110.435 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.527 ' N ' ' O ' ' A' ' 29' ' ' ASP . 40.8 ttp180 -124.67 130.18 51.93 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.049 -1.265 . . . . 0.0 109.924 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.0 ptp180 -89.04 135.12 33.73 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 46.9 t -124.9 151.63 30.62 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.279 0 O-C-N 121.3 -0.875 . . . . 0.0 109.267 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -109.2 152.57 24.98 Favored 'General case' 0 N--CA 1.5 2.029 0 CA-C-O 121.659 0.742 . . . . 0.0 110.334 -179.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -141.13 135.64 31.08 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 38' ' ' THR . 4.6 p -119.84 154.17 34.7 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.524 -0.735 . . . . 0.0 109.156 179.461 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -44.88 -18.45 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.267 -0.895 . . . . 0.0 110.748 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.471 ' N ' ' O ' ' A' ' 36' ' ' THR . 5.8 m -67.06 -23.1 65.84 Favored 'General case' 0 N--CA 1.486 1.347 0 O-C-N 120.746 -1.221 . . . . 0.0 110.198 -179.389 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.49 ' C ' ' H ' ' A' ' 41' ' ' SER . 92.9 p -114.07 16.98 18.06 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.175 -0.953 . . . . 0.0 110.589 -179.515 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.8 p -51.46 -10.92 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 120.981 -1.074 . . . . 0.0 109.358 179.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.49 ' H ' ' C ' ' A' ' 39' ' ' SER . 45.1 t -85.54 -52.54 5.76 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.064 -1.023 . . . . 0.0 110.893 -179.424 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' A' ' 42' ' ' ASP . 0.0 OUTLIER -64.63 -24.55 67.62 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.794 -1.191 . . . . 0.0 109.321 -179.102 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.1 tp -73.83 -44.11 56.7 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 120.653 -1.28 . . . . 0.0 107.725 178.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -51.69 -31.09 24.6 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 52.4 tttm -76.05 -39.77 54.77 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.454 -0.779 . . . . 0.0 109.755 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -60.66 -29.48 69.31 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.353 -0.842 . . . . 0.0 109.644 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 90.0 mt -77.94 -39.47 25.76 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.155 -0.966 . . . . 0.0 109.414 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.18 -40.33 71.32 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.194 -0.941 . . . . 0.0 109.899 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -62.2 -33.51 74.69 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.159 -0.963 . . . . 0.0 110.225 -179.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 48.6 mt -70.8 -31.81 68.69 Favored 'General case' 0 N--CA 1.498 1.962 0 C-N-CA 118.412 -1.315 . . . . 0.0 108.641 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -63.21 -29.76 71.03 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.027 -1.046 . . . . 0.0 109.34 179.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 75.6 t -83.9 -20.79 8.79 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 120.986 -1.071 . . . . 0.0 110.613 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -92.38 -9.56 41.31 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.788 -1.195 . . . . 0.0 109.335 -179.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -125.06 -40.95 2.12 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -87.55 -175.33 48.52 Favored Glycine 0 N--CA 1.493 2.46 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 3.0 tpt -157.68 61.91 0.48 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.938 -1.331 . . . . 0.0 109.325 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.585 ' HG1' ' H ' ' A' ' 58' ' ' GLN . 13.5 t -82.92 -139.29 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.277 -0.889 . . . . 0.0 109.256 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.585 ' H ' ' HG1' ' A' ' 57' ' ' THR . 28.6 tp60 78.13 104.05 0.07 Allowed 'General case' 0 N--CA 1.489 1.494 0 CA-C-O 121.3 0.571 . . . . 0.0 109.47 179.597 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 31.9 ptt180 -161.24 158.63 27.57 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.195 -0.941 . . . . 0.0 109.455 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -70.27 176.02 4.22 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.229 -0.919 . . . . 0.0 109.361 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -90.76 -57.15 2.92 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.169 -0.957 . . . . 0.0 109.417 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.318 0 CA-C-O 118.037 -1.424 . . . . 0.0 109.555 -179.962 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.56 ' H2 ' ' NH1' ' A' ' 3' ' ' ARG . 76.2 mtp . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.421 ' CG2' ' O ' ' A' ' 2' ' ' VAL . 18.0 m -143.49 112.8 2.03 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 121.182 -0.949 . . . . 0.0 109.098 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.56 ' NH1' ' H2 ' ' A' ' 1' ' ' MET . 9.7 mpt_? -83.97 37.35 0.6 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.78 -1.2 . . . . 0.0 109.305 -179.613 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -50.27 -48.76 54.74 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.285 -0.884 . . . . 0.0 110.548 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -66.21 -47.14 74.83 Favored 'General case' 0 N--CA 1.506 2.357 0 O-C-N 121.13 -0.981 . . . . 0.0 110.899 -178.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -70.38 -39.26 74.68 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.761 -1.212 . . . . 0.0 109.522 -178.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 15.5 tp -50.77 -53.93 27.68 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.322 -0.861 . . . . 0.0 108.776 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.9 -42.71 69.02 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.469 -0.77 . . . . 0.0 109.975 -179.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.29 -34.3 77.38 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.205 -0.934 . . . . 0.0 110.021 -179.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.68 -43.02 81.13 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.056 -1.028 . . . . 0.0 109.823 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 57.6 mtp180 -58.52 -38.23 77.3 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.156 -0.965 . . . . 0.0 109.095 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.33 -37.6 81.13 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.463 -0.773 . . . . 0.0 109.407 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.57 -38.25 80.65 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.229 -0.919 . . . . 0.0 109.241 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.1 tp -64.47 -34.1 77.43 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.192 -0.943 . . . . 0.0 108.821 179.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.455 ' O ' ' OG1' ' A' ' 19' ' ' THR . 37.0 t60 -76.12 -40.43 52.86 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.263 -0.898 . . . . 0.0 110.715 -179.599 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -76.75 -31.16 56.89 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 120.87 -1.144 . . . . 0.0 111.595 -178.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 75.7 mt -77.07 -28.24 54.6 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 120.61 -1.306 . . . . 0.0 110.894 -179.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.449 ' CG ' ' O ' ' A' ' 18' ' ' MET . 19.3 ttm -102.79 0.86 33.39 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.006 -1.059 . . . . 0.0 110.482 -179.164 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.455 ' OG1' ' O ' ' A' ' 15' ' ' HIS . 53.1 m -102.6 -24.07 13.81 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.141 -0.975 . . . . 0.0 110.184 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 171.84 -79.39 0.09 OUTLIER Glycine 0 N--CA 1.492 2.38 0 C-N-CA 119.413 -1.375 . . . . 0.0 110.352 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 66.4 mttt -46.1 107.36 0.1 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.201 -1.176 . . . . 0.0 109.656 -179.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.567 ' NH1' ' CB ' ' A' ' 37' ' ' ALA . 17.3 mmm180 -72.15 -14.85 61.93 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.425 -0.797 . . . . 0.0 110.065 -179.319 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 45.6 t -109.38 149.18 12.65 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.17 0 O-C-N 121.32 -0.862 . . . . 0.0 110.569 -179.106 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.65 152.42 32.8 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.9 p -125.38 154.68 41.52 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.385 -0.822 . . . . 0.0 109.774 -179.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.8 t -141.21 134.78 31.4 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.015 0 O-C-N 121.174 -0.954 . . . . 0.0 108.746 178.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -86.74 107.58 18.31 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.142 -0.974 . . . . 0.0 109.307 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.54 ' NZ ' ' CZ ' ' A' ' 46' ' ' TYR . 38.4 mtpt -133.63 120.7 21.02 Favored 'General case' 0 N--CA 1.499 2.015 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.526 ' O ' ' N ' ' A' ' 31' ' ' ARG . 23.7 t70 53.18 58.69 5.03 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.341 -0.849 . . . . 0.0 109.874 -179.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 45.48 15.09 0.08 OUTLIER Glycine 0 N--CA 1.491 2.359 0 N-CA-C 110.249 -1.14 . . . . 0.0 110.249 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.526 ' N ' ' O ' ' A' ' 29' ' ' ASP . 42.4 ttp180 -120.11 131.83 55.2 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.219 -1.165 . . . . 0.0 109.854 -179.669 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.46 ' HG2' HH11 ' A' ' 32' ' ' ARG . 13.6 mtt-85 -101.25 134.6 44.05 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 59.8 t -125.58 144.73 34.63 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.228 0 O-C-N 121.266 -0.896 . . . . 0.0 109.166 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.469 ' N ' ' CD ' ' A' ' 34' ' ' GLU . 3.1 mp0 -102.38 147.14 27.07 Favored 'General case' 0 N--CA 1.497 1.892 0 CA-C-O 121.682 0.754 . . . . 0.0 110.62 -179.165 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -134.31 136.01 43.19 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 179.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.469 ' O ' ' N ' ' A' ' 38' ' ' THR . 7.2 p -118.09 153.66 33.39 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.451 -0.78 . . . . 0.0 109.297 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.567 ' CB ' ' NH1' ' A' ' 22' ' ' ARG . . . -45.21 -17.9 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.42 -0.8 . . . . 0.0 110.655 -179.697 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.469 ' N ' ' O ' ' A' ' 36' ' ' THR . 3.2 p -68.54 -23.74 64.55 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.751 -1.218 . . . . 0.0 110.109 -179.376 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.51 ' C ' ' H ' ' A' ' 41' ' ' SER . 89.1 p -113.03 16.36 19.35 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 121.161 -0.962 . . . . 0.0 110.172 -179.685 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.2 p -49.84 -11.38 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.775 0 O-C-N 120.88 -1.137 . . . . 0.0 109.385 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.646 ' HG ' ' H ' ' A' ' 42' ' ' ASP . 94.0 p -84.91 -52.92 5.66 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.03 -1.044 . . . . 0.0 110.621 -179.634 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.646 ' H ' ' HG ' ' A' ' 41' ' ' SER . 30.0 p-10 -61.41 -25.7 67.37 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.849 -1.157 . . . . 0.0 109.693 -179.209 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.54 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 7.9 tp -74.09 -40.37 62.79 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 178.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -51.65 -35.9 44.04 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.35 -0.844 . . . . 0.0 108.912 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -73.35 -45.59 54.2 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.175 -0.953 . . . . 0.0 109.88 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.54 ' CZ ' ' NZ ' ' A' ' 28' ' ' LYS . 45.3 t80 -52.16 -29.77 23.65 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.282 -0.886 . . . . 0.0 109.39 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.42 HG23 HD11 ' A' ' 47' ' ' ILE . 86.5 mt -77.47 -35.24 21.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.26 -0.9 . . . . 0.0 109.188 179.624 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.25 -42.59 62.35 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.21 -0.932 . . . . 0.0 110.0 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -61.16 -35.08 76.14 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.178 -0.951 . . . . 0.0 110.407 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 55.4 mt -71.55 -31.97 67.6 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.525 -1.359 . . . . 0.0 109.143 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -61.98 -29.74 70.45 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.852 -1.155 . . . . 0.0 108.936 179.306 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 69.9 t -83.19 -20.68 9.24 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.051 -1.031 . . . . 0.0 109.781 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -91.83 -7.98 47.9 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.144 -0.972 . . . . 0.0 109.282 -179.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -122.64 -16.12 7.31 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 -179.461 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 76.56 -136.21 18.73 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.615 -1.394 . . . . 0.0 109.615 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 13.8 tpt 57.6 60.63 2.75 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.755 -1.438 . . . . 0.0 109.533 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.657 ' HG1' ' H ' ' A' ' 58' ' ' GLN . 13.7 t -93.23 -162.09 0.9 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.219 -0.926 . . . . 0.0 109.284 179.718 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.657 ' H ' ' HG1' ' A' ' 57' ' ' THR . 28.9 tt0 -173.05 -27.45 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.467 -0.771 . . . . 0.0 109.487 178.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -66.16 -165.1 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.257 -0.902 . . . . 0.0 109.47 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -162.56 -103.12 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.339 -0.85 . . . . 0.0 109.369 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 24.9 ttm180 52.6 45.99 27.57 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.965 -1.085 . . . . 0.0 109.266 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.328 0 CA-C-O 117.997 -1.446 . . . . 0.0 109.501 -179.872 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.534 ' H1 ' HH12 ' A' ' 3' ' ' ARG . 67.7 mtt . . . . . 0 N--CA 1.489 1.508 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.473 ' H ' ' H3 ' ' A' ' 1' ' ' MET . 26.9 m -143.45 98.69 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 121.319 -0.863 . . . . 0.0 109.201 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.534 HH12 ' H1 ' ' A' ' 1' ' ' MET . 10.1 mpt_? -82.81 29.15 0.46 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.656 -1.277 . . . . 0.0 109.008 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.405 ' H ' ' C ' ' A' ' 2' ' ' VAL . 37.3 mm-40 -45.01 -43.17 8.97 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.532 -0.73 . . . . 0.0 110.471 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -72.54 -58.86 3.05 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 121.097 -1.002 . . . . 0.0 110.31 -179.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -57.68 -37.4 73.37 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.941 -1.1 . . . . 0.0 109.126 -179.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 14.3 tp -51.11 -54.23 27.01 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.465 -0.772 . . . . 0.0 108.937 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.02 -35.97 62.51 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.423 -0.798 . . . . 0.0 109.984 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.19 -28.9 67.67 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.154 -0.966 . . . . 0.0 110.009 -179.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.21 -43.52 64.36 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.059 -1.026 . . . . 0.0 109.795 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.466 HH11 ' HG2' ' A' ' 11' ' ' ARG . 14.9 mtt-85 -58.89 -32.45 69.51 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.111 -0.993 . . . . 0.0 108.875 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.68 -40.57 88.6 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.416 -0.803 . . . . 0.0 109.715 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.23 -34.15 70.11 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.118 -0.989 . . . . 0.0 109.438 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.9 tp -68.58 -34.34 75.63 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.131 -0.981 . . . . 0.0 108.95 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.462 ' O ' ' OG1' ' A' ' 19' ' ' THR . 64.1 m80 -76.89 -40.05 48.83 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.258 -0.901 . . . . 0.0 110.583 -179.574 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -76.15 -29.88 57.94 Favored 'General case' 0 C--N 1.295 -1.774 0 O-C-N 120.886 -1.134 . . . . 0.0 111.379 -178.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 50.8 mt -78.86 -29.6 44.62 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 120.636 -1.29 . . . . 0.0 110.933 -179.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.45 ' O ' ' CG ' ' A' ' 18' ' ' MET . 21.0 ttm -102.37 0.08 33.47 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 120.851 -1.156 . . . . 0.0 110.615 -178.683 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.462 ' OG1' ' O ' ' A' ' 15' ' ' HIS . 23.8 m -96.35 -22.7 17.03 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.033 -1.042 . . . . 0.0 109.551 179.544 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 166.8 -65.31 0.2 Allowed Glycine 0 N--CA 1.493 2.45 0 C-N-CA 119.675 -1.25 . . . . 0.0 110.006 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.446 ' CD ' ' N ' ' A' ' 21' ' ' LYS . 12.7 mptt -46.24 131.46 10.37 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.227 -1.16 . . . . 0.0 109.43 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -93.98 -13.58 26.85 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.335 -0.853 . . . . 0.0 110.221 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.2 p -121.61 147.77 25.4 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.356 0 O-C-N 121.391 -0.818 . . . . 0.0 111.047 -178.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -149.97 152.43 34.92 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 179.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 46.9 p -139.34 145.41 39.01 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.144 -0.972 . . . . 0.0 109.99 -179.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.8 m -146.62 170.36 4.59 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.25 -0.906 . . . . 0.0 108.683 178.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -84.1 130.44 34.86 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.118 -0.989 . . . . 0.0 109.604 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -135.48 101.21 4.73 Favored 'General case' 0 N--CA 1.503 2.211 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 179.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.543 ' C ' ' H ' ' A' ' 31' ' ' ARG . 81.7 m-20 50.84 54.78 10.62 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.346 -0.846 . . . . 0.0 110.229 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 66.71 -21.85 0.18 Allowed Glycine 0 N--CA 1.493 2.464 0 O-C-N 120.959 -1.088 . . . . 0.0 110.694 179.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.543 ' H ' ' C ' ' A' ' 29' ' ' ASP . 12.7 mpt_? -97.88 130.01 44.8 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.646 -1.503 . . . . 0.0 109.411 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -87.83 133.52 33.87 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 71.7 t -124.17 154.07 30.88 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.105 0 CA-C-O 121.651 0.739 . . . . 0.0 109.159 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -105.28 156.2 18.36 Favored 'General case' 0 N--CA 1.499 1.993 0 CA-C-O 121.554 0.692 . . . . 0.0 109.956 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -139.02 135.47 34.29 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 38' ' ' THR . 8.8 p -118.47 152.87 35.12 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.598 -0.689 . . . . 0.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.04 -18.56 0.05 Allowed 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.35 -0.844 . . . . 0.0 110.539 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.44 ' N ' ' O ' ' A' ' 36' ' ' THR . 6.8 m -70.89 -23.5 62.3 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.761 -1.212 . . . . 0.0 110.596 -179.097 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.495 ' C ' ' H ' ' A' ' 41' ' ' SER . 99.5 p -112.59 16.2 19.81 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.052 -1.03 . . . . 0.0 109.88 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.7 p -49.58 -11.69 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.123 -0.986 . . . . 0.0 109.472 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.495 ' H ' ' C ' ' A' ' 39' ' ' SER . 94.4 p -83.78 -52.58 6.28 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.041 -1.037 . . . . 0.0 110.626 -179.779 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.564 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 54.7 p30 -59.42 -24.32 63.38 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.829 -1.169 . . . . 0.0 109.646 -179.258 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.564 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 7.6 tp -74.76 -43.1 56.64 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 120.898 -1.126 . . . . 0.0 108.415 179.198 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.8 mttp -51.6 -34.67 38.31 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.002 -1.062 . . . . 0.0 109.011 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.5 mmpt? -69.72 -41.6 75.1 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.121 -0.987 . . . . 0.0 109.451 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -58.72 -27.35 64.8 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.357 -0.839 . . . . 0.0 109.503 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 91.4 mt -80.24 -32.64 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.203 -0.936 . . . . 0.0 108.84 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.25 -45.37 56.28 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.314 -0.866 . . . . 0.0 110.289 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -62.4 -42.41 99.41 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.078 -1.014 . . . . 0.0 110.395 -179.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 36.5 mt -61.91 -33.33 74.04 Favored 'General case' 0 N--CA 1.5 2.066 0 C-N-CA 118.702 -1.199 . . . . 0.0 109.438 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -65.51 -29.81 70.49 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.701 -1.25 . . . . 0.0 109.183 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 68.7 t -82.92 -20.28 9.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 120.997 -1.064 . . . . 0.0 109.579 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -91.63 -8.2 47.9 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.075 -1.016 . . . . 0.0 109.261 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.29 -33.31 3.7 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 -179.591 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -88.44 61.15 3.92 Favored Glycine 0 N--CA 1.493 2.5 0 N-CA-C 109.296 -1.522 . . . . 0.0 109.296 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 9.2 ttt -54.16 157.46 2.61 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.338 -1.095 . . . . 0.0 109.458 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.3 t -154.6 -160.47 1.08 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.701 -1.249 . . . . 0.0 109.206 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -172.02 156.03 3.94 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.506 -0.746 . . . . 0.0 109.509 178.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 54.21 58.98 4.5 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.323 -0.861 . . . . 0.0 109.512 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.0 ptp180 -77.19 -162.5 0.29 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.259 -0.901 . . . . 0.0 109.484 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 44.6 ttm180 -167.22 -74.47 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.244 -0.91 . . . . 0.0 109.416 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.378 0 CA-C-O 118.008 -1.44 . . . . 0.0 109.509 -180.0 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.2 ttt . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.524 ' C ' ' H ' ' A' ' 4' ' ' GLN . 2.1 m -81.74 91.6 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.238 -0.914 . . . . 0.0 109.436 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.418 ' N ' ' CD ' ' A' ' 3' ' ' ARG . 0.5 OUTLIER -70.98 13.15 0.21 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.927 -1.108 . . . . 0.0 109.225 179.816 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.524 ' H ' ' C ' ' A' ' 2' ' ' VAL . 35.8 mm-40 -43.7 -35.89 2.0 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.452 -0.78 . . . . 0.0 110.899 -179.651 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.441 ' N ' ' CD ' ' A' ' 5' ' ' GLU . 20.7 mp0 -76.8 -75.83 0.19 Allowed 'General case' 0 N--CA 1.5 2.072 0 O-C-N 120.731 -1.231 . . . . 0.0 110.27 -179.387 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -46.86 -30.27 2.41 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.237 -0.915 . . . . 0.0 109.92 -179.11 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 14.3 tp -60.32 -54.35 46.71 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.112 -0.993 . . . . 0.0 108.999 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.28 -32.36 37.01 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.461 -0.774 . . . . 0.0 110.257 -179.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.17 -39.5 71.85 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.096 -1.002 . . . . 0.0 110.138 -179.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.77 -38.27 90.47 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.169 -0.957 . . . . 0.0 110.011 -179.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -63.53 -39.4 94.33 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.123 -0.986 . . . . 0.0 109.316 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.92 -33.71 72.24 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.289 -0.882 . . . . 0.0 109.586 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.79 -41.78 95.57 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.221 -0.924 . . . . 0.0 109.524 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 21.5 tp -58.77 -34.69 71.71 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.079 -1.013 . . . . 0.0 108.9 179.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.453 ' O ' ' OG1' ' A' ' 19' ' ' THR . 77.0 m80 -76.74 -49.99 14.67 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.005 -1.06 . . . . 0.0 110.738 -179.648 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -67.23 -28.09 67.77 Favored 'General case' 0 C--N 1.295 -1.773 0 C-N-CA 119.018 -1.073 . . . . 0.0 111.426 -177.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 32.0 mt -77.79 -31.73 52.04 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 120.548 -1.345 . . . . 0.0 110.316 -179.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 5.3 tpt -103.73 -0.35 29.51 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 120.982 -1.074 . . . . 0.0 110.213 -179.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.453 ' OG1' ' O ' ' A' ' 15' ' ' HIS . 51.3 m -96.62 -23.63 16.4 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.812 -1.18 . . . . 0.0 109.889 179.712 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 170.06 -78.4 0.1 OUTLIER Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.8 mtpm? -46.87 107.71 0.12 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.155 -1.203 . . . . 0.0 109.385 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 50.6 mtp180 -72.07 -15.22 62.01 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.363 -0.835 . . . . 0.0 110.266 -179.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 62.1 t -107.99 148.6 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.098 0 O-C-N 121.227 -0.921 . . . . 0.0 110.693 -178.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -152.11 152.88 32.9 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 179.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.8 m -140.96 140.17 34.36 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.019 -1.051 . . . . 0.0 110.178 -179.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.3 m -141.11 170.09 14.15 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -108.17 102.09 11.26 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.341 -0.85 . . . . 0.0 109.059 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.2 mtmt -109.11 122.98 48.44 Favored 'General case' 0 N--CA 1.5 2.034 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' A' ' 31' ' ' ARG . 40.9 m-20 53.06 58.43 5.32 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.187 -0.945 . . . . 0.0 109.944 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 48.27 9.29 0.07 OUTLIER Glycine 0 N--CA 1.491 2.356 0 C-N-CA 120.183 -1.008 . . . . 0.0 110.609 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.523 ' N ' ' O ' ' A' ' 29' ' ' ASP . 43.3 mtp180 -113.89 141.3 47.52 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.117 -1.225 . . . . 0.0 109.629 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -101.8 131.05 48.34 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 59.8 t -138.17 142.05 36.54 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.34 -0.85 . . . . 0.0 109.236 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -95.07 154.61 17.09 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.556 -0.715 . . . . 0.0 110.267 -179.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -138.61 135.08 34.57 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 179.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.465 ' O ' ' N ' ' A' ' 38' ' ' THR . 6.9 p -119.51 153.62 35.07 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.508 -0.745 . . . . 0.0 109.214 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.51 -17.87 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.326 -0.859 . . . . 0.0 110.762 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.465 ' N ' ' O ' ' A' ' 36' ' ' THR . 3.3 p -68.51 -23.45 64.54 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.682 -1.261 . . . . 0.0 110.27 -179.421 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.523 ' O ' ' N ' ' A' ' 41' ' ' SER . 96.7 p -113.82 16.52 18.43 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 121.172 -0.955 . . . . 0.0 110.188 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.6 p -48.22 -11.96 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 121.035 -1.041 . . . . 0.0 109.692 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.523 ' N ' ' O ' ' A' ' 39' ' ' SER . 45.3 t -83.87 -52.7 6.15 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.879 -1.138 . . . . 0.0 110.762 -179.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.549 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 43.5 p-10 -61.14 -24.49 66.31 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.875 -1.14 . . . . 0.0 109.829 -179.237 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.549 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 8.2 tp -74.12 -42.86 59.37 Favored 'General case' 0 N--CA 1.486 1.333 0 O-C-N 120.819 -1.176 . . . . 0.0 108.398 179.076 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.3 mttp -51.65 -36.27 45.48 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.017 -1.052 . . . . 0.0 108.705 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.6 tttm -66.98 -45.09 78.73 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.316 -0.865 . . . . 0.0 109.489 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -55.7 -29.25 59.09 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.478 -0.764 . . . . 0.0 109.547 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 86.0 mt -78.95 -34.22 16.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.253 -0.904 . . . . 0.0 109.28 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.89 -37.27 64.74 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.219 -0.926 . . . . 0.0 110.083 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -68.16 -34.43 76.3 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.175 -0.953 . . . . 0.0 110.582 -179.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 60.3 mt -71.95 -31.98 66.84 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 120.627 -1.296 . . . . 0.0 109.38 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -67.3 -29.09 68.59 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.805 -1.184 . . . . 0.0 109.461 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 69.5 t -82.03 -20.78 10.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 120.964 -1.085 . . . . 0.0 109.992 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 19.9 mm100 -92.02 -8.28 46.45 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.084 -1.01 . . . . 0.0 109.082 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -123.54 -27.02 4.1 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 -179.693 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -60.21 171.05 6.66 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.471 -1.452 . . . . 0.0 109.471 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.574 ' N ' ' SD ' ' A' ' 56' ' ' MET . 4.3 mpp? -91.54 27.41 2.0 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.946 -1.326 . . . . 0.0 109.378 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.467 ' CG2' ' N ' ' A' ' 58' ' ' GLN . 15.3 t -84.45 -140.37 0.07 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.244 -0.91 . . . . 0.0 109.206 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.467 ' N ' ' CG2' ' A' ' 57' ' ' THR . 23.2 tt0 75.56 -67.63 0.23 Allowed 'General case' 0 N--CA 1.488 1.451 0 CA-C-O 121.295 0.569 . . . . 0.0 109.496 179.383 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 53.84 48.05 22.21 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.254 -0.903 . . . . 0.0 109.366 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.557 ' CG ' HH11 ' A' ' 60' ' ' ARG . 0.0 OUTLIER -72.12 -2.06 17.21 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.216 -0.928 . . . . 0.0 109.603 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 49.86 10.85 0.05 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.265 -0.897 . . . . 0.0 109.621 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.518 ' H ' ' C ' ' A' ' 60' ' ' ARG . . . . . . . . 0 N--CA 1.491 2.303 0 CA-C-O 117.983 -1.454 . . . . 0.0 109.603 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.1 ttt . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.451 ' C ' ' H ' ' A' ' 4' ' ' GLN . 2.5 m -144.01 84.19 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 121.2 -0.937 . . . . 0.0 109.39 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.406 ' N ' ' CD ' ' A' ' 3' ' ' ARG . 11.4 mpt_? -74.21 10.37 1.28 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.889 -1.132 . . . . 0.0 109.127 179.667 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.451 ' H ' ' C ' ' A' ' 2' ' ' VAL . 22.1 mt-30 -40.73 -33.04 0.25 Allowed 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.512 -0.743 . . . . 0.0 111.278 -179.114 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.401 ' N ' ' CD ' ' A' ' 5' ' ' GLU . 9.3 mp0 -75.8 -77.07 0.14 Allowed 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.702 -1.249 . . . . 0.0 109.777 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.416 ' OE2' ' N ' ' A' ' 7' ' ' LEU . 1.7 pp20? -49.12 -39.52 28.75 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.29 -0.881 . . . . 0.0 110.235 -179.58 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.416 ' N ' ' OE2' ' A' ' 6' ' ' GLU . 5.3 tt -51.56 -49.11 62.68 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.972 -1.08 . . . . 0.0 108.868 179.358 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.38 -37.12 69.65 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.465 -0.772 . . . . 0.0 110.61 -179.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.83 -34.3 60.11 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.885 -1.134 . . . . 0.0 111.002 -178.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.95 -49.13 77.34 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.964 -1.085 . . . . 0.0 110.501 -179.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 -62.73 -36.34 82.7 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 120.886 -1.134 . . . . 0.0 108.698 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.48 -30.24 60.23 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 178.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.39 -43.83 84.78 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 179.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.3 tp -51.9 -33.68 38.01 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.273 -0.892 . . . . 0.0 108.91 179.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.501 ' CD2' ' OG1' ' A' ' 19' ' ' THR . 39.0 t-80 -76.47 -51.25 12.13 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.121 -0.987 . . . . 0.0 110.962 -179.289 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -65.55 -28.57 69.26 Favored 'General case' 0 C--N 1.293 -1.849 0 O-C-N 120.941 -1.099 . . . . 0.0 111.473 -177.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.485 ' O ' ' NH2' ' A' ' 22' ' ' ARG . 41.1 mt -77.92 -32.22 51.51 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 120.575 -1.328 . . . . 0.0 110.483 -179.313 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 2.2 tpt -104.99 -5.31 21.09 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 120.848 -1.158 . . . . 0.0 110.571 -179.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.501 ' OG1' ' CD2' ' A' ' 15' ' ' HIS . 84.6 m -91.25 -23.38 20.2 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.64 -1.287 . . . . 0.0 110.153 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.527 ' O ' ' NE ' ' A' ' 22' ' ' ARG . . . 173.87 -79.3 0.08 OUTLIER Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.833 -1.307 . . . . 0.0 109.833 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 45.1 mttm -46.97 133.45 11.18 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.239 -1.153 . . . . 0.0 109.412 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.527 ' NE ' ' O ' ' A' ' 20' ' ' GLY . 3.6 mmp_? -92.56 -15.05 27.43 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.243 -0.91 . . . . 0.0 109.896 -179.58 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.6 t -110.74 149.48 13.57 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.012 0 O-C-N 121.39 -0.819 . . . . 0.0 110.56 -179.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.62 152.87 33.43 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 179.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 22.0 p -139.33 146.42 40.26 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.146 -0.971 . . . . 0.0 110.025 -179.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.4 m -143.6 176.54 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 178.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -119.94 103.14 9.07 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.349 -0.845 . . . . 0.0 109.68 -179.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.7 mttm -104.06 109.96 21.95 Favored 'General case' 0 N--CA 1.501 2.097 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 179.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.468 ' C ' ' H ' ' A' ' 31' ' ' ARG . 5.1 m-20 52.3 53.52 12.25 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.217 -0.927 . . . . 0.0 110.253 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 63.95 -8.22 0.42 Allowed Glycine 0 N--CA 1.493 2.459 0 O-C-N 120.967 -1.083 . . . . 0.0 111.0 179.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.468 ' H ' ' C ' ' A' ' 29' ' ' ASP . 51.5 mtp180 -88.01 130.59 34.92 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 120.486 -1.597 . . . . 0.0 109.878 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.5 tpp180 -97.08 127.18 42.8 Favored 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 179.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 35.5 t -139.01 141.7 35.78 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 O-C-N 121.077 -1.015 . . . . 0.0 109.399 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.494 ' H ' ' CD ' ' A' ' 34' ' ' GLU . 4.2 mp0 -98.53 157.33 16.3 Favored 'General case' 0 N--CA 1.497 1.924 0 CA-C-O 121.632 0.729 . . . . 0.0 110.294 -179.271 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -140.68 134.82 30.93 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 179.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.461 ' O ' ' N ' ' A' ' 38' ' ' THR . 6.9 p -120.09 153.46 36.08 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.582 -0.699 . . . . 0.0 109.121 179.662 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.63 -17.84 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.251 -0.906 . . . . 0.0 110.665 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 36' ' ' THR . 3.0 p -68.13 -23.39 64.89 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.73 -1.231 . . . . 0.0 110.078 -179.398 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.523 ' O ' ' N ' ' A' ' 41' ' ' SER . 96.5 p -114.11 16.79 18.05 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.166 -0.959 . . . . 0.0 110.262 -179.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.2 p -49.03 -10.9 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 120.897 -1.127 . . . . 0.0 109.537 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.523 ' N ' ' O ' ' A' ' 39' ' ' SER . 47.7 t -83.85 -52.44 6.37 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.042 -1.036 . . . . 0.0 110.635 -179.663 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.552 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 41.9 p-10 -61.95 -26.54 68.26 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.795 -1.19 . . . . 0.0 109.971 -179.118 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.552 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 6.9 tp -73.75 -39.57 64.13 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 120.771 -1.206 . . . . 0.0 107.95 178.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -52.18 -36.35 51.51 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.479 -0.763 . . . . 0.0 108.954 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -75.5 -30.78 59.95 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.23 -0.919 . . . . 0.0 110.377 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -65.16 -30.5 71.42 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.062 -1.024 . . . . 0.0 109.968 -179.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 97.3 mt -80.47 -32.71 13.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 121.056 -1.028 . . . . 0.0 108.903 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.18 -42.02 60.54 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.325 -0.86 . . . . 0.0 109.912 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -64.48 -34.94 79.38 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.197 -0.939 . . . . 0.0 110.484 -179.081 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 55.1 mt -71.39 -32.51 68.52 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.71 -1.244 . . . . 0.0 109.492 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -64.73 -29.4 70.38 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.807 -1.183 . . . . 0.0 109.059 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 70.4 t -82.65 -20.32 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.153 -0.967 . . . . 0.0 110.331 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 -92.01 -9.37 43.11 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.752 -1.217 . . . . 0.0 109.261 -179.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -124.88 -40.83 2.15 Favored 'General case' 0 N--CA 1.494 1.737 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -93.64 -172.84 39.63 Favored Glycine 0 N--CA 1.495 2.589 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.451 ' O ' ' O ' ' A' ' 57' ' ' THR . 10.3 ttt -153.27 45.79 0.66 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.951 -1.323 . . . . 0.0 109.182 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.451 ' O ' ' O ' ' A' ' 56' ' ' MET . 0.4 OUTLIER 56.46 161.3 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.669 -0.644 . . . . 0.0 109.592 179.843 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -172.73 92.45 0.11 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.357 -0.84 . . . . 0.0 109.46 179.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -169.57 155.89 6.31 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.156 -0.965 . . . . 0.0 109.573 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 63.1 ttt180 -168.93 -22.78 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.291 -0.881 . . . . 0.0 109.461 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -60.31 -17.92 46.03 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.255 -0.903 . . . . 0.0 109.474 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.316 0 CA-C-O 117.962 -1.466 . . . . 0.0 109.526 -179.994 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.452 ' O ' ' N ' ' A' ' 3' ' ' ARG . 55.1 mtt . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.555 ' C ' ' H ' ' A' ' 4' ' ' GLN . 2.6 m -58.99 86.37 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.252 -0.905 . . . . 0.0 109.401 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 1' ' ' MET . 14.3 tpt180 -73.42 36.81 0.09 Allowed 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.699 -1.25 . . . . 0.0 109.096 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.555 ' H ' ' C ' ' A' ' 2' ' ' VAL . 26.1 mm100 -69.28 -60.28 2.44 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.462 -0.774 . . . . 0.0 112.018 -178.526 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.525 ' CD ' ' H ' ' A' ' 5' ' ' GLU . 12.3 mp0 -56.86 -48.03 79.05 Favored 'General case' 0 N--CA 1.505 2.294 0 O-C-N 120.964 -1.085 . . . . 0.0 111.619 -178.221 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -69.33 -40.41 77.6 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.699 -1.251 . . . . 0.0 109.888 -178.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.5 tp -51.22 -52.33 45.54 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.035 -1.041 . . . . 0.0 108.569 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.66 -40.92 63.33 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.397 -0.814 . . . . 0.0 109.821 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.64 -33.67 75.5 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.306 -0.871 . . . . 0.0 110.028 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.36 -41.62 76.31 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.056 -1.028 . . . . 0.0 110.067 -179.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 56.4 mtp180 -61.69 -35.76 78.93 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.058 -1.026 . . . . 0.0 109.004 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.4 ' O ' ' OD2' ' A' ' 16' ' ' ASP . . . -64.13 -33.5 75.91 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.526 -0.734 . . . . 0.0 109.5 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.65 -35.98 82.78 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.162 -0.961 . . . . 0.0 109.27 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.6 tp -65.04 -36.0 82.96 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.132 -0.98 . . . . 0.0 108.862 179.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.461 ' O ' ' OG1' ' A' ' 19' ' ' THR . 80.9 m80 -76.86 -48.7 17.61 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.966 -1.084 . . . . 0.0 110.596 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.4 ' OD2' ' O ' ' A' ' 12' ' ' ALA . 23.0 m-20 -66.48 -29.02 69.05 Favored 'General case' 0 C--N 1.292 -1.898 0 O-C-N 121.118 -0.989 . . . . 0.0 111.472 -177.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 35.3 mt -78.52 -32.27 47.94 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 120.582 -1.324 . . . . 0.0 110.415 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 6.5 tpt -103.85 -0.12 29.56 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.036 -1.04 . . . . 0.0 110.371 -178.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.461 ' OG1' ' O ' ' A' ' 15' ' ' HIS . 27.9 m -92.86 -23.82 18.68 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.838 -1.164 . . . . 0.0 109.709 179.637 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 175.94 -81.65 0.07 OUTLIER Glycine 0 N--CA 1.49 2.256 0 C-N-CA 119.558 -1.306 . . . . 0.0 110.117 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.1 mttp -49.97 137.68 16.6 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.254 -1.145 . . . . 0.0 109.206 -179.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 63.4 mtm180 -93.19 -14.65 26.86 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.377 -0.827 . . . . 0.0 110.268 -179.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 41.6 t -107.47 149.7 10.65 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.178 0 O-C-N 121.185 -0.947 . . . . 0.0 111.136 -178.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.7 153.05 33.61 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 178.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.6 p -136.61 144.05 43.89 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.12 -0.987 . . . . 0.0 110.314 -179.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.2 m -147.05 158.11 9.97 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 178.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -83.96 129.63 34.92 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.083 -1.011 . . . . 0.0 109.543 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -135.1 105.42 6.33 Favored 'General case' 0 N--CA 1.503 2.203 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.546 ' C ' ' H ' ' A' ' 31' ' ' ARG . 45.5 t0 53.13 58.18 5.55 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.219 -0.925 . . . . 0.0 110.027 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 55.36 0.17 0.11 Allowed Glycine 0 N--CA 1.492 2.39 0 N-CA-C 110.672 -0.971 . . . . 0.0 110.672 179.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.546 ' H ' ' C ' ' A' ' 29' ' ' ASP . 89.3 mtt180 -109.45 130.18 55.51 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.953 -1.322 . . . . 0.0 109.657 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.9 mtt180 -89.32 132.74 34.79 Favored 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 179.188 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 64.9 t -132.7 145.93 33.58 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 179.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -103.09 155.67 18.23 Favored 'General case' 0 N--CA 1.499 1.976 0 CA-C-O 121.585 0.707 . . . . 0.0 110.523 -178.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -137.91 135.21 35.88 Favored 'General case' 0 N--CA 1.496 1.825 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 179.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 38' ' ' THR . 7.7 p -118.87 153.93 33.74 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.506 -0.746 . . . . 0.0 109.443 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.69 -18.75 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.38 -0.825 . . . . 0.0 110.78 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 36' ' ' THR . 6.7 m -71.05 -22.4 62.13 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.714 -1.241 . . . . 0.0 110.626 -179.175 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.424 ' C ' ' H ' ' A' ' 41' ' ' SER . 86.9 p -114.37 17.71 17.33 Favored 'General case' 0 N--CA 1.505 2.283 0 O-C-N 121.177 -0.952 . . . . 0.0 109.911 -179.658 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.1 p -51.42 -12.0 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 121.346 -0.847 . . . . 0.0 110.04 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.424 ' H ' ' C ' ' A' ' 39' ' ' SER . 48.7 m -83.76 -52.88 6.03 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.766 -1.208 . . . . 0.0 110.827 -179.634 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' A' ' 42' ' ' ASP . 0.0 OUTLIER -59.28 -23.31 62.29 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.834 -1.166 . . . . 0.0 109.174 -179.306 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.1 tp -75.19 -40.79 59.02 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 120.793 -1.192 . . . . 0.0 108.001 178.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.2 mttm -51.39 -36.53 43.89 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.185 -0.947 . . . . 0.0 108.825 179.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -69.62 -45.39 68.64 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.122 -0.986 . . . . 0.0 109.652 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -53.83 -28.66 36.94 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.359 -0.838 . . . . 0.0 109.565 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.411 HG22 HD12 ' A' ' 47' ' ' ILE . 91.4 mt -78.22 -33.19 17.54 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.243 -0.911 . . . . 0.0 109.161 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.92 -41.9 61.42 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.262 -0.899 . . . . 0.0 109.992 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -64.19 -33.7 76.39 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.212 -0.93 . . . . 0.0 110.588 -178.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 59.3 mt -72.89 -32.55 65.45 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 120.703 -1.248 . . . . 0.0 109.477 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -63.83 -29.49 70.68 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.728 -1.233 . . . . 0.0 108.833 179.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 77.1 t -82.81 -20.5 9.62 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.147 -0.97 . . . . 0.0 109.738 179.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -92.47 -8.37 44.84 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.061 -1.024 . . . . 0.0 109.587 -179.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.491 ' C ' ' H ' ' A' ' 56' ' ' MET . 0.6 OUTLIER -120.04 -14.68 8.85 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 -179.442 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -50.66 -11.82 0.56 Allowed Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.354 -1.498 . . . . 0.0 109.354 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.491 ' H ' ' C ' ' A' ' 54' ' ' THR . 9.9 ttt 48.98 59.36 4.49 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.28 -1.129 . . . . 0.0 109.47 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.3 t -91.57 -161.44 0.82 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.217 -0.927 . . . . 0.0 109.19 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -172.96 100.41 0.13 Allowed 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.56 -0.713 . . . . 0.0 109.486 178.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.435 ' O ' ' O ' ' A' ' 60' ' ' ARG . 7.2 tpt180 64.1 168.14 0.16 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.256 -0.902 . . . . 0.0 109.196 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.435 ' O ' ' O ' ' A' ' 59' ' ' ARG . 36.8 mtt180 -49.04 176.45 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.213 -0.929 . . . . 0.0 109.579 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.569 ' CG ' HH11 ' A' ' 61' ' ' ARG . 3.7 mtt-85 -63.4 -44.24 95.24 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.192 -0.943 . . . . 0.0 109.454 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.3 0 CA-C-O 117.997 -1.446 . . . . 0.0 109.583 179.954 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.696 ' H2 ' HH12 ' A' ' 3' ' ' ARG . 21.8 mmt . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.533 ' C ' ' H ' ' A' ' 4' ' ' GLN . 1.6 m -143.63 100.12 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.238 -0.914 . . . . 0.0 109.282 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.696 HH12 ' H2 ' ' A' ' 1' ' ' MET . 10.6 mpt_? -70.15 13.4 0.16 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.788 -1.195 . . . . 0.0 109.374 179.773 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.533 ' H ' ' C ' ' A' ' 2' ' ' VAL . 82.7 mt-30 -43.21 -37.24 2.04 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.387 -0.821 . . . . 0.0 111.08 -179.469 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -76.51 -75.29 0.2 Allowed 'General case' 0 N--CA 1.501 2.084 0 O-C-N 120.728 -1.233 . . . . 0.0 109.896 -179.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.542 ' CD ' ' H ' ' A' ' 6' ' ' GLU . 2.0 pm0 -47.47 -33.09 5.79 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.115 -0.99 . . . . 0.0 109.679 -179.197 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 14.0 tp -55.95 -54.56 43.26 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.159 -0.963 . . . . 0.0 108.692 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.97 -33.59 38.51 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.47 -0.769 . . . . 0.0 110.235 -179.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.5 -34.96 76.81 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.119 -0.988 . . . . 0.0 110.078 -179.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.88 -39.68 79.64 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.122 -0.986 . . . . 0.0 109.954 -179.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -63.07 -35.03 78.88 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.157 -0.964 . . . . 0.0 109.101 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.69 -35.04 79.74 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.423 -0.798 . . . . 0.0 109.654 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.35 -38.52 91.46 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.053 -1.03 . . . . 0.0 109.423 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.0 tp -65.1 -34.75 79.16 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.096 -1.002 . . . . 0.0 108.806 179.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.46 ' O ' ' OG1' ' A' ' 19' ' ' THR . 15.2 t-80 -76.21 -38.73 56.07 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.197 -0.94 . . . . 0.0 110.451 -179.748 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -77.26 -35.19 55.48 Favored 'General case' 0 C--N 1.296 -1.739 0 O-C-N 120.962 -1.087 . . . . 0.0 111.38 -178.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 53.8 mt -72.98 -29.41 63.03 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 120.724 -1.235 . . . . 0.0 110.702 -179.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.459 ' CG ' ' O ' ' A' ' 18' ' ' MET . 19.6 ttm -102.32 0.87 34.87 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 120.96 -1.087 . . . . 0.0 110.571 -178.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.46 ' OG1' ' O ' ' A' ' 15' ' ' HIS . 6.5 m -94.47 -23.96 17.51 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.904 -1.123 . . . . 0.0 109.492 179.502 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 172.62 -79.42 0.08 OUTLIER Glycine 0 N--CA 1.491 2.341 0 C-N-CA 119.512 -1.327 . . . . 0.0 110.255 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.1 mtpt -47.21 137.82 7.67 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.161 -1.2 . . . . 0.0 109.468 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.03 -15.49 26.1 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.363 -0.835 . . . . 0.0 110.02 -179.538 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.2 p -109.0 148.89 12.52 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.203 0 CA-C-O 121.872 0.844 . . . . 0.0 111.495 -177.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.92 153.45 34.14 Favored 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 179.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.5 m -138.46 144.45 40.09 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.096 -1.002 . . . . 0.0 110.14 -179.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.7 m -145.38 168.47 8.33 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 121.196 -0.94 . . . . 0.0 108.88 178.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -102.0 120.01 39.72 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.334 -0.854 . . . . 0.0 108.974 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.1 mtmt -133.08 119.46 20.03 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.474 -0.766 . . . . 0.0 109.26 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.525 ' O ' ' N ' ' A' ' 31' ' ' ARG . 0.6 OUTLIER 53.08 56.94 6.83 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.337 -0.852 . . . . 0.0 110.084 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 48.73 8.64 0.07 OUTLIER Glycine 0 N--CA 1.493 2.474 0 N-CA-C 110.307 -1.117 . . . . 0.0 110.307 179.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.525 ' N ' ' O ' ' A' ' 29' ' ' ASP . 57.4 ttt180 -116.21 138.63 51.12 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.154 -1.203 . . . . 0.0 109.774 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -99.54 134.16 42.81 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.636 -0.665 . . . . 0.0 109.322 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 57.8 t -137.75 142.61 35.82 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.066 0 O-C-N 121.294 -0.879 . . . . 0.0 109.179 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -98.12 154.84 17.46 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.529 -0.732 . . . . 0.0 110.081 -179.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -136.27 136.02 39.47 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 38' ' ' THR . 8.3 p -118.16 152.73 35.08 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.587 -0.695 . . . . 0.0 109.225 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.96 -18.0 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.4 -0.813 . . . . 0.0 110.64 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 36' ' ' THR . 3.8 p -70.19 -23.65 62.99 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.668 -1.27 . . . . 0.0 110.352 -179.179 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.506 ' O ' ' N ' ' A' ' 41' ' ' SER . 94.2 p -112.32 16.12 20.1 Favored 'General case' 0 N--CA 1.503 2.214 0 O-C-N 121.181 -0.949 . . . . 0.0 109.872 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.0 p -48.95 -11.66 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.127 -0.983 . . . . 0.0 109.638 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.506 ' N ' ' O ' ' A' ' 39' ' ' SER . 47.7 t -84.45 -52.86 5.84 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.926 -1.109 . . . . 0.0 110.625 -179.728 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.556 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 46.2 p-10 -59.88 -24.71 64.49 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.87 -1.144 . . . . 0.0 109.639 -179.286 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.556 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 7.4 tp -74.64 -42.39 58.64 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.949 -1.095 . . . . 0.0 108.452 179.077 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.1 mttp -51.55 -34.44 36.65 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.061 -1.024 . . . . 0.0 108.926 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.581 ' HZ1' ' CB ' ' A' ' 45' ' ' LYS . 7.6 ttpm? -70.61 -44.16 67.84 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.118 -0.989 . . . . 0.0 109.555 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -55.16 -27.54 46.41 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.322 -0.861 . . . . 0.0 109.468 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 89.0 mt -79.37 -32.54 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.156 -0.965 . . . . 0.0 108.831 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.18 -48.21 37.19 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.378 -0.826 . . . . 0.0 110.275 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -58.87 -42.43 89.44 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.093 -1.004 . . . . 0.0 110.295 -179.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 41.6 mt -62.58 -32.37 73.34 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 120.723 -1.236 . . . . 0.0 109.254 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -64.14 -29.99 71.08 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.805 -1.184 . . . . 0.0 109.467 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 71.5 t -82.91 -20.79 9.37 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 O-C-N 120.907 -1.121 . . . . 0.0 110.068 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 48.0 mm-40 -92.47 -8.42 44.7 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.887 -1.133 . . . . 0.0 109.474 -179.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.405 ' HG1' ' H ' ' A' ' 3' ' ' ARG . 0.6 OUTLIER -118.93 -22.56 7.26 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 -179.645 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -63.98 -31.79 82.0 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.345 -1.502 . . . . 0.0 109.345 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.438 ' O ' ' O ' ' A' ' 57' ' ' THR . 46.1 mtp 51.53 17.47 0.56 Allowed 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.232 -1.158 . . . . 0.0 109.062 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.438 ' O ' ' O ' ' A' ' 56' ' ' MET . 0.4 OUTLIER 58.43 158.17 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.462 -0.774 . . . . 0.0 109.299 179.904 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -172.01 -11.3 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.325 -0.859 . . . . 0.0 109.317 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.556 ' CG ' HH11 ' A' ' 59' ' ' ARG . 0.3 OUTLIER -152.94 98.9 2.36 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.319 -0.863 . . . . 0.0 109.399 -179.867 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 55.0 ttt180 -162.03 50.77 0.21 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.4 -0.813 . . . . 0.0 109.328 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.57 ' CG ' HH11 ' A' ' 61' ' ' ARG . 3.5 mtt-85 -78.67 -50.47 11.39 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.21 -0.931 . . . . 0.0 109.49 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.239 0 CA-C-O 118.054 -1.415 . . . . 0.0 109.574 179.964 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.575 ' N ' ' SD ' ' A' ' 1' ' ' MET . 1.6 mpt? . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.528 ' C ' ' H ' ' A' ' 4' ' ' GLN . 2.3 m -144.08 88.0 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 121.174 -0.954 . . . . 0.0 109.601 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -73.26 16.59 0.17 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.887 -1.133 . . . . 0.0 108.867 179.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.528 ' H ' ' C ' ' A' ' 2' ' ' VAL . 27.8 mt-30 -43.62 -34.08 1.35 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.426 -0.796 . . . . 0.0 111.316 -179.418 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -77.5 -76.09 0.19 Allowed 'General case' 0 N--CA 1.502 2.139 0 O-C-N 120.67 -1.269 . . . . 0.0 109.949 -179.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -47.15 -33.16 4.9 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.177 -0.952 . . . . 0.0 110.035 -179.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.9 tp -58.15 -54.6 45.12 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.163 -0.961 . . . . 0.0 108.995 179.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.49 -33.84 46.68 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.408 -0.807 . . . . 0.0 110.334 -179.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.75 -35.53 77.22 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.058 -1.026 . . . . 0.0 110.146 -179.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.68 -40.4 84.4 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.119 -0.988 . . . . 0.0 109.885 -179.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 66.9 mtm180 -60.92 -35.76 77.55 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.192 -0.942 . . . . 0.0 109.236 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.86 -39.29 93.98 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.403 -0.811 . . . . 0.0 109.621 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.75 -39.77 81.92 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.127 -0.983 . . . . 0.0 109.333 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.9 tp -61.49 -33.76 74.33 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.033 -1.042 . . . . 0.0 108.675 179.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.455 ' O ' ' OG1' ' A' ' 19' ' ' THR . 76.7 t60 -76.61 -40.9 48.02 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.269 -0.894 . . . . 0.0 110.775 -179.653 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -76.47 -31.08 57.57 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 120.947 -1.096 . . . . 0.0 111.471 -178.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 75.3 mt -77.65 -28.34 51.26 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 120.612 -1.305 . . . . 0.0 110.852 -178.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.437 ' CG ' ' O ' ' A' ' 18' ' ' MET . 21.3 ttm -102.7 0.06 32.47 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 120.841 -1.162 . . . . 0.0 110.516 -179.27 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.455 ' OG1' ' O ' ' A' ' 15' ' ' HIS . 21.2 m -96.94 -23.28 16.39 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.051 -1.031 . . . . 0.0 109.698 179.548 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 166.71 -73.2 0.16 Allowed Glycine 0 N--CA 1.492 2.386 0 C-N-CA 119.614 -1.279 . . . . 0.0 109.98 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.4 mmmt -44.93 129.88 7.34 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.304 -1.115 . . . . 0.0 109.226 -179.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.542 ' CG ' HH11 ' A' ' 22' ' ' ARG . 0.2 OUTLIER -92.92 -14.85 27.05 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.253 -0.905 . . . . 0.0 110.26 -179.289 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 98.1 t -113.01 147.98 16.28 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.155 0 O-C-N 121.262 -0.899 . . . . 0.0 110.487 -178.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.32 152.06 32.64 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 179.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.5 p -122.39 156.01 34.86 Favored 'General case' 0 N--CA 1.503 2.224 0 O-C-N 121.406 -0.809 . . . . 0.0 109.846 -179.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.9 t -143.83 135.23 22.45 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.257 -0.902 . . . . 0.0 108.933 179.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.435 ' N ' ' CD ' ' A' ' 27' ' ' GLN . 23.7 mp0 -84.12 103.16 13.1 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.227 -0.921 . . . . 0.0 109.208 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.5 mtmm -132.81 131.16 40.76 Favored 'General case' 0 N--CA 1.5 2.055 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.535 ' O ' ' N ' ' A' ' 31' ' ' ARG . 3.4 m-20 52.58 54.65 10.26 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.319 -0.863 . . . . 0.0 110.049 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 46.28 12.91 0.06 OUTLIER Glycine 0 N--CA 1.492 2.429 0 N-CA-C 110.251 -1.14 . . . . 0.0 110.251 179.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.548 ' CG ' HH11 ' A' ' 31' ' ' ARG . 0.0 OUTLIER -124.87 149.85 47.09 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.232 -1.158 . . . . 0.0 109.739 -179.704 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 70.9 mtm180 -103.46 134.91 46.03 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.594 -0.691 . . . . 0.0 109.188 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 53.6 t -122.32 148.39 25.99 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.238 0 O-C-N 121.377 -0.827 . . . . 0.0 109.023 179.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -106.48 152.61 23.43 Favored 'General case' 0 N--CA 1.499 2.002 0 CA-C-O 121.799 0.809 . . . . 0.0 110.647 -178.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -140.53 135.78 32.22 Favored 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 38' ' ' THR . 5.9 p -118.71 153.44 34.38 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.528 -0.733 . . . . 0.0 109.226 179.781 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.27 -18.01 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.324 -0.86 . . . . 0.0 110.761 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.463 ' N ' ' O ' ' A' ' 36' ' ' THR . 3.4 p -69.54 -23.49 63.58 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.727 -1.233 . . . . 0.0 110.194 -179.331 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.448 ' C ' ' H ' ' A' ' 41' ' ' SER . 91.3 p -112.71 16.74 19.53 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.212 -0.93 . . . . 0.0 110.099 -179.572 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.0 p -50.54 -12.77 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 121.002 -1.061 . . . . 0.0 109.638 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.448 ' H ' ' C ' ' A' ' 39' ' ' SER . 44.8 t -85.28 -52.89 5.58 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.918 -1.114 . . . . 0.0 110.581 -179.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.544 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 28.0 p-10 -60.08 -23.8 64.09 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.884 -1.135 . . . . 0.0 109.43 -179.389 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.544 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 8.9 tp -74.28 -42.18 60.01 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 120.941 -1.099 . . . . 0.0 108.113 179.027 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 38.5 mttm -51.52 -36.49 44.99 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.11 -0.994 . . . . 0.0 108.897 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -70.99 -45.75 63.47 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.108 -0.995 . . . . 0.0 109.91 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -53.82 -29.19 39.62 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.245 -0.909 . . . . 0.0 109.263 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.438 HG22 HD11 ' A' ' 47' ' ' ILE . 86.7 mt -78.87 -32.75 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.234 -0.916 . . . . 0.0 108.923 179.564 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.9 -38.67 64.28 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.336 -0.853 . . . . 0.0 109.915 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -66.82 -34.77 78.55 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.194 -0.941 . . . . 0.0 110.491 -179.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 47.7 mt -71.61 -32.11 67.65 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 120.718 -1.239 . . . . 0.0 109.427 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 55' ' ' GLY . 29.3 mm-40 -66.35 -29.33 69.49 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.825 -1.172 . . . . 0.0 109.279 179.649 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 70.5 t -82.03 -20.88 10.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.003 -1.061 . . . . 0.0 109.825 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -91.49 -8.53 47.4 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.984 -1.072 . . . . 0.0 108.852 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -123.86 -40.33 2.32 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 -179.642 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 51' ' ' GLU . . . -80.75 -168.03 38.35 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 -179.78 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.603 ' N ' ' SD ' ' A' ' 56' ' ' MET . 0.0 OUTLIER -157.27 27.65 0.3 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.929 -1.336 . . . . 0.0 109.407 179.883 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.43 ' O ' ' O ' ' A' ' 56' ' ' MET . 0.4 OUTLIER 59.14 153.54 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.619 -0.675 . . . . 0.0 109.587 179.752 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 60.2 tp60 -172.19 -30.34 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.398 -0.814 . . . . 0.0 109.288 179.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -56.95 150.8 15.99 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.249 -0.907 . . . . 0.0 109.454 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 -174.22 -22.85 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.346 -0.846 . . . . 0.0 109.337 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 41.8 mtp180 -69.82 -158.09 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.287 -0.883 . . . . 0.0 109.441 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.302 0 CA-C-O 117.963 -1.465 . . . . 0.0 109.536 179.929 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.466 ' CD ' ' N ' ' A' ' 5' ' ' GLU . 17.3 mp0 . . . . . 0 N--CA 1.499 2.016 0 CA-C-O 121.169 0.509 . . . . 0.0 110.345 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -47.3 -33.19 5.38 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.062 -1.024 . . . . 0.0 109.868 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.9 tp -56.12 -54.55 43.71 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.08 -1.012 . . . . 0.0 108.892 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.409 ' HA ' ' HE ' ' A' ' 11' ' ' ARG . . . -53.49 -31.15 44.67 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.469 -0.769 . . . . 0.0 110.252 -179.424 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.88 -37.77 73.05 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.095 -1.003 . . . . 0.0 110.163 -179.371 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.54 -41.85 92.58 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.092 -1.005 . . . . 0.0 109.858 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.409 ' HE ' ' HA ' ' A' ' 8' ' ' ALA . 72.0 mtm180 -58.76 -38.08 77.68 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.158 -0.964 . . . . 0.0 109.153 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.2 -39.74 87.6 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.416 -0.802 . . . . 0.0 109.615 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.23 -39.85 80.17 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.179 -0.951 . . . . 0.0 109.38 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 24.6 tp -61.14 -33.43 73.39 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.103 -0.998 . . . . 0.0 108.86 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.402 ' O ' ' OG1' ' A' ' 19' ' ' THR . 60.3 t-80 -75.68 -41.15 54.57 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.281 -0.887 . . . . 0.0 110.831 -179.431 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -76.27 -37.65 57.28 Favored 'General case' 0 C--N 1.297 -1.688 0 O-C-N 120.825 -1.172 . . . . 0.0 111.459 -178.126 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 72.5 mt -69.82 -29.11 66.31 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.672 -1.267 . . . . 0.0 110.908 -178.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.432 ' CG ' ' O ' ' A' ' 18' ' ' MET . 21.4 ttm -102.36 0.26 33.78 Favored 'General case' 0 N--CA 1.502 2.133 0 O-C-N 120.863 -1.148 . . . . 0.0 110.497 -179.177 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 15' ' ' HIS . 15.8 m -96.83 -23.19 16.49 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.063 -1.023 . . . . 0.0 109.596 179.577 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 165.67 -71.26 0.18 Allowed Glycine 0 N--CA 1.491 2.361 0 C-N-CA 119.562 -1.304 . . . . 0.0 110.083 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 42.3 mttp -45.69 130.39 9.12 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.264 -1.139 . . . . 0.0 109.672 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -92.48 -15.11 27.51 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.317 -0.864 . . . . 0.0 110.06 -179.461 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.4 p -111.57 145.34 17.89 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.289 0 O-C-N 121.485 -0.759 . . . . 0.0 110.55 -179.069 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.93 132.34 13.77 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 179.409 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.7 p -107.83 156.01 19.62 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.339 -0.85 . . . . 0.0 109.764 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.5 t . . . . . 0 N--CA 1.499 2.014 0 O-C-N 121.27 -0.894 . . . . 0.0 108.8 178.876 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.477 ' N ' ' CD ' ' A' ' 34' ' ' GLU . 3.1 mp0 . . . . . 0 N--CA 1.497 1.919 0 CA-C-O 121.793 0.806 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -141.21 136.32 31.63 Favored 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.078 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 38' ' ' THR . 9.3 p -117.87 153.03 34.22 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.461 -0.775 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.81 -18.75 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.412 -0.805 . . . . 0.0 110.604 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 36' ' ' THR . 6.4 m -69.51 -23.79 63.66 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 120.715 -1.24 . . . . 0.0 110.346 -179.341 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 41' ' ' SER . 88.4 p -111.25 16.24 21.06 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.207 -0.933 . . . . 0.0 110.053 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.7 p -50.64 -12.45 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.06 -1.025 . . . . 0.0 109.353 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 39' ' ' SER . 90.1 p -84.99 -52.85 5.69 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.958 -1.089 . . . . 0.0 110.608 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.542 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 28.6 p-10 -60.69 -23.82 65.15 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.852 -1.155 . . . . 0.0 109.437 -179.359 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.542 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 7.8 tp -74.0 -41.56 61.7 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 120.889 -1.132 . . . . 0.0 107.969 178.824 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 41.3 mttm -51.37 -37.16 46.67 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.109 -0.994 . . . . 0.0 108.798 179.4 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.4 ttmm -70.31 -45.86 65.41 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.159 -0.963 . . . . 0.0 109.809 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -53.09 -28.84 27.18 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.328 -0.858 . . . . 0.0 109.33 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 88.7 mt -79.51 -33.47 15.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.236 -0.915 . . . . 0.0 109.11 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.17 -37.04 64.1 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.306 -0.871 . . . . 0.0 109.949 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -68.37 -33.86 75.02 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.156 -0.965 . . . . 0.0 110.325 -179.18 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 50' ' ' LEU . 48.7 mt -72.07 -32.27 66.9 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 120.719 -1.238 . . . . 0.0 109.232 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -66.54 -29.42 69.5 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.838 -1.164 . . . . 0.0 109.23 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 71.2 t -82.37 -20.47 10.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.054 -1.029 . . . . 0.0 109.662 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -92.01 -8.13 46.93 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.124 -0.985 . . . . 0.0 109.232 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.496 1.847 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 . . . . . 0 N--CA 1.5 2.056 0 CA-C-O 121.17 0.509 . . . . 0.0 109.772 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -46.98 -32.56 3.98 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.095 -1.003 . . . . 0.0 109.845 -179.182 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 14.0 tp -57.43 -54.55 45.56 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.101 -0.999 . . . . 0.0 108.866 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.19 -30.56 38.17 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.309 -0.869 . . . . 0.0 110.16 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.47 -35.65 70.91 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.157 -0.964 . . . . 0.0 110.107 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.84 -40.52 83.69 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.115 -0.991 . . . . 0.0 109.888 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.54 -35.08 76.74 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.098 -1.001 . . . . 0.0 109.069 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.12 -39.18 93.49 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.491 -0.756 . . . . 0.0 109.523 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.92 -39.45 78.02 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.159 -0.963 . . . . 0.0 109.191 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.7 tp -64.41 -33.53 76.07 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.129 -0.982 . . . . 0.0 108.738 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.429 ' O ' ' OG1' ' A' ' 19' ' ' THR . 83.0 t60 -75.86 -41.7 51.59 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.3 -0.875 . . . . 0.0 110.703 -179.448 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -75.92 -37.5 58.68 Favored 'General case' 0 C--N 1.296 -1.749 0 O-C-N 120.915 -1.115 . . . . 0.0 111.339 -178.305 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 51.4 mt -69.21 -29.7 67.72 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.765 -1.209 . . . . 0.0 110.732 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.451 ' CG ' ' O ' ' A' ' 18' ' ' MET . 21.3 ttm -103.0 0.12 31.67 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 120.98 -1.075 . . . . 0.0 110.83 -178.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.429 ' OG1' ' O ' ' A' ' 15' ' ' HIS . 18.4 m -97.61 -23.2 16.09 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.967 -1.083 . . . . 0.0 109.716 179.673 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 170.35 -72.8 0.12 Allowed Glycine 0 N--CA 1.492 2.403 0 C-N-CA 119.482 -1.342 . . . . 0.0 109.983 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -46.0 132.19 9.48 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.177 -1.19 . . . . 0.0 109.581 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.7 ptt180 -93.22 -14.63 26.84 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.297 -0.877 . . . . 0.0 110.125 -179.327 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 p -115.93 148.76 18.44 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.212 0 CA-C-O 121.79 0.805 . . . . 0.0 110.997 -178.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.22 152.83 33.83 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.6 m -139.83 144.93 37.55 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.144 -0.973 . . . . 0.0 109.981 -179.232 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.2 m . . . . . 0 N--CA 1.497 1.912 0 O-C-N 121.227 -0.921 . . . . 0.0 108.982 179.056 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 . . . . . 0 N--CA 1.496 1.859 0 CA-C-O 121.458 0.647 . . . . 0.0 109.969 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -136.81 135.92 38.38 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 38' ' ' THR . 8.1 p -118.49 152.69 35.47 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.591 -0.693 . . . . 0.0 109.172 179.69 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.85 -18.63 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.359 -0.838 . . . . 0.0 110.723 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 36' ' ' THR . 6.4 m -69.96 -23.31 63.15 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.721 -1.237 . . . . 0.0 110.597 -179.167 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.502 ' O ' ' N ' ' A' ' 41' ' ' SER . 98.7 p -113.05 16.21 19.36 Favored 'General case' 0 N--CA 1.505 2.292 0 O-C-N 121.147 -0.97 . . . . 0.0 109.96 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.5 p -48.61 -12.11 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.082 -1.011 . . . . 0.0 109.694 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.502 ' N ' ' O ' ' A' ' 39' ' ' SER . 91.5 p -84.14 -52.76 6.01 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.931 -1.106 . . . . 0.0 110.635 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.561 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 52.3 p-10 -59.16 -24.26 62.89 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.864 -1.147 . . . . 0.0 109.496 -179.241 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.561 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 7.9 tp -74.4 -41.29 61.19 Favored 'General case' 0 N--CA 1.486 1.327 0 O-C-N 120.86 -1.15 . . . . 0.0 108.137 178.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.3 mttm -51.53 -35.8 42.19 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.13 -0.981 . . . . 0.0 108.822 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -71.35 -45.61 62.5 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.154 -0.966 . . . . 0.0 109.683 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -53.47 -28.95 33.31 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.193 -0.942 . . . . 0.0 109.376 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 84.8 mt -78.05 -32.76 17.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.223 -0.923 . . . . 0.0 109.132 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.89 -38.37 64.4 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.293 -0.879 . . . . 0.0 110.008 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -67.27 -33.95 76.4 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.204 -0.935 . . . . 0.0 110.531 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 50' ' ' LEU . 49.8 mt -72.16 -32.06 66.51 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 120.678 -1.264 . . . . 0.0 109.365 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -66.83 -29.07 68.89 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.847 -1.158 . . . . 0.0 109.268 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 70.3 t -82.09 -20.65 10.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.025 -1.047 . . . . 0.0 109.958 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -91.12 -9.23 46.35 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.955 -1.09 . . . . 0.0 108.973 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.494 1.749 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.404 ' CD ' ' N ' ' A' ' 5' ' ' GLU . 15.1 mp0 . . . . . 0 N--CA 1.5 2.034 0 CA-C-O 121.232 0.539 . . . . 0.0 110.283 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.639 ' H ' ' CD ' ' A' ' 6' ' ' GLU . 2.0 pm0 -47.49 -35.48 8.83 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.154 -0.967 . . . . 0.0 109.703 -179.259 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 14.9 tp -53.04 -54.17 39.33 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.12 -0.987 . . . . 0.0 108.744 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.403 ' HA ' ' HE ' ' A' ' 11' ' ' ARG . . . -52.87 -34.52 54.87 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.577 -0.702 . . . . 0.0 110.249 -179.368 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.62 -34.6 77.3 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.157 -0.964 . . . . 0.0 110.241 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.99 -40.92 75.01 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.08 -1.013 . . . . 0.0 109.989 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.403 ' HE ' ' HA ' ' A' ' 8' ' ' ALA . 83.0 mtm180 -60.62 -31.44 70.62 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.048 -1.033 . . . . 0.0 108.947 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.92 -37.62 81.91 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.359 -0.838 . . . . 0.0 109.384 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.48 -32.5 71.49 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.155 -0.966 . . . . 0.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 25.8 tp -72.12 -34.34 68.5 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.226 -0.921 . . . . 0.0 109.179 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 68.1 m80 -76.98 -37.81 54.44 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.201 -0.937 . . . . 0.0 110.587 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.78 -33.2 60.17 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 120.97 -1.081 . . . . 0.0 110.724 -178.225 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 76.5 mt -78.15 -29.13 48.52 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 120.62 -1.3 . . . . 0.0 111.494 -178.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.425 ' O ' ' CG ' ' A' ' 18' ' ' MET . 24.4 ttm -102.85 -2.27 28.2 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 120.846 -1.159 . . . . 0.0 110.913 -178.737 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.0 m -91.9 -23.03 19.75 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.804 -1.185 . . . . 0.0 109.447 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 160.18 -51.56 0.36 Allowed Glycine 0 N--CA 1.49 2.274 0 C-N-CA 119.732 -1.223 . . . . 0.0 110.127 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.422 ' HG2' ' H ' ' A' ' 21' ' ' LYS . 27.4 mmtm -49.43 135.26 18.04 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.056 -1.261 . . . . 0.0 109.229 -179.481 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -93.35 -12.64 29.5 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.306 -0.872 . . . . 0.0 110.971 -178.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.8 p -132.96 149.86 32.26 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.319 0 O-C-N 121.117 -0.99 . . . . 0.0 111.154 -178.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -145.23 153.13 41.0 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 179.389 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.7 p -139.16 144.11 38.45 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.178 -0.951 . . . . 0.0 110.027 -179.177 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.8 m . . . . . 0 N--CA 1.498 1.956 0 O-C-N 121.14 -0.975 . . . . 0.0 109.035 178.753 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 . . . . . 0 N--CA 1.5 2.048 0 CA-C-O 121.478 0.656 . . . . 0.0 109.8 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -138.78 135.81 35.04 Favored 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 38' ' ' THR . 8.6 p -118.56 153.15 34.7 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.589 -0.694 . . . . 0.0 109.239 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.78 -18.38 0.04 OUTLIER 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.318 -0.864 . . . . 0.0 110.644 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 36' ' ' THR . 6.1 m -69.51 -23.63 63.63 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.778 -1.201 . . . . 0.0 110.601 -179.115 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 41' ' ' SER . 97.3 p -113.45 16.41 18.86 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 121.146 -0.971 . . . . 0.0 110.035 -179.684 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.7 p -49.57 -11.94 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 121.07 -1.019 . . . . 0.0 109.553 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 39' ' ' SER . 50.1 m -84.59 -52.67 5.94 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.949 -1.094 . . . . 0.0 110.586 -179.713 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.558 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 43.3 p-10 -59.66 -24.75 64.15 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.812 -1.18 . . . . 0.0 109.483 -179.316 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.558 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 7.3 tp -74.34 -41.25 61.39 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 120.933 -1.104 . . . . 0.0 108.182 178.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.1 mttm -51.32 -35.72 39.4 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.124 -0.985 . . . . 0.0 108.775 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -69.22 -42.77 75.26 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.195 -0.94 . . . . 0.0 109.587 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.554 ' CZ ' HD11 ' A' ' 50' ' ' LEU . 32.7 t80 -57.71 -29.29 64.59 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.309 -0.869 . . . . 0.0 109.531 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 86.0 mt -79.37 -33.72 15.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.231 -0.918 . . . . 0.0 109.308 179.645 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.06 -38.96 63.79 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.225 -0.922 . . . . 0.0 109.997 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 67.6 tt0 -66.98 -34.2 77.23 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.206 -0.934 . . . . 0.0 110.583 -179.074 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.554 HD11 ' CZ ' ' A' ' 46' ' ' TYR . 58.5 mt -72.33 -32.16 66.29 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.682 -1.262 . . . . 0.0 109.412 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -65.77 -29.18 69.65 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.749 -1.22 . . . . 0.0 109.157 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 69.8 t -82.07 -21.05 10.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.016 -1.053 . . . . 0.0 109.808 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -91.4 -8.51 47.69 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.065 -1.022 . . . . 0.0 108.846 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.495 1.786 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 . . . . . 0 N--CA 1.503 2.184 0 CA-C-O 121.012 0.434 . . . . 0.0 110.18 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -56.28 -38.85 71.77 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.994 -1.066 . . . . 0.0 109.335 -179.247 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 14.2 tp -50.93 -54.61 22.7 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.454 -0.779 . . . . 0.0 109.07 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.54 -32.18 57.79 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.403 -0.81 . . . . 0.0 110.109 -179.592 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.16 -37.09 72.23 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.136 -0.978 . . . . 0.0 110.11 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.3 -42.04 93.46 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.159 -0.963 . . . . 0.0 109.702 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 -58.49 -39.03 78.88 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.168 -0.957 . . . . 0.0 109.156 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.39 -42.34 95.68 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.389 -0.819 . . . . 0.0 109.671 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.89 -37.9 66.89 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.195 -0.94 . . . . 0.0 109.25 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 25.4 tp -64.86 -33.6 76.39 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.139 -0.976 . . . . 0.0 108.757 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -75.91 -41.36 52.15 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.266 -0.896 . . . . 0.0 110.723 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -76.46 -36.46 57.89 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 120.916 -1.115 . . . . 0.0 111.506 -178.173 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 17' ' ' LEU . 68.4 mt -71.24 -28.82 64.45 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.751 -1.218 . . . . 0.0 110.858 -178.787 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.442 ' CG ' ' O ' ' A' ' 18' ' ' MET . 20.8 ttm -101.99 0.58 35.41 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 120.913 -1.117 . . . . 0.0 110.354 -179.24 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 16.6 m -97.95 -23.31 15.87 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.081 -1.012 . . . . 0.0 109.622 179.581 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 167.45 -71.9 0.16 Allowed Glycine 0 N--CA 1.492 2.381 0 C-N-CA 119.494 -1.336 . . . . 0.0 110.271 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -45.11 131.77 7.44 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.188 -1.183 . . . . 0.0 109.839 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -93.4 -15.08 26.04 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.375 -0.828 . . . . 0.0 110.243 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.2 p -115.18 145.62 20.68 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.253 0 O-C-N 121.403 -0.811 . . . . 0.0 110.902 -178.466 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.39 135.5 16.67 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 179.395 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.6 p -109.79 154.55 22.8 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.385 -0.822 . . . . 0.0 109.865 -179.37 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.5 t . . . . . 0 N--CA 1.5 2.033 0 O-C-N 121.185 -0.947 . . . . 0.0 108.769 178.755 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.478 ' N ' ' CD ' ' A' ' 34' ' ' GLU . 6.0 mp0 . . . . . 0 N--CA 1.498 1.954 0 CA-C-O 121.773 0.797 . . . . 0.0 110.701 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -140.75 136.56 32.65 Favored 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.409 ' O ' ' N ' ' A' ' 38' ' ' THR . 10.5 p -117.51 153.39 33.25 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.463 -0.773 . . . . 0.0 109.591 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.34 -19.15 0.07 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.483 -0.761 . . . . 0.0 110.798 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 36' ' ' THR . 8.2 m -73.97 -22.06 59.77 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.742 -1.224 . . . . 0.0 110.479 -179.209 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.414 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 91.1 p -111.1 18.6 19.24 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.244 -0.91 . . . . 0.0 109.525 -179.606 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.0 p -56.91 -12.59 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.44 -0.788 . . . . 0.0 110.589 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.0 t -83.62 -53.31 5.75 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.614 -1.304 . . . . 0.0 110.634 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 42' ' ' ASP . 0.9 OUTLIER -57.73 -27.53 63.07 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.91 -1.118 . . . . 0.0 109.349 -179.597 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.2 tp -71.54 -41.46 69.12 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 120.996 -1.065 . . . . 0.0 108.25 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.1 mttm -51.65 -34.66 38.92 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.07 -1.019 . . . . 0.0 108.848 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt -73.23 -45.41 56.26 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.135 -0.978 . . . . 0.0 109.656 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -52.31 -28.81 20.56 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.325 -0.859 . . . . 0.0 109.217 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 87.7 mt -78.63 -33.77 17.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.319 -0.863 . . . . 0.0 109.099 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.77 -37.6 64.96 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.207 -0.933 . . . . 0.0 109.936 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -67.02 -33.81 76.35 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.18 -0.95 . . . . 0.0 110.52 -179.203 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 50' ' ' LEU . 55.6 mt -72.77 -32.66 65.77 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 120.712 -1.243 . . . . 0.0 109.39 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -65.0 -29.42 70.34 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.775 -1.203 . . . . 0.0 109.005 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 77.1 t -82.52 -20.81 9.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.113 -0.992 . . . . 0.0 109.749 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -92.5 -8.25 45.06 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.084 -1.01 . . . . 0.0 109.469 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.496 1.868 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 -179.402 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 . . . . . 0 N--CA 1.503 2.198 0 CA-C-O 120.934 0.397 . . . . 0.0 110.103 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -46.87 -30.09 2.33 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.996 -1.065 . . . . 0.0 109.733 -178.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.0 tp -58.07 -54.64 44.63 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.24 -0.912 . . . . 0.0 108.658 179.326 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.91 -35.81 58.65 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.5 -0.75 . . . . 0.0 110.323 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.92 -43.4 83.39 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.131 -0.981 . . . . 0.0 110.11 -179.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.88 -43.52 90.93 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.088 -1.008 . . . . 0.0 109.771 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 63.0 mtm180 -57.37 -36.12 70.83 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.106 -0.996 . . . . 0.0 109.25 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.42 -41.3 98.59 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.404 -0.81 . . . . 0.0 109.82 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.17 -36.5 70.85 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.163 -0.96 . . . . 0.0 109.475 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 22.0 tp -65.12 -34.71 79.05 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.032 -1.042 . . . . 0.0 109.046 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.441 ' O ' ' OG1' ' A' ' 19' ' ' THR . 49.5 t60 -76.48 -40.35 50.53 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.068 -1.02 . . . . 0.0 110.625 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -76.24 -29.19 57.42 Favored 'General case' 0 C--N 1.295 -1.796 0 O-C-N 121.017 -1.052 . . . . 0.0 111.453 -178.223 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 44.3 mt -78.69 -29.46 45.56 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 120.617 -1.302 . . . . 0.0 110.9 -179.233 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.494 ' SD ' ' O ' ' A' ' 18' ' ' MET . 24.8 tpp -101.85 -4.94 25.44 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 120.976 -1.077 . . . . 0.0 110.156 -178.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.441 ' OG1' ' O ' ' A' ' 15' ' ' HIS . 22.6 m -90.57 -22.99 21.0 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.724 -1.235 . . . . 0.0 109.558 179.45 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 165.24 -63.35 0.23 Allowed Glycine 0 N--CA 1.491 2.326 0 C-N-CA 119.392 -1.385 . . . . 0.0 110.508 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.408 ' CD ' ' N ' ' A' ' 21' ' ' LYS . 2.8 mmtp -48.7 131.54 17.9 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.052 -1.264 . . . . 0.0 109.255 -179.077 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 -93.75 -14.71 25.95 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.117 -0.989 . . . . 0.0 109.894 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 73.0 t -117.19 148.07 20.16 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.138 0 O-C-N 121.454 -0.778 . . . . 0.0 110.179 -179.25 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.19 152.53 33.44 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 179.368 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.0 p -128.89 157.77 40.63 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.286 -0.884 . . . . 0.0 110.019 -179.243 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.9 t . . . . . 0 N--CA 1.499 2.002 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 178.774 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.482 ' N ' ' CD ' ' A' ' 34' ' ' GLU . 2.9 mp0 . . . . . 0 N--CA 1.497 1.921 0 CA-C-O 121.9 0.857 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -140.23 135.27 32.18 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 178.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 38' ' ' THR . 6.4 p -118.74 153.79 33.84 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.418 -0.801 . . . . 0.0 109.308 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.13 -18.58 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.401 -0.812 . . . . 0.0 110.652 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.463 ' N ' ' O ' ' A' ' 36' ' ' THR . 6.2 m -69.25 -23.75 63.9 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.816 -1.178 . . . . 0.0 110.53 -179.233 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.445 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 90.4 p -112.71 16.65 19.56 Favored 'General case' 0 N--CA 1.503 2.216 0 O-C-N 121.115 -0.99 . . . . 0.0 110.07 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.7 p -50.5 -12.43 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.017 -1.052 . . . . 0.0 109.672 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 39' ' ' SER . 42.8 t -85.27 -52.98 5.53 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.898 -1.126 . . . . 0.0 110.541 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.543 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 30.4 p-10 -59.86 -24.22 64.05 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.795 -1.191 . . . . 0.0 109.408 -179.311 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.543 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 8.5 tp -73.82 -42.61 60.67 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 178.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 35.7 mttm -51.89 -30.7 25.13 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.116 -0.99 . . . . 0.0 108.611 179.267 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.7 mmtm -72.8 -45.19 59.81 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.295 -0.878 . . . . 0.0 109.562 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -57.13 -29.55 63.67 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.376 -0.828 . . . . 0.0 109.419 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 88.4 mt -79.07 -33.44 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.251 -0.906 . . . . 0.0 109.298 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.56 -41.63 62.7 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.215 -0.928 . . . . 0.0 109.984 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -64.08 -35.71 81.62 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.151 -0.968 . . . . 0.0 110.425 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 50' ' ' LEU . 51.9 mt -70.04 -31.5 69.16 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 120.563 -1.335 . . . . 0.0 109.06 179.663 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -64.91 -29.43 70.37 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.945 -1.097 . . . . 0.0 109.431 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 78.8 t -82.58 -21.08 9.55 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 120.894 -1.129 . . . . 0.0 110.137 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 44.5 mm-40 -91.42 -8.48 47.74 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.838 -1.164 . . . . 0.0 109.206 -179.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.496 1.829 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.416 ' CD ' ' N ' ' A' ' 5' ' ' GLU . 13.2 mp0 . . . . . 0 N--CA 1.499 2.006 0 CA-C-O 121.168 0.509 . . . . 0.0 110.374 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.401 ' OE2' ' N ' ' A' ' 7' ' ' LEU . 1.7 pp20? -47.56 -37.01 11.42 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.115 -0.99 . . . . 0.0 109.868 -179.137 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.401 ' N ' ' OE2' ' A' ' 6' ' ' GLU . 13.2 tp -51.87 -53.98 34.42 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.031 -1.043 . . . . 0.0 108.59 179.206 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.402 ' HA ' ' HE ' ' A' ' 11' ' ' ARG . . . -51.07 -36.8 41.88 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.438 -0.789 . . . . 0.0 109.927 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.76 -38.57 83.61 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.085 -1.009 . . . . 0.0 109.995 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.79 -36.76 84.97 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.117 -0.989 . . . . 0.0 109.882 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.402 ' HE ' ' HA ' ' A' ' 8' ' ' ALA . 81.6 mtm180 -64.67 -34.33 78.05 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.105 -0.997 . . . . 0.0 109.265 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.68 -30.28 70.49 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.262 -0.899 . . . . 0.0 109.624 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.34 -37.62 80.7 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.257 -0.902 . . . . 0.0 109.397 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.2 tp -64.93 -35.97 82.86 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.204 -0.935 . . . . 0.0 108.97 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.436 ' O ' ' OG1' ' A' ' 19' ' ' THR . 52.8 t-80 -75.63 -41.29 54.59 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.135 -0.978 . . . . 0.0 110.591 -179.7 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -74.46 -37.95 63.09 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 120.802 -1.187 . . . . 0.0 111.177 -178.327 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 48.1 mt -67.62 -30.17 69.68 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.725 -1.235 . . . . 0.0 110.5 -179.131 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 4.3 tpt -103.4 -0.28 30.28 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 120.996 -1.065 . . . . 0.0 110.673 -179.002 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.436 ' OG1' ' O ' ' A' ' 15' ' ' HIS . 22.0 m -98.26 -23.66 15.56 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.698 -1.251 . . . . 0.0 109.885 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 170.19 -78.21 0.1 OUTLIER Glycine 0 N--CA 1.492 2.403 0 C-N-CA 119.544 -1.312 . . . . 0.0 109.935 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 61.9 mttt -46.89 104.55 0.05 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.239 -1.153 . . . . 0.0 109.284 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -71.15 -14.85 62.42 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.419 -0.8 . . . . 0.0 110.169 -179.33 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.2 t -106.34 148.2 10.99 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 O-C-N 121.286 -0.884 . . . . 0.0 110.694 -179.071 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.53 152.92 33.61 Favored 'General case' 0 N--CA 1.495 1.816 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 179.142 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.1 p -137.19 143.98 42.64 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.107 -0.996 . . . . 0.0 110.016 -179.113 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.4 m . . . . . 0 N--CA 1.497 1.923 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 178.241 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.446 ' N ' ' CD ' ' A' ' 34' ' ' GLU . 1.9 mp0 . . . . . 0 N--CA 1.497 1.924 0 CA-C-O 121.58 0.705 . . . . 0.0 110.221 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -140.48 135.36 31.87 Favored 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 38' ' ' THR . 7.0 p -119.34 154.68 33.19 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.499 -0.751 . . . . 0.0 109.228 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.05 -18.25 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.364 -0.835 . . . . 0.0 110.687 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.47 ' N ' ' O ' ' A' ' 36' ' ' THR . 5.9 m -67.02 -23.67 65.93 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 120.704 -1.248 . . . . 0.0 110.297 -179.36 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.526 ' O ' ' N ' ' A' ' 41' ' ' SER . 93.2 p -114.38 17.12 17.66 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 121.23 -0.919 . . . . 0.0 110.219 -179.673 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.8 p -48.92 -10.7 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 120.919 -1.113 . . . . 0.0 109.612 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.526 ' N ' ' O ' ' A' ' 39' ' ' SER . 47.7 t -84.67 -52.06 6.37 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.055 -1.028 . . . . 0.0 110.552 -179.51 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.549 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 33.3 p-10 -62.59 -27.73 69.39 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.819 -1.176 . . . . 0.0 109.942 -179.086 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.549 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 7.8 tp -73.56 -40.37 63.99 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.745 -1.222 . . . . 0.0 107.866 178.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.8 ttmm -52.29 -34.36 46.26 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.482 -0.761 . . . . 0.0 109.256 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.0 tttm -73.29 -45.57 54.81 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.329 -0.857 . . . . 0.0 109.571 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.571 ' CZ ' HD11 ' A' ' 50' ' ' LEU . 39.9 t80 -52.31 -28.7 20.13 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.4 -0.812 . . . . 0.0 109.588 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.437 ' O ' ' OE2' ' A' ' 51' ' ' GLU . 84.4 mt -78.01 -39.46 25.47 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.223 -0.923 . . . . 0.0 109.38 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.33 -36.57 71.61 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.195 -0.941 . . . . 0.0 110.195 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -67.6 -33.71 75.55 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.16 -0.963 . . . . 0.0 110.582 -179.079 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.571 HD11 ' CZ ' ' A' ' 46' ' ' TYR . 44.0 mt -71.79 -33.93 68.99 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 120.685 -1.259 . . . . 0.0 109.465 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.519 ' OE1' ' N ' ' A' ' 51' ' ' GLU . 0.2 OUTLIER -64.29 -29.76 70.84 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.715 -1.241 . . . . 0.0 108.686 179.315 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 74.8 t -82.5 -20.43 9.93 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 O-C-N 121.122 -0.986 . . . . 0.0 109.598 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -92.27 -8.41 45.33 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.115 -0.991 . . . . 0.0 109.258 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.497 1.883 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.471 ' CD ' ' N ' ' A' ' 5' ' ' GLU . 5.2 mp0 . . . . . 0 N--CA 1.502 2.148 0 CA-C-O 120.88 0.372 . . . . 0.0 111.242 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -64.56 -39.37 93.62 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.927 -1.108 . . . . 0.0 109.445 -178.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 14.0 tp -50.78 -54.42 23.64 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.417 -0.802 . . . . 0.0 108.906 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.79 -36.29 62.28 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.515 -0.741 . . . . 0.0 109.976 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.07 -31.31 70.86 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.213 -0.929 . . . . 0.0 110.0 -179.585 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.47 -39.79 70.68 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.029 -1.044 . . . . 0.0 109.768 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 78.5 mtm180 -61.21 -35.82 78.23 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.205 -0.934 . . . . 0.0 109.236 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.73 -40.92 97.93 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.452 -0.78 . . . . 0.0 109.576 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.56 -38.59 72.13 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.175 -0.953 . . . . 0.0 109.33 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 19.8 tp -62.98 -35.54 80.52 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.114 -0.991 . . . . 0.0 108.846 179.514 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.409 ' O ' ' OG1' ' A' ' 19' ' ' THR . 25.5 t-80 -75.54 -45.85 35.55 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.047 -1.033 . . . . 0.0 110.649 -179.676 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -70.55 -36.76 73.85 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 120.868 -1.145 . . . . 0.0 111.39 -178.171 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 40.4 mt -68.7 -31.12 69.98 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.698 -1.251 . . . . 0.0 110.452 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 6.3 tpt -103.31 -0.21 30.55 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 120.87 -1.144 . . . . 0.0 110.474 -179.091 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' A' ' 15' ' ' HIS . 23.1 m -97.55 -23.6 15.94 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.768 -1.207 . . . . 0.0 109.815 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 169.96 -78.34 0.1 OUTLIER Glycine 0 N--CA 1.491 2.344 0 C-N-CA 119.566 -1.302 . . . . 0.0 109.945 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -46.86 105.44 0.07 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.252 -1.146 . . . . 0.0 109.48 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -71.34 -15.02 62.37 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.34 -0.85 . . . . 0.0 110.116 -179.369 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.9 t -106.82 146.79 12.81 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.023 0 O-C-N 121.295 -0.878 . . . . 0.0 110.62 -179.148 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -152.04 152.63 32.66 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.169 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 82.5 p -140.82 143.18 34.67 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.063 -1.023 . . . . 0.0 109.964 -179.472 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.9 m . . . . . 0 N--CA 1.499 1.981 0 O-C-N 121.294 -0.879 . . . . 0.0 108.655 178.895 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.468 ' N ' ' CD ' ' A' ' 34' ' ' GLU . 2.4 mp0 . . . . . 0 N--CA 1.497 1.912 0 CA-C-O 121.698 0.761 . . . . 0.0 110.609 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -140.2 134.66 31.46 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 179.064 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 38' ' ' THR . 7.5 p -119.18 154.88 32.62 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.422 -0.799 . . . . 0.0 109.433 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.06 -18.71 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.373 -0.829 . . . . 0.0 110.694 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 36' ' ' THR . 5.9 m -68.05 -23.56 64.98 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.807 -1.183 . . . . 0.0 110.378 -179.275 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.516 ' O ' ' N ' ' A' ' 41' ' ' SER . 94.1 p -114.27 16.42 17.94 Favored 'General case' 0 N--CA 1.503 2.18 0 O-C-N 121.208 -0.932 . . . . 0.0 110.182 -179.607 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.2 p -48.8 -11.62 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 120.929 -1.107 . . . . 0.0 109.525 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.516 ' N ' ' O ' ' A' ' 39' ' ' SER . 94.5 p -84.65 -52.67 5.92 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.95 -1.094 . . . . 0.0 110.678 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.545 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 38.1 p-10 -60.79 -25.48 66.58 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.824 -1.173 . . . . 0.0 109.698 -179.248 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.545 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 7.3 tp -73.27 -41.06 64.07 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 178.662 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.5 mttm -52.2 -31.66 32.83 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.157 -0.964 . . . . 0.0 108.516 179.105 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.41 ' HB3' ' HZ3' ' A' ' 45' ' ' LYS . 0.8 OUTLIER -73.28 -45.36 56.11 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.272 -0.892 . . . . 0.0 109.539 -179.808 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.539 ' CZ ' HD11 ' A' ' 50' ' ' LEU . 47.5 t80 -55.11 -29.02 56.76 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.34 -0.85 . . . . 0.0 109.633 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 86.9 mt -78.14 -35.02 19.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.229 -0.919 . . . . 0.0 109.305 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.92 -41.33 62.23 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.251 -0.906 . . . . 0.0 109.971 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 48.9 tt0 -63.33 -34.53 77.91 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.205 -0.935 . . . . 0.0 110.425 -179.108 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.539 HD11 ' CZ ' ' A' ' 46' ' ' TYR . 57.0 mt -72.2 -31.92 66.31 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.612 -1.305 . . . . 0.0 109.158 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -63.05 -29.57 70.92 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.82 -1.175 . . . . 0.0 109.046 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 70.1 t -83.06 -20.94 9.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.083 -1.011 . . . . 0.0 109.852 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -91.7 -8.26 47.49 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.0 -1.063 . . . . 0.0 109.185 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.496 1.854 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 -179.404 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 . . . . . 0 N--CA 1.503 2.182 0 CA-C-O 120.954 0.407 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -56.82 -37.81 71.72 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 120.929 -1.107 . . . . 0.0 109.124 -179.292 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 17.5 tp -51.05 -54.1 27.76 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.353 -0.842 . . . . 0.0 108.925 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.05 -33.23 56.87 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.392 -0.818 . . . . 0.0 109.998 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.62 -32.77 70.23 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.169 -0.957 . . . . 0.0 110.036 -179.485 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.64 -42.57 70.7 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.159 -0.963 . . . . 0.0 109.914 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -59.0 -36.84 75.58 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.126 -0.984 . . . . 0.0 108.963 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.14 -40.52 96.23 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.46 -0.775 . . . . 0.0 109.416 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.09 -36.41 68.09 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.218 -0.926 . . . . 0.0 109.175 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 21.7 tp -65.11 -34.43 78.38 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.113 -0.992 . . . . 0.0 108.766 179.38 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -75.88 -40.2 54.97 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.2 -0.937 . . . . 0.0 110.868 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -76.8 -32.34 57.57 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 120.8 -1.187 . . . . 0.0 111.666 -178.081 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 81.0 mt -76.58 -27.86 55.98 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.608 -1.308 . . . . 0.0 110.939 -178.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.448 ' CG ' ' O ' ' A' ' 18' ' ' MET . 20.0 ttm -102.54 0.76 34.03 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 120.885 -1.134 . . . . 0.0 110.409 -179.241 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.6 m -100.55 -23.38 14.7 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.137 -0.977 . . . . 0.0 109.944 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 169.25 -75.52 0.11 Allowed Glycine 0 N--CA 1.494 2.514 0 C-N-CA 119.42 -1.371 . . . . 0.0 110.376 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 44.7 mttm -44.25 131.67 6.07 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.377 -1.072 . . . . 0.0 109.904 -179.425 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.16 -15.44 25.97 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.443 -0.786 . . . . 0.0 110.149 -179.256 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.1 p -114.11 146.19 18.97 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.293 0 O-C-N 121.404 -0.81 . . . . 0.0 110.868 -178.281 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.61 136.74 17.44 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.7 p -108.95 155.56 20.72 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.319 -0.863 . . . . 0.0 109.945 -179.361 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.6 t . . . . . 0 N--CA 1.499 1.996 0 O-C-N 121.26 -0.9 . . . . 0.0 108.915 178.757 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.472 ' N ' ' CD ' ' A' ' 34' ' ' GLU . 10.2 mp0 . . . . . 0 N--CA 1.496 1.865 0 CA-C-O 121.715 0.769 . . . . 0.0 110.555 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -140.71 136.47 32.62 Favored 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 38' ' ' THR . 9.4 p -117.87 152.77 34.73 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.421 -0.8 . . . . 0.0 109.297 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.94 -17.95 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.417 -0.802 . . . . 0.0 110.69 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 36' ' ' THR . 3.6 p -70.39 -23.66 62.8 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.729 -1.232 . . . . 0.0 110.236 -179.311 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.471 ' O ' ' N ' ' A' ' 41' ' ' SER . 90.8 p -111.83 16.45 20.42 Favored 'General case' 0 N--CA 1.503 2.189 0 O-C-N 121.061 -1.024 . . . . 0.0 109.993 -179.719 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.8 p -49.99 -11.87 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 121.062 -1.024 . . . . 0.0 109.521 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 39' ' ' SER . 44.8 m -85.46 -52.86 5.56 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.058 -1.026 . . . . 0.0 110.64 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.546 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 35.6 p-10 -59.54 -23.88 63.23 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.723 -1.235 . . . . 0.0 109.361 -179.475 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.546 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 7.8 tp -74.99 -40.55 60.63 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 178.816 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 49.0 mttt -51.2 -36.82 43.33 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.128 -0.982 . . . . 0.0 108.805 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -73.92 -46.11 46.38 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.12 -0.988 . . . . 0.0 109.806 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -51.31 -26.4 7.43 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.17 -0.957 . . . . 0.0 108.901 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 92.2 mt -79.76 -35.15 16.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.325 -0.86 . . . . 0.0 109.087 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.74 -40.63 63.38 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.213 -0.93 . . . . 0.0 109.791 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -63.35 -35.17 79.52 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.166 -0.959 . . . . 0.0 110.374 -179.242 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 50' ' ' LEU . 51.0 mt -71.11 -32.21 68.74 Favored 'General case' 0 N--CA 1.497 1.919 0 C-N-CA 118.54 -1.264 . . . . 0.0 108.954 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -62.81 -29.76 70.97 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.911 -1.118 . . . . 0.0 109.299 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 70.0 t -82.91 -21.76 9.03 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 120.932 -1.105 . . . . 0.0 109.985 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.6 mm100 -92.24 -8.09 46.32 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.972 -1.08 . . . . 0.0 109.271 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.497 1.886 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.47 ' CD ' ' N ' ' A' ' 5' ' ' GLU . 16.8 mp0 . . . . . 0 N--CA 1.501 2.083 0 CA-C-O 120.99 0.424 . . . . 0.0 111.125 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -60.88 -35.1 75.75 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.761 -1.212 . . . . 0.0 109.157 -179.17 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 14.5 tp -51.04 -54.07 28.01 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.83 -44.87 70.61 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.571 -0.706 . . . . 0.0 110.059 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.95 -35.04 77.27 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.156 -0.965 . . . . 0.0 110.021 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.81 -44.24 86.23 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.19 -0.944 . . . . 0.0 109.759 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -57.25 -33.68 67.84 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.193 -0.942 . . . . 0.0 109.187 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.05 -33.6 75.87 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.387 -0.82 . . . . 0.0 109.576 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.99 -31.91 73.26 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.191 -0.943 . . . . 0.0 109.349 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.8 tp -70.15 -37.35 75.21 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.192 -0.942 . . . . 0.0 109.114 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 60.6 m80 -76.58 -38.2 55.29 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.886 -1.134 . . . . 0.0 110.813 -179.534 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -75.82 -29.96 58.85 Favored 'General case' 0 C--N 1.296 -1.721 0 O-C-N 120.797 -1.189 . . . . 0.0 111.464 -178.043 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.4 mt -79.04 -29.12 43.38 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 120.727 -1.233 . . . . 0.0 111.019 -179.301 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 5.8 tpt -101.83 -0.13 34.69 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 120.808 -1.182 . . . . 0.0 110.273 -179.02 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 20.1 m -95.25 -22.73 17.61 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.934 -1.104 . . . . 0.0 109.379 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 164.72 -63.98 0.23 Allowed Glycine 0 N--CA 1.493 2.443 0 C-N-CA 119.674 -1.251 . . . . 0.0 110.054 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.473 ' CD ' ' H ' ' A' ' 21' ' ' LYS . 4.0 mptp? -46.24 131.52 10.34 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.324 -1.103 . . . . 0.0 109.519 -179.662 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -94.0 -13.68 26.72 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.268 -0.895 . . . . 0.0 110.211 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.1 p -121.73 149.18 24.92 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.349 0 O-C-N 121.414 -0.804 . . . . 0.0 110.819 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -149.45 152.42 35.63 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 179.318 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.0 p -126.3 154.8 42.94 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.314 -0.866 . . . . 0.0 109.799 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 0 N--CA 1.5 2.027 0 O-C-N 121.257 -0.902 . . . . 0.0 108.927 179.017 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 . . . . . 0 N--CA 1.499 2.016 0 CA-C-O 121.683 0.754 . . . . 0.0 110.703 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -140.24 136.28 33.2 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 179.13 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 38' ' ' THR . 9.2 p -116.5 152.68 33.58 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.417 -0.802 . . . . 0.0 109.433 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.79 -18.66 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.401 -0.812 . . . . 0.0 110.585 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 36' ' ' THR . 6.7 m -70.13 -24.25 63.15 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.744 -1.223 . . . . 0.0 110.485 -179.249 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.439 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 87.6 p -110.74 16.51 21.33 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.102 -0.998 . . . . 0.0 109.856 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.2 p -51.35 -12.08 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.096 -1.002 . . . . 0.0 109.679 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.428 ' N ' ' C ' ' A' ' 39' ' ' SER . 48.0 m -85.92 -53.15 5.28 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.93 -1.106 . . . . 0.0 110.465 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.557 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 28.4 p-10 -58.59 -24.69 61.44 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.945 -1.097 . . . . 0.0 109.354 -179.468 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.557 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 8.5 tp -75.16 -41.03 59.04 Favored 'General case' 0 N--CA 1.486 1.333 0 O-C-N 121.041 -1.037 . . . . 0.0 108.246 178.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -51.58 -34.61 37.83 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.222 -0.924 . . . . 0.0 109.243 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -74.78 -45.98 40.06 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.054 -1.029 . . . . 0.0 109.758 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.473 ' CZ ' HD11 ' A' ' 50' ' ' LEU . 32.0 t80 -51.36 -26.28 7.45 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.18 -0.95 . . . . 0.0 108.878 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.421 ' O ' ' OE2' ' A' ' 51' ' ' GLU . 89.7 mt -80.36 -41.37 20.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.304 -0.873 . . . . 0.0 109.59 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.45 -36.24 73.81 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.095 -1.003 . . . . 0.0 110.134 -179.673 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -68.3 -34.54 76.34 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.107 -0.996 . . . . 0.0 110.545 -179.091 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.473 HD11 ' CZ ' ' A' ' 46' ' ' TYR . 49.5 mt -70.4 -33.08 70.96 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.541 -1.35 . . . . 0.0 109.416 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.529 ' OE1' ' N ' ' A' ' 51' ' ' GLU . 0.1 OUTLIER -65.53 -30.08 70.8 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.854 -1.154 . . . . 0.0 109.143 179.607 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 69.0 t -82.34 -20.33 10.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 120.982 -1.074 . . . . 0.0 109.894 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -92.12 -8.34 45.99 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.009 -1.057 . . . . 0.0 109.123 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.495 1.802 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 -179.531 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 . . . . . 0 N--CA 1.501 2.123 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -46.52 -32.59 3.46 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.151 -0.968 . . . . 0.0 109.713 -179.347 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.2 tp -56.71 -54.28 47.98 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.249 -0.907 . . . . 0.0 108.61 179.002 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.05 -33.64 26.41 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.513 -0.742 . . . . 0.0 110.064 -179.409 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.36 -37.18 77.5 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.108 -0.995 . . . . 0.0 110.064 -179.439 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.96 -38.87 89.67 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.086 -1.009 . . . . 0.0 109.987 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 83.3 mtm180 -63.24 -33.35 75.3 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.188 -0.945 . . . . 0.0 109.1 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.63 -36.62 84.85 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.407 -0.808 . . . . 0.0 109.66 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.17 -41.57 98.43 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.159 -0.963 . . . . 0.0 109.396 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 30.1 tp -63.22 -32.71 74.17 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.068 -1.02 . . . . 0.0 108.76 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 26.6 t60 -75.46 -41.37 55.79 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.223 -0.923 . . . . 0.0 110.631 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -76.41 -39.46 53.52 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 121.015 -1.053 . . . . 0.0 111.346 -178.225 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 59.3 mt -67.76 -29.47 68.68 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.755 -1.216 . . . . 0.0 110.852 -178.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 25.9 ttm -102.23 -0.01 33.71 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 120.791 -1.193 . . . . 0.0 110.562 -178.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.9 m -97.01 -23.09 16.44 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.011 -1.056 . . . . 0.0 109.57 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 167.52 -70.51 0.17 Allowed Glycine 0 N--CA 1.492 2.385 0 C-N-CA 119.539 -1.315 . . . . 0.0 110.216 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.6 mttm -45.94 132.01 9.39 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.23 -1.159 . . . . 0.0 109.69 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -93.13 -14.42 27.24 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.277 -0.889 . . . . 0.0 109.868 -179.181 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.5 p -115.57 147.12 19.18 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.372 0 CA-C-O 121.677 0.751 . . . . 0.0 110.898 -178.65 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.45 152.47 33.09 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 179.316 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 69.5 p -139.67 145.47 38.47 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.096 -1.003 . . . . 0.0 109.866 -179.426 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.498 1.933 0 O-C-N 121.252 -0.905 . . . . 0.0 108.766 178.91 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 . . . . . 0 N--CA 1.499 1.98 0 CA-C-O 121.516 0.674 . . . . 0.0 110.083 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -139.79 135.62 33.22 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.455 ' O ' ' N ' ' A' ' 38' ' ' THR . 8.9 p -118.27 152.84 34.98 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.532 -0.73 . . . . 0.0 109.339 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.98 -17.84 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.447 -0.783 . . . . 0.0 110.649 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.455 ' N ' ' O ' ' A' ' 36' ' ' THR . 3.4 p -70.36 -23.89 62.88 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.725 -1.234 . . . . 0.0 110.358 -179.179 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 41' ' ' SER . 90.0 p -111.84 16.15 20.54 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.026 -1.046 . . . . 0.0 109.877 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.3 p -50.13 -12.07 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.004 -1.06 . . . . 0.0 109.611 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 39' ' ' SER . 42.0 t -84.89 -52.45 6.0 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.982 -1.074 . . . . 0.0 110.498 -179.755 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.554 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 35.3 p-10 -60.15 -24.72 64.94 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.833 -1.167 . . . . 0.0 109.624 -179.325 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.554 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 7.8 tp -74.61 -41.92 59.56 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 120.883 -1.136 . . . . 0.0 108.378 179.006 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.5 mtmt -51.66 -35.23 41.5 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.015 -1.053 . . . . 0.0 108.834 179.639 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -68.9 -45.22 71.48 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.176 -0.952 . . . . 0.0 109.559 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.547 ' CZ ' HD11 ' A' ' 50' ' ' LEU . 34.3 t80 -54.94 -29.16 55.81 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.338 -0.851 . . . . 0.0 109.414 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 88.6 mt -78.53 -33.02 16.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.224 -0.922 . . . . 0.0 109.175 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.96 -44.48 54.73 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.229 -0.919 . . . . 0.0 109.941 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -61.11 -35.77 77.93 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.151 -0.968 . . . . 0.0 110.374 -179.158 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.547 HD11 ' CZ ' ' A' ' 46' ' ' TYR . 54.5 mt -70.38 -31.94 69.4 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 120.681 -1.262 . . . . 0.0 109.242 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -63.03 -29.28 70.7 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.914 -1.116 . . . . 0.0 109.104 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 77.3 t -82.86 -20.43 9.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.06 -1.025 . . . . 0.0 110.01 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -91.26 -8.94 46.93 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.891 -1.13 . . . . 0.0 109.35 -179.509 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.496 1.853 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 . . . . . 0 N--CA 1.501 2.097 0 CA-C-O 121.146 0.498 . . . . 0.0 109.839 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -47.33 -32.87 5.15 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.184 -0.947 . . . . 0.0 109.966 -179.149 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 16.7 tp -57.92 -54.62 44.87 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.061 -1.024 . . . . 0.0 108.795 179.46 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.21 -30.6 50.46 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.499 -0.751 . . . . 0.0 110.29 -179.178 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.57 -29.64 63.72 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.105 -0.997 . . . . 0.0 110.046 -179.406 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.41 -42.06 59.84 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.04 -1.038 . . . . 0.0 109.718 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -59.81 -36.41 76.7 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.179 -0.951 . . . . 0.0 108.875 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.59 -40.25 96.47 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.437 -0.79 . . . . 0.0 109.405 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.3 -34.12 66.18 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.185 -0.947 . . . . 0.0 109.14 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.6 tp -68.0 -36.45 80.02 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.226 -0.921 . . . . 0.0 109.169 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 47.7 t60 -76.63 -36.63 57.29 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.017 -1.052 . . . . 0.0 110.715 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -76.87 -31.64 56.93 Favored 'General case' 0 C--N 1.294 -1.844 0 O-C-N 121.027 -1.046 . . . . 0.0 111.455 -178.105 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 64.3 mt -79.23 -29.16 42.61 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 120.642 -1.286 . . . . 0.0 111.289 -179.035 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.499 ' SD ' ' O ' ' A' ' 18' ' ' MET . 25.2 tpp -101.93 -3.92 27.03 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 120.829 -1.169 . . . . 0.0 110.395 -178.461 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 20.2 m -89.9 -23.0 21.73 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.642 -1.286 . . . . 0.0 109.461 179.324 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 161.03 -52.45 0.34 Allowed Glycine 0 N--CA 1.491 2.322 0 C-N-CA 119.47 -1.347 . . . . 0.0 110.495 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.4 mmtm -51.0 135.46 24.73 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.051 -1.264 . . . . 0.0 109.226 -179.231 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 38.2 mtp180 -93.7 -13.23 27.72 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.232 -0.918 . . . . 0.0 110.793 -179.175 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.9 p -129.65 151.65 36.14 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.376 0 O-C-N 121.189 -0.944 . . . . 0.0 110.943 -178.745 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -148.49 152.23 36.52 Favored 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.4 p -125.05 155.6 39.52 Favored 'General case' 0 N--CA 1.503 2.181 0 O-C-N 121.309 -0.869 . . . . 0.0 109.796 -179.527 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.8 t . . . . . 0 N--CA 1.498 1.959 0 O-C-N 121.293 -0.879 . . . . 0.0 108.904 179.071 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 . . . . . 0 N--CA 1.498 1.953 0 CA-C-O 121.696 0.76 . . . . 0.0 110.651 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -140.28 136.35 33.2 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 179.04 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 38' ' ' THR . 10.0 p -117.51 152.69 34.55 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.452 -0.78 . . . . 0.0 109.459 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.27 -18.36 0.05 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.421 -0.799 . . . . 0.0 110.663 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.434 ' N ' ' O ' ' A' ' 36' ' ' THR . 4.3 p -72.31 -23.29 61.15 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.75 -1.219 . . . . 0.0 110.224 -179.289 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.412 ' C ' ' N ' ' A' ' 41' ' ' SER . 93.6 p -110.42 16.99 21.27 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 121.114 -0.991 . . . . 0.0 109.769 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.1 p -52.26 -11.72 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.298 -0.876 . . . . 0.0 109.592 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.412 ' N ' ' C ' ' A' ' 39' ' ' SER . 48.3 t -84.79 -53.31 5.43 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.962 -1.086 . . . . 0.0 110.776 -179.492 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.524 ' OD1' ' N ' ' A' ' 42' ' ' ASP . 0.0 OUTLIER -60.01 -23.36 63.6 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.759 -1.213 . . . . 0.0 109.024 -179.219 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.3 tp -75.13 -40.53 59.69 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 120.819 -1.175 . . . . 0.0 108.116 178.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttt -51.22 -36.77 43.28 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.088 -1.007 . . . . 0.0 108.751 179.481 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -71.25 -45.58 62.9 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.143 -0.973 . . . . 0.0 110.329 -179.623 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.488 ' CZ ' HD11 ' A' ' 50' ' ' LEU . 29.4 t80 -55.08 -27.63 46.38 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.196 -0.94 . . . . 0.0 109.634 -179.638 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 85.1 mt -78.82 -32.47 15.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.067 -1.021 . . . . 0.0 108.875 179.434 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.84 -48.35 38.45 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.349 -0.845 . . . . 0.0 110.324 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -58.73 -42.43 88.74 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.949 -1.094 . . . . 0.0 110.216 -179.064 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.488 HD11 ' CZ ' ' A' ' 46' ' ' TYR . 38.2 mt -62.23 -32.44 73.12 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 120.731 -1.231 . . . . 0.0 109.197 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -63.74 -29.97 71.12 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.856 -1.153 . . . . 0.0 109.345 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 70.2 t -83.31 -20.79 9.11 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 120.947 -1.096 . . . . 0.0 109.751 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -89.93 -8.8 50.93 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.03 -1.044 . . . . 0.0 108.814 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.495 1.778 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.47 ' CD ' ' N ' ' A' ' 5' ' ' GLU . 15.4 mp0 . . . . . 0 N--CA 1.5 2.044 0 CA-C-O 121.222 0.534 . . . . 0.0 110.388 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -47.52 -32.68 5.52 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.21 -0.931 . . . . 0.0 109.904 -179.255 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 16.5 tp -55.96 -50.96 69.35 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.122 -0.986 . . . . 0.0 108.684 179.065 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.46 -39.58 70.55 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.63 -0.669 . . . . 0.0 110.841 -178.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.34 -28.61 62.15 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.045 -1.034 . . . . 0.0 111.265 -178.465 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.17 -51.03 50.47 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.922 -1.111 . . . . 0.0 110.676 -178.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.4 ptt180 -60.81 -35.79 77.4 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 120.872 -1.143 . . . . 0.0 108.691 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.43 -34.34 68.85 Favored 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 179.353 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.34 -41.87 98.93 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 179.555 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 22.5 tp -56.48 -34.78 67.24 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.152 -0.967 . . . . 0.0 108.893 179.459 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -76.63 -38.44 54.69 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.16 -0.962 . . . . 0.0 110.873 -179.291 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -76.9 -30.96 56.39 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 120.91 -1.119 . . . . 0.0 111.496 -178.019 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 75.5 mt -78.49 -29.14 46.54 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 120.726 -1.234 . . . . 0.0 110.955 -179.065 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.443 ' CG ' ' O ' ' A' ' 18' ' ' MET . 21.7 ttm -102.67 0.18 32.74 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 120.93 -1.106 . . . . 0.0 110.596 -178.786 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.4 m -92.88 -23.61 18.73 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.898 -1.126 . . . . 0.0 109.489 179.592 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 171.58 -79.18 0.09 OUTLIER Glycine 0 N--CA 1.491 2.345 0 C-N-CA 119.608 -1.282 . . . . 0.0 110.061 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.3 mtpt -48.48 138.06 10.78 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.211 -1.17 . . . . 0.0 109.392 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 65.0 mtm180 -93.14 -13.84 27.95 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.256 -0.902 . . . . 0.0 110.249 -179.541 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 42.5 t -109.2 151.01 11.63 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.196 0 O-C-N 121.231 -0.918 . . . . 0.0 111.092 -178.633 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.36 152.38 33.05 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 107.845 -1.168 . . . . 0.0 107.845 178.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 17.7 p -122.19 149.19 43.98 Favored 'General case' 0 N--CA 1.505 2.302 0 O-C-N 121.136 -0.977 . . . . 0.0 110.828 -178.558 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.4 t . . . . . 0 N--CA 1.498 1.949 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 178.951 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 . . . . . 0 N--CA 1.501 2.114 0 CA-C-O 121.732 0.777 . . . . 0.0 110.613 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -138.93 136.66 35.69 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 38' ' ' THR . 5.6 p -118.17 153.52 33.7 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.46 -0.775 . . . . 0.0 109.069 179.525 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.3 -18.98 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.328 -0.857 . . . . 0.0 110.779 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 36' ' ' THR . 5.5 m -69.46 -23.44 63.66 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.772 -1.205 . . . . 0.0 110.461 -179.155 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 88.1 p -111.14 17.16 20.61 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.189 -0.944 . . . . 0.0 109.967 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.5 p -52.67 -12.4 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 121.256 -0.903 . . . . 0.0 109.871 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 40.9 t -85.09 -53.02 5.54 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.896 -1.127 . . . . 0.0 110.738 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' A' ' 42' ' ' ASP . 0.0 OUTLIER -61.27 -23.57 65.76 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.904 -1.122 . . . . 0.0 109.044 -179.294 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.8 tp -74.21 -43.17 58.19 Favored 'General case' 0 N--CA 1.486 1.33 0 O-C-N 120.769 -1.207 . . . . 0.0 108.244 179.197 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 25.4 mttp -51.86 -35.01 43.43 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.102 -0.999 . . . . 0.0 109.288 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -74.96 -30.73 61.29 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.055 -1.028 . . . . 0.0 110.082 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -66.53 -28.76 68.8 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.299 -0.875 . . . . 0.0 109.629 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 97.1 mt -79.98 -35.14 15.78 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 121.157 -0.964 . . . . 0.0 109.146 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.54 -44.4 57.62 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.319 -0.863 . . . . 0.0 109.924 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -61.85 -34.46 76.01 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.148 -0.97 . . . . 0.0 110.451 -179.181 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 50' ' ' LEU . 46.3 mt -70.7 -33.02 70.45 Favored 'General case' 0 N--CA 1.5 2.046 0 C-N-CA 118.599 -1.24 . . . . 0.0 109.389 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -63.13 -29.86 71.13 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.74 -1.225 . . . . 0.0 108.759 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 72.4 t -83.01 -20.48 9.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.085 -1.009 . . . . 0.0 109.78 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -92.75 -8.68 43.11 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.042 -1.036 . . . . 0.0 109.607 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.496 1.873 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 -179.577 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.461 ' CD ' ' N ' ' A' ' 5' ' ' GLU . 2.0 mp0 . . . . . 0 N--CA 1.502 2.131 0 CA-C-O 121.008 0.432 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -66.91 -38.27 85.92 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.013 -1.055 . . . . 0.0 109.451 -179.296 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.464 ' O ' HD23 ' A' ' 7' ' ' LEU . 1.3 tt -51.16 -54.76 22.38 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.265 -0.897 . . . . 0.0 108.655 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.95 -39.95 63.31 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.481 -0.762 . . . . 0.0 110.107 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.88 -41.66 91.31 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.15 -0.969 . . . . 0.0 110.055 -179.563 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.12 -37.72 77.88 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.119 -0.988 . . . . 0.0 109.989 -179.541 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 44.8 mtp180 -63.04 -39.54 95.03 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.073 -1.017 . . . . 0.0 109.073 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.82 -32.21 69.17 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.415 -0.803 . . . . 0.0 109.579 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.35 -38.45 84.85 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.207 -0.933 . . . . 0.0 109.376 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 36.5 tp -60.16 -32.95 71.53 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.078 -1.014 . . . . 0.0 109.146 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.453 ' O ' ' OG1' ' A' ' 19' ' ' THR . 41.4 t60 -76.99 -39.2 51.31 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.204 -0.935 . . . . 0.0 110.835 -179.556 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.411 ' O ' ' O ' ' A' ' 21' ' ' LYS . 27.8 t70 -76.04 -31.51 58.87 Favored 'General case' 0 C--N 1.296 -1.749 0 O-C-N 120.881 -1.137 . . . . 0.0 111.419 -178.116 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 90.7 mt -78.54 -28.39 46.08 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.78 -1.2 . . . . 0.0 111.186 -178.774 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 26.1 ttm -104.24 -4.56 22.86 Favored 'General case' 0 N--CA 1.505 2.298 0 O-C-N 120.744 -1.223 . . . . 0.0 111.189 -178.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.453 ' OG1' ' O ' ' A' ' 15' ' ' HIS . 55.3 m -92.19 -23.2 19.45 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.727 -1.233 . . . . 0.0 110.026 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 164.79 -73.45 0.18 Allowed Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.481 -1.448 . . . . 0.0 109.481 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' A' ' 16' ' ' ASP . 18.7 ttmt -47.14 127.66 10.71 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.271 -1.135 . . . . 0.0 108.819 179.622 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 -93.19 -14.45 27.11 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.254 -0.904 . . . . 0.0 111.134 -178.638 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.7 t -107.88 144.7 16.15 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.34 0 O-C-N 121.002 -1.061 . . . . 0.0 111.247 -178.416 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -150.93 152.67 33.94 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 179.163 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 40.3 p -126.32 153.46 44.83 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.387 -0.821 . . . . 0.0 109.631 -179.434 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.9 t . . . . . 0 N--CA 1.5 2.05 0 O-C-N 121.163 -0.96 . . . . 0.0 108.984 179.112 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 . . . . . 0 N--CA 1.5 2.029 0 CA-C-O 121.659 0.742 . . . . 0.0 110.334 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -141.13 135.64 31.08 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.294 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 38' ' ' THR . 4.6 p -119.84 154.17 34.7 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.524 -0.735 . . . . 0.0 109.156 179.461 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -44.88 -18.45 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.267 -0.895 . . . . 0.0 110.748 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.471 ' N ' ' O ' ' A' ' 36' ' ' THR . 5.8 m -67.06 -23.1 65.84 Favored 'General case' 0 N--CA 1.486 1.347 0 O-C-N 120.746 -1.221 . . . . 0.0 110.198 -179.389 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.447 ' C ' ' H ' ' A' ' 41' ' ' SER . 92.9 p -114.07 16.98 18.06 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.175 -0.953 . . . . 0.0 110.589 -179.515 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.8 p -51.46 -10.92 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 120.981 -1.074 . . . . 0.0 109.358 179.584 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.447 ' H ' ' C ' ' A' ' 39' ' ' SER . 45.1 t -85.54 -52.54 5.76 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.064 -1.023 . . . . 0.0 110.893 -179.424 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' A' ' 42' ' ' ASP . 0.0 OUTLIER -64.63 -24.55 67.62 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.794 -1.191 . . . . 0.0 109.321 -179.102 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.1 tp -73.83 -44.11 56.7 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 120.653 -1.28 . . . . 0.0 107.725 178.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -51.69 -31.09 24.6 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 52.4 tttm -76.05 -39.77 54.77 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.454 -0.779 . . . . 0.0 109.755 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -60.66 -29.48 69.31 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.353 -0.842 . . . . 0.0 109.644 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 90.0 mt -77.94 -39.47 25.76 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.155 -0.966 . . . . 0.0 109.414 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.18 -40.33 71.32 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.194 -0.941 . . . . 0.0 109.899 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -62.2 -33.51 74.69 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.159 -0.963 . . . . 0.0 110.225 -179.464 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 48.6 mt -70.8 -31.81 68.69 Favored 'General case' 0 N--CA 1.498 1.962 0 C-N-CA 118.412 -1.315 . . . . 0.0 108.641 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -63.21 -29.76 71.03 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.027 -1.046 . . . . 0.0 109.34 179.588 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 75.6 t -83.9 -20.79 8.79 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 120.986 -1.071 . . . . 0.0 110.613 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -92.38 -9.56 41.31 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.788 -1.195 . . . . 0.0 109.335 -179.294 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.495 1.815 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 . . . . . 0 N--CA 1.506 2.357 0 CA-C-O 120.807 0.337 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -70.38 -39.26 74.68 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.761 -1.212 . . . . 0.0 109.522 -178.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 15.5 tp -50.77 -53.93 27.68 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.322 -0.861 . . . . 0.0 108.776 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.9 -42.71 69.02 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.469 -0.77 . . . . 0.0 109.975 -179.641 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.29 -34.3 77.38 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.205 -0.934 . . . . 0.0 110.021 -179.565 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.68 -43.02 81.13 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.056 -1.028 . . . . 0.0 109.823 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 57.6 mtp180 -58.52 -38.23 77.3 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.156 -0.965 . . . . 0.0 109.095 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.33 -37.6 81.13 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.463 -0.773 . . . . 0.0 109.407 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.57 -38.25 80.65 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.229 -0.919 . . . . 0.0 109.241 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.1 tp -64.47 -34.1 77.43 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.192 -0.943 . . . . 0.0 108.821 179.391 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 37.0 t60 -76.12 -40.43 52.86 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.263 -0.898 . . . . 0.0 110.715 -179.599 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -76.75 -31.16 56.89 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 120.87 -1.144 . . . . 0.0 111.595 -178.105 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 75.7 mt -77.07 -28.24 54.6 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 120.61 -1.306 . . . . 0.0 110.894 -179.078 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.449 ' CG ' ' O ' ' A' ' 18' ' ' MET . 19.3 ttm -102.79 0.86 33.39 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.006 -1.059 . . . . 0.0 110.482 -179.164 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 53.1 m -102.6 -24.07 13.81 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.141 -0.975 . . . . 0.0 110.184 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 171.84 -79.39 0.09 OUTLIER Glycine 0 N--CA 1.492 2.38 0 C-N-CA 119.413 -1.375 . . . . 0.0 110.352 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.406 ' HG3' ' H ' ' A' ' 21' ' ' LYS . 66.4 mttt -46.1 107.36 0.1 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.201 -1.176 . . . . 0.0 109.656 -179.565 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.567 ' NH1' ' CB ' ' A' ' 37' ' ' ALA . 17.3 mmm180 -72.15 -14.85 61.93 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.425 -0.797 . . . . 0.0 110.065 -179.319 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 45.6 t -109.38 149.18 12.65 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.17 0 O-C-N 121.32 -0.862 . . . . 0.0 110.569 -179.106 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.65 152.42 32.8 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.9 p -125.38 154.68 41.52 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.385 -0.822 . . . . 0.0 109.774 -179.482 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.8 t . . . . . 0 N--CA 1.499 2.015 0 O-C-N 121.174 -0.954 . . . . 0.0 108.746 178.841 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.469 ' N ' ' CD ' ' A' ' 34' ' ' GLU . 3.1 mp0 . . . . . 0 N--CA 1.497 1.892 0 CA-C-O 121.682 0.754 . . . . 0.0 110.62 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -134.31 136.01 43.19 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 179.017 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.469 ' O ' ' N ' ' A' ' 38' ' ' THR . 7.2 p -118.09 153.66 33.39 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.451 -0.78 . . . . 0.0 109.297 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.567 ' CB ' ' NH1' ' A' ' 22' ' ' ARG . . . -45.21 -17.9 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.42 -0.8 . . . . 0.0 110.655 -179.697 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.469 ' N ' ' O ' ' A' ' 36' ' ' THR . 3.2 p -68.54 -23.74 64.55 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.751 -1.218 . . . . 0.0 110.109 -179.376 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 41' ' ' SER . 89.1 p -113.03 16.36 19.35 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 121.161 -0.962 . . . . 0.0 110.172 -179.685 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.2 p -49.84 -11.38 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.775 0 O-C-N 120.88 -1.137 . . . . 0.0 109.385 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.494 ' N ' ' O ' ' A' ' 39' ' ' SER . 94.0 p -84.91 -52.92 5.66 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.03 -1.044 . . . . 0.0 110.621 -179.634 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.54 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 30.0 p-10 -61.41 -25.7 67.37 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.849 -1.157 . . . . 0.0 109.693 -179.209 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.54 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 7.9 tp -74.09 -40.37 62.79 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 178.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -51.65 -35.9 44.04 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.35 -0.844 . . . . 0.0 108.912 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -73.35 -45.59 54.2 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.175 -0.953 . . . . 0.0 109.88 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -52.16 -29.77 23.65 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.282 -0.886 . . . . 0.0 109.39 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 86.5 mt -77.47 -35.24 21.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.26 -0.9 . . . . 0.0 109.188 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.25 -42.59 62.35 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.21 -0.932 . . . . 0.0 110.0 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -61.16 -35.08 76.14 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.178 -0.951 . . . . 0.0 110.407 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 50' ' ' LEU . 55.4 mt -71.55 -31.97 67.6 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.525 -1.359 . . . . 0.0 109.143 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -61.98 -29.74 70.45 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.852 -1.155 . . . . 0.0 108.936 179.306 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 69.9 t -83.19 -20.68 9.24 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.051 -1.031 . . . . 0.0 109.781 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -91.83 -7.98 47.9 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.144 -0.972 . . . . 0.0 109.282 -179.475 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.497 1.887 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 -179.461 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 . . . . . 0 N--CA 1.503 2.2 0 CA-C-O 120.95 0.405 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -57.68 -37.4 73.37 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.941 -1.1 . . . . 0.0 109.126 -179.223 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 14.3 tp -51.11 -54.23 27.01 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.465 -0.772 . . . . 0.0 108.937 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.02 -35.97 62.51 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.423 -0.798 . . . . 0.0 109.984 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.19 -28.9 67.67 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.154 -0.966 . . . . 0.0 110.009 -179.586 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.21 -43.52 64.36 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.059 -1.026 . . . . 0.0 109.795 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.502 HH11 ' HG2' ' A' ' 11' ' ' ARG . 14.9 mtt-85 -58.89 -32.45 69.51 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.111 -0.993 . . . . 0.0 108.875 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.68 -40.57 88.6 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.416 -0.803 . . . . 0.0 109.715 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.23 -34.15 70.11 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.118 -0.989 . . . . 0.0 109.438 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.9 tp -68.58 -34.34 75.63 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.131 -0.981 . . . . 0.0 108.95 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.411 ' O ' ' OG1' ' A' ' 19' ' ' THR . 64.1 m80 -76.89 -40.05 48.83 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.258 -0.901 . . . . 0.0 110.583 -179.574 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -76.15 -29.88 57.94 Favored 'General case' 0 C--N 1.295 -1.774 0 O-C-N 120.886 -1.134 . . . . 0.0 111.379 -178.015 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 50.8 mt -78.86 -29.6 44.62 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 120.636 -1.29 . . . . 0.0 110.933 -179.262 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.45 ' CG ' ' O ' ' A' ' 18' ' ' MET . 21.0 ttm -102.37 0.08 33.47 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 120.851 -1.156 . . . . 0.0 110.615 -178.683 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 15' ' ' HIS . 23.8 m -96.35 -22.7 17.03 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.033 -1.042 . . . . 0.0 109.551 179.544 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 166.8 -65.31 0.2 Allowed Glycine 0 N--CA 1.493 2.45 0 C-N-CA 119.675 -1.25 . . . . 0.0 110.006 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.475 ' CD ' ' H ' ' A' ' 21' ' ' LYS . 12.7 mptt -46.24 131.46 10.37 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.227 -1.16 . . . . 0.0 109.43 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -93.98 -13.58 26.85 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.335 -0.853 . . . . 0.0 110.221 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.2 p -121.61 147.77 25.4 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.356 0 O-C-N 121.391 -0.818 . . . . 0.0 111.047 -178.725 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -149.97 152.43 34.92 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 179.131 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 46.9 p -139.34 145.41 39.01 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.144 -0.972 . . . . 0.0 109.99 -179.434 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.8 m . . . . . 0 N--CA 1.498 1.937 0 O-C-N 121.25 -0.906 . . . . 0.0 108.683 178.731 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 . . . . . 0 N--CA 1.499 1.993 0 CA-C-O 121.554 0.692 . . . . 0.0 109.956 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -139.02 135.47 34.29 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 38' ' ' THR . 8.8 p -118.47 152.87 35.12 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.598 -0.689 . . . . 0.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.04 -18.56 0.05 Allowed 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.35 -0.844 . . . . 0.0 110.539 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.44 ' N ' ' O ' ' A' ' 36' ' ' THR . 6.8 m -70.89 -23.5 62.3 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.761 -1.212 . . . . 0.0 110.596 -179.097 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 41' ' ' SER . 99.5 p -112.59 16.2 19.81 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.052 -1.03 . . . . 0.0 109.88 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.7 p -49.58 -11.69 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.123 -0.986 . . . . 0.0 109.472 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 39' ' ' SER . 94.4 p -83.78 -52.58 6.28 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.041 -1.037 . . . . 0.0 110.626 -179.779 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.564 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 54.7 p30 -59.42 -24.32 63.38 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.829 -1.169 . . . . 0.0 109.646 -179.258 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.564 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 7.6 tp -74.76 -43.1 56.64 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 120.898 -1.126 . . . . 0.0 108.415 179.198 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.8 mttp -51.6 -34.67 38.31 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.002 -1.062 . . . . 0.0 109.011 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.5 mmpt? -69.72 -41.6 75.1 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.121 -0.987 . . . . 0.0 109.451 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.591 ' CZ ' HD11 ' A' ' 50' ' ' LEU . 35.9 t80 -58.72 -27.35 64.8 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.357 -0.839 . . . . 0.0 109.503 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 91.4 mt -80.24 -32.64 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.203 -0.936 . . . . 0.0 108.84 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.25 -45.37 56.28 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.314 -0.866 . . . . 0.0 110.289 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -62.4 -42.41 99.41 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.078 -1.014 . . . . 0.0 110.395 -179.058 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.591 HD11 ' CZ ' ' A' ' 46' ' ' TYR . 36.5 mt -61.91 -33.33 74.04 Favored 'General case' 0 N--CA 1.5 2.066 0 C-N-CA 118.702 -1.199 . . . . 0.0 109.438 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -65.51 -29.81 70.49 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.701 -1.25 . . . . 0.0 109.183 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 68.7 t -82.92 -20.28 9.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 120.997 -1.064 . . . . 0.0 109.579 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -91.63 -8.2 47.9 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.075 -1.016 . . . . 0.0 109.261 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.496 1.859 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 -179.591 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.441 ' CD ' ' N ' ' A' ' 5' ' ' GLU . 20.7 mp0 . . . . . 0 N--CA 1.5 2.072 0 CA-C-O 121.108 0.48 . . . . 0.0 110.27 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.406 ' OE2' HD13 ' A' ' 50' ' ' LEU . 1.0 OUTLIER -46.86 -30.27 2.41 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.237 -0.915 . . . . 0.0 109.92 -179.11 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 14.3 tp -60.32 -54.35 46.71 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.112 -0.993 . . . . 0.0 108.999 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.28 -32.36 37.01 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.461 -0.774 . . . . 0.0 110.257 -179.424 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.17 -39.5 71.85 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.096 -1.002 . . . . 0.0 110.138 -179.402 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.77 -38.27 90.47 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.169 -0.957 . . . . 0.0 110.011 -179.57 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -63.53 -39.4 94.33 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.123 -0.986 . . . . 0.0 109.316 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.92 -33.71 72.24 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.289 -0.882 . . . . 0.0 109.586 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.79 -41.78 95.57 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.221 -0.924 . . . . 0.0 109.524 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 21.5 tp -58.77 -34.69 71.71 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.079 -1.013 . . . . 0.0 108.9 179.54 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 77.0 m80 -76.74 -49.99 14.67 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.005 -1.06 . . . . 0.0 110.738 -179.648 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -67.23 -28.09 67.77 Favored 'General case' 0 C--N 1.295 -1.773 0 C-N-CA 119.018 -1.073 . . . . 0.0 111.426 -177.827 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 32.0 mt -77.79 -31.73 52.04 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 120.548 -1.345 . . . . 0.0 110.316 -179.515 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 5.3 tpt -103.73 -0.35 29.51 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 120.982 -1.074 . . . . 0.0 110.213 -179.433 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 51.3 m -96.62 -23.63 16.4 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.812 -1.18 . . . . 0.0 109.889 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 170.06 -78.4 0.1 OUTLIER Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.8 mtpm? -46.87 107.71 0.12 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.155 -1.203 . . . . 0.0 109.385 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 50.6 mtp180 -72.07 -15.22 62.01 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.363 -0.835 . . . . 0.0 110.266 -179.442 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 62.1 t -107.99 148.6 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.098 0 O-C-N 121.227 -0.921 . . . . 0.0 110.693 -178.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -152.11 152.88 32.9 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 179.126 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.8 m -140.96 140.17 34.36 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.019 -1.051 . . . . 0.0 110.178 -179.367 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.498 1.949 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.889 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 . . . . . 0 N--CA 1.496 1.838 0 CA-C-O 121.576 0.703 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -138.61 135.08 34.57 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 179.566 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.465 ' O ' ' N ' ' A' ' 38' ' ' THR . 6.9 p -119.51 153.62 35.07 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.508 -0.745 . . . . 0.0 109.214 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.51 -17.87 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.326 -0.859 . . . . 0.0 110.762 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.465 ' N ' ' O ' ' A' ' 36' ' ' THR . 3.3 p -68.51 -23.45 64.54 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.682 -1.261 . . . . 0.0 110.27 -179.421 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.523 ' O ' ' N ' ' A' ' 41' ' ' SER . 96.7 p -113.82 16.52 18.43 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 121.172 -0.955 . . . . 0.0 110.188 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.6 p -48.22 -11.96 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 121.035 -1.041 . . . . 0.0 109.692 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.523 ' N ' ' O ' ' A' ' 39' ' ' SER . 45.3 t -83.87 -52.7 6.15 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.879 -1.138 . . . . 0.0 110.762 -179.691 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.549 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 43.5 p-10 -61.14 -24.49 66.31 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.875 -1.14 . . . . 0.0 109.829 -179.237 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.549 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 8.2 tp -74.12 -42.86 59.37 Favored 'General case' 0 N--CA 1.486 1.333 0 O-C-N 120.819 -1.176 . . . . 0.0 108.398 179.076 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.3 mttp -51.65 -36.27 45.48 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.017 -1.052 . . . . 0.0 108.705 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.6 tttm -66.98 -45.09 78.73 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.316 -0.865 . . . . 0.0 109.489 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.52 ' CZ ' HD11 ' A' ' 50' ' ' LEU . 38.8 t80 -55.7 -29.25 59.09 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.478 -0.764 . . . . 0.0 109.547 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 86.0 mt -78.95 -34.22 16.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.253 -0.904 . . . . 0.0 109.28 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.89 -37.27 64.74 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.219 -0.926 . . . . 0.0 110.083 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -68.16 -34.43 76.3 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.175 -0.953 . . . . 0.0 110.582 -179.104 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.52 HD11 ' CZ ' ' A' ' 46' ' ' TYR . 60.3 mt -71.95 -31.98 66.84 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 120.627 -1.296 . . . . 0.0 109.38 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -67.3 -29.09 68.59 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.805 -1.184 . . . . 0.0 109.461 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 69.5 t -82.03 -20.78 10.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 120.964 -1.085 . . . . 0.0 109.992 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 19.9 mm100 -92.02 -8.28 46.45 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.084 -1.01 . . . . 0.0 109.082 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.496 1.834 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.401 ' N ' ' CD ' ' A' ' 5' ' ' GLU . 9.3 mp0 . . . . . 0 N--CA 1.498 1.951 0 CA-C-O 121.221 0.534 . . . . 0.0 109.777 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.416 ' OE2' ' N ' ' A' ' 7' ' ' LEU . 1.7 pp20? -49.12 -39.52 28.75 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.29 -0.881 . . . . 0.0 110.235 -179.58 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.605 ' O ' HD23 ' A' ' 7' ' ' LEU . 5.3 tt -51.56 -49.11 62.68 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.972 -1.08 . . . . 0.0 108.868 179.358 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.38 -37.12 69.65 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.465 -0.772 . . . . 0.0 110.61 -179.625 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.83 -34.3 60.11 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.885 -1.134 . . . . 0.0 111.002 -178.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.95 -49.13 77.34 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.964 -1.085 . . . . 0.0 110.501 -179.084 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 -62.73 -36.34 82.7 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 120.886 -1.134 . . . . 0.0 108.698 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.48 -30.24 60.23 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 178.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.39 -43.83 84.78 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 179.214 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.3 tp -51.9 -33.68 38.01 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.273 -0.892 . . . . 0.0 108.91 179.419 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.435 ' CE1' ' OG1' ' A' ' 19' ' ' THR . 82.5 t60 -76.47 -51.25 12.13 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.121 -0.987 . . . . 0.0 110.962 -179.289 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -65.55 -28.57 69.26 Favored 'General case' 0 C--N 1.293 -1.849 0 O-C-N 120.941 -1.099 . . . . 0.0 111.473 -177.752 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.485 ' O ' ' NH2' ' A' ' 22' ' ' ARG . 41.1 mt -77.92 -32.22 51.51 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 120.575 -1.328 . . . . 0.0 110.483 -179.313 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 2.2 tpt -104.99 -5.31 21.09 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 120.848 -1.158 . . . . 0.0 110.571 -179.248 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.435 ' OG1' ' CE1' ' A' ' 15' ' ' HIS . 84.6 m -91.25 -23.38 20.2 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.64 -1.287 . . . . 0.0 110.153 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.527 ' O ' ' NE ' ' A' ' 22' ' ' ARG . . . 173.87 -79.3 0.08 OUTLIER Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.833 -1.307 . . . . 0.0 109.833 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 45.1 mttm -46.97 133.45 11.18 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.239 -1.153 . . . . 0.0 109.412 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.527 ' NE ' ' O ' ' A' ' 20' ' ' GLY . 3.6 mmp_? -92.56 -15.05 27.43 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.243 -0.91 . . . . 0.0 109.896 -179.58 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.6 t -110.74 149.48 13.57 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.012 0 O-C-N 121.39 -0.819 . . . . 0.0 110.56 -179.113 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.62 152.87 33.43 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 179.139 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 22.0 p -139.33 146.42 40.26 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.146 -0.971 . . . . 0.0 110.025 -179.228 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.4 m . . . . . 0 N--CA 1.498 1.941 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 178.813 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.477 ' N ' ' CD ' ' A' ' 34' ' ' GLU . 4.2 mp0 . . . . . 0 N--CA 1.497 1.924 0 CA-C-O 121.632 0.729 . . . . 0.0 110.294 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -140.68 134.82 30.93 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 179.576 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.461 ' O ' ' N ' ' A' ' 38' ' ' THR . 6.9 p -120.09 153.46 36.08 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.582 -0.699 . . . . 0.0 109.121 179.662 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.63 -17.84 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.251 -0.906 . . . . 0.0 110.665 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 36' ' ' THR . 3.0 p -68.13 -23.39 64.89 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.73 -1.231 . . . . 0.0 110.078 -179.398 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.523 ' O ' ' N ' ' A' ' 41' ' ' SER . 96.5 p -114.11 16.79 18.05 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.166 -0.959 . . . . 0.0 110.262 -179.718 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.2 p -49.03 -10.9 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 120.897 -1.127 . . . . 0.0 109.537 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.523 ' N ' ' O ' ' A' ' 39' ' ' SER . 47.7 t -83.85 -52.44 6.37 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.042 -1.036 . . . . 0.0 110.635 -179.663 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.552 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 41.9 p-10 -61.95 -26.54 68.26 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.795 -1.19 . . . . 0.0 109.971 -179.118 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.552 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 6.9 tp -73.75 -39.57 64.13 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 120.771 -1.206 . . . . 0.0 107.95 178.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -52.18 -36.35 51.51 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.479 -0.763 . . . . 0.0 108.954 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -75.5 -30.78 59.95 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.23 -0.919 . . . . 0.0 110.377 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.472 ' CZ ' HD11 ' A' ' 50' ' ' LEU . 36.0 t80 -65.16 -30.5 71.42 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.062 -1.024 . . . . 0.0 109.968 -179.407 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 97.3 mt -80.47 -32.71 13.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 121.056 -1.028 . . . . 0.0 108.903 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.18 -42.02 60.54 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.325 -0.86 . . . . 0.0 109.912 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -64.48 -34.94 79.38 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.197 -0.939 . . . . 0.0 110.484 -179.081 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.472 HD11 ' CZ ' ' A' ' 46' ' ' TYR . 55.1 mt -71.39 -32.51 68.52 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.71 -1.244 . . . . 0.0 109.492 -179.81 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -64.73 -29.4 70.38 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.807 -1.183 . . . . 0.0 109.059 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 70.4 t -82.65 -20.32 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.153 -0.967 . . . . 0.0 110.331 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 -92.01 -9.37 43.11 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.752 -1.217 . . . . 0.0 109.261 -179.389 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.494 1.737 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.456 ' CD ' ' N ' ' A' ' 5' ' ' GLU . 12.3 mp0 . . . . . 0 N--CA 1.505 2.294 0 CA-C-O 120.915 0.388 . . . . 0.0 111.619 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -69.33 -40.41 77.6 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.699 -1.251 . . . . 0.0 109.888 -178.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.5 tp -51.22 -52.33 45.54 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.035 -1.041 . . . . 0.0 108.569 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.66 -40.92 63.33 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.397 -0.814 . . . . 0.0 109.821 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.64 -33.67 75.5 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.306 -0.871 . . . . 0.0 110.028 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.36 -41.62 76.31 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.056 -1.028 . . . . 0.0 110.067 -179.53 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 56.4 mtp180 -61.69 -35.76 78.93 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.058 -1.026 . . . . 0.0 109.004 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.4 ' O ' ' OD2' ' A' ' 16' ' ' ASP . . . -64.13 -33.5 75.91 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.526 -0.734 . . . . 0.0 109.5 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.65 -35.98 82.78 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.162 -0.961 . . . . 0.0 109.27 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.6 tp -65.04 -36.0 82.96 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.132 -0.98 . . . . 0.0 108.862 179.446 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.438 ' O ' ' OG1' ' A' ' 19' ' ' THR . 80.9 m80 -76.86 -48.7 17.61 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.966 -1.084 . . . . 0.0 110.596 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.4 ' OD2' ' O ' ' A' ' 12' ' ' ALA . 23.0 m-20 -66.48 -29.02 69.05 Favored 'General case' 0 C--N 1.292 -1.898 0 O-C-N 121.118 -0.989 . . . . 0.0 111.472 -177.759 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 35.3 mt -78.52 -32.27 47.94 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 120.582 -1.324 . . . . 0.0 110.415 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 6.5 tpt -103.85 -0.12 29.56 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.036 -1.04 . . . . 0.0 110.371 -178.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.438 ' OG1' ' O ' ' A' ' 15' ' ' HIS . 27.9 m -92.86 -23.82 18.68 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.838 -1.164 . . . . 0.0 109.709 179.637 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 175.94 -81.65 0.07 OUTLIER Glycine 0 N--CA 1.49 2.256 0 C-N-CA 119.558 -1.306 . . . . 0.0 110.117 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.1 mttp -49.97 137.68 16.6 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.254 -1.145 . . . . 0.0 109.206 -179.553 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 63.4 mtm180 -93.19 -14.65 26.86 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.377 -0.827 . . . . 0.0 110.268 -179.56 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 41.6 t -107.47 149.7 10.65 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.178 0 O-C-N 121.185 -0.947 . . . . 0.0 111.136 -178.592 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.7 153.05 33.61 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 178.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.6 p -136.61 144.05 43.89 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.12 -0.987 . . . . 0.0 110.314 -179.161 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.2 m . . . . . 0 N--CA 1.496 1.847 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 178.39 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 . . . . . 0 N--CA 1.499 1.976 0 CA-C-O 121.585 0.707 . . . . 0.0 110.523 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -137.91 135.21 35.88 Favored 'General case' 0 N--CA 1.496 1.825 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 179.372 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 38' ' ' THR . 7.7 p -118.87 153.93 33.74 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.506 -0.746 . . . . 0.0 109.443 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.69 -18.75 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.38 -0.825 . . . . 0.0 110.78 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 36' ' ' THR . 6.7 m -71.05 -22.4 62.13 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.714 -1.241 . . . . 0.0 110.626 -179.175 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.401 ' C ' ' N ' ' A' ' 41' ' ' SER . 86.9 p -114.37 17.71 17.33 Favored 'General case' 0 N--CA 1.505 2.283 0 O-C-N 121.177 -0.952 . . . . 0.0 109.911 -179.658 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.1 p -51.42 -12.0 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 121.346 -0.847 . . . . 0.0 110.04 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.401 ' N ' ' C ' ' A' ' 39' ' ' SER . 48.7 m -83.76 -52.88 6.03 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.766 -1.208 . . . . 0.0 110.827 -179.634 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' A' ' 42' ' ' ASP . 0.0 OUTLIER -59.28 -23.31 62.29 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.834 -1.166 . . . . 0.0 109.174 -179.306 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.1 tp -75.19 -40.79 59.02 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 120.793 -1.192 . . . . 0.0 108.001 178.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.2 mttm -51.39 -36.53 43.89 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.185 -0.947 . . . . 0.0 108.825 179.523 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -69.62 -45.39 68.64 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.122 -0.986 . . . . 0.0 109.652 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.534 ' CZ ' HD11 ' A' ' 50' ' ' LEU . 46.7 t80 -53.83 -28.66 36.94 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.359 -0.838 . . . . 0.0 109.565 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 91.4 mt -78.22 -33.19 17.54 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.243 -0.911 . . . . 0.0 109.161 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.92 -41.9 61.42 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.262 -0.899 . . . . 0.0 109.992 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -64.19 -33.7 76.39 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.212 -0.93 . . . . 0.0 110.588 -178.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.534 HD11 ' CZ ' ' A' ' 46' ' ' TYR . 59.3 mt -72.89 -32.55 65.45 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 120.703 -1.248 . . . . 0.0 109.477 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -63.83 -29.49 70.68 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.728 -1.233 . . . . 0.0 108.833 179.457 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 77.1 t -82.81 -20.5 9.62 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.147 -0.97 . . . . 0.0 109.738 179.707 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -92.47 -8.37 44.84 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.061 -1.024 . . . . 0.0 109.587 -179.439 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.496 1.874 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 -179.442 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 . . . . . 0 N--CA 1.501 2.084 0 CA-C-O 121.132 0.491 . . . . 0.0 109.896 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.632 ' H ' ' CD ' ' A' ' 6' ' ' GLU . 2.0 pm0 -47.47 -33.09 5.79 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.115 -0.99 . . . . 0.0 109.679 -179.197 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 14.0 tp -55.95 -54.56 43.26 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.159 -0.963 . . . . 0.0 108.692 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.97 -33.59 38.51 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.47 -0.769 . . . . 0.0 110.235 -179.441 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.5 -34.96 76.81 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.119 -0.988 . . . . 0.0 110.078 -179.491 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.88 -39.68 79.64 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.122 -0.986 . . . . 0.0 109.954 -179.638 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -63.07 -35.03 78.88 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.157 -0.964 . . . . 0.0 109.101 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.69 -35.04 79.74 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.423 -0.798 . . . . 0.0 109.654 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.35 -38.52 91.46 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.053 -1.03 . . . . 0.0 109.423 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.0 tp -65.1 -34.75 79.16 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.096 -1.002 . . . . 0.0 108.806 179.425 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 15.2 t-80 -76.21 -38.73 56.07 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.197 -0.94 . . . . 0.0 110.451 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -77.26 -35.19 55.48 Favored 'General case' 0 C--N 1.296 -1.739 0 O-C-N 120.962 -1.087 . . . . 0.0 111.38 -178.132 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 53.8 mt -72.98 -29.41 63.03 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 120.724 -1.235 . . . . 0.0 110.702 -179.064 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.459 ' CG ' ' O ' ' A' ' 18' ' ' MET . 19.6 ttm -102.32 0.87 34.87 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 120.96 -1.087 . . . . 0.0 110.571 -178.846 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.5 m -94.47 -23.96 17.51 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.904 -1.123 . . . . 0.0 109.492 179.502 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 172.62 -79.42 0.08 OUTLIER Glycine 0 N--CA 1.491 2.341 0 C-N-CA 119.512 -1.327 . . . . 0.0 110.255 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.1 mtpt -47.21 137.82 7.67 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.161 -1.2 . . . . 0.0 109.468 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.03 -15.49 26.1 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.363 -0.835 . . . . 0.0 110.02 -179.538 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.2 p -109.0 148.89 12.52 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.203 0 CA-C-O 121.872 0.844 . . . . 0.0 111.495 -177.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.92 153.45 34.14 Favored 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 179.14 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.5 m -138.46 144.45 40.09 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.096 -1.002 . . . . 0.0 110.14 -179.145 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.7 m . . . . . 0 N--CA 1.498 1.954 0 O-C-N 121.196 -0.94 . . . . 0.0 108.88 178.954 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 . . . . . 0 N--CA 1.496 1.855 0 CA-C-O 121.553 0.692 . . . . 0.0 110.081 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -136.27 136.02 39.47 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 179.714 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 38' ' ' THR . 8.3 p -118.16 152.73 35.08 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.587 -0.695 . . . . 0.0 109.225 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.96 -18.0 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.4 -0.813 . . . . 0.0 110.64 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 36' ' ' THR . 3.8 p -70.19 -23.65 62.99 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.668 -1.27 . . . . 0.0 110.352 -179.179 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.506 ' O ' ' N ' ' A' ' 41' ' ' SER . 94.2 p -112.32 16.12 20.1 Favored 'General case' 0 N--CA 1.503 2.214 0 O-C-N 121.181 -0.949 . . . . 0.0 109.872 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.0 p -48.95 -11.66 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.127 -0.983 . . . . 0.0 109.638 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.506 ' N ' ' O ' ' A' ' 39' ' ' SER . 47.7 t -84.45 -52.86 5.84 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.926 -1.109 . . . . 0.0 110.625 -179.728 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.556 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 46.2 p-10 -59.88 -24.71 64.49 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.87 -1.144 . . . . 0.0 109.639 -179.286 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.556 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 7.4 tp -74.64 -42.39 58.64 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.949 -1.095 . . . . 0.0 108.452 179.077 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.1 mttp -51.55 -34.44 36.65 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.061 -1.024 . . . . 0.0 108.926 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.6 ttpm? -70.61 -44.16 67.84 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.118 -0.989 . . . . 0.0 109.555 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.582 ' CZ ' HD11 ' A' ' 50' ' ' LEU . 32.0 t80 -55.16 -27.54 46.41 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.322 -0.861 . . . . 0.0 109.468 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 89.0 mt -79.37 -32.54 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.156 -0.965 . . . . 0.0 108.831 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.18 -48.21 37.19 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.378 -0.826 . . . . 0.0 110.275 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -58.87 -42.43 89.44 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.093 -1.004 . . . . 0.0 110.295 -179.107 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.582 HD11 ' CZ ' ' A' ' 46' ' ' TYR . 41.6 mt -62.58 -32.37 73.34 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 120.723 -1.236 . . . . 0.0 109.254 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -64.14 -29.99 71.08 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.805 -1.184 . . . . 0.0 109.467 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 71.5 t -82.91 -20.79 9.37 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 O-C-N 120.907 -1.121 . . . . 0.0 110.068 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 48.0 mm-40 -92.47 -8.42 44.7 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.887 -1.133 . . . . 0.0 109.474 -179.454 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.496 1.833 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 -179.645 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 . . . . . 0 N--CA 1.502 2.139 0 CA-C-O 121.127 0.489 . . . . 0.0 109.949 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -47.15 -33.16 4.9 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.177 -0.952 . . . . 0.0 110.035 -179.093 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.9 tp -58.15 -54.6 45.12 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.163 -0.961 . . . . 0.0 108.995 179.583 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.49 -33.84 46.68 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.408 -0.807 . . . . 0.0 110.334 -179.278 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.75 -35.53 77.22 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.058 -1.026 . . . . 0.0 110.146 -179.334 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.68 -40.4 84.4 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.119 -0.988 . . . . 0.0 109.885 -179.615 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 66.9 mtm180 -60.92 -35.76 77.55 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.192 -0.942 . . . . 0.0 109.236 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.86 -39.29 93.98 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.403 -0.811 . . . . 0.0 109.621 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.75 -39.77 81.92 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.127 -0.983 . . . . 0.0 109.333 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.9 tp -61.49 -33.76 74.33 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.033 -1.042 . . . . 0.0 108.675 179.395 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -76.61 -40.9 48.02 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.269 -0.894 . . . . 0.0 110.775 -179.653 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -76.47 -31.08 57.57 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 120.947 -1.096 . . . . 0.0 111.471 -178.105 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 75.3 mt -77.65 -28.34 51.26 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 120.612 -1.305 . . . . 0.0 110.852 -178.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.437 ' CG ' ' O ' ' A' ' 18' ' ' MET . 21.3 ttm -102.7 0.06 32.47 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 120.841 -1.162 . . . . 0.0 110.516 -179.27 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.2 m -96.94 -23.28 16.39 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.051 -1.031 . . . . 0.0 109.698 179.548 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 166.71 -73.2 0.16 Allowed Glycine 0 N--CA 1.492 2.386 0 C-N-CA 119.614 -1.279 . . . . 0.0 109.98 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.4 mmmt -44.93 129.88 7.34 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.304 -1.115 . . . . 0.0 109.226 -179.511 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.558 ' CG ' HH11 ' A' ' 22' ' ' ARG . 0.2 OUTLIER -92.92 -14.85 27.05 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.253 -0.905 . . . . 0.0 110.26 -179.289 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 98.1 t -113.01 147.98 16.28 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.155 0 O-C-N 121.262 -0.899 . . . . 0.0 110.487 -178.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.32 152.06 32.64 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 179.306 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.5 p -122.39 156.01 34.86 Favored 'General case' 0 N--CA 1.503 2.224 0 O-C-N 121.406 -0.809 . . . . 0.0 109.846 -179.494 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.9 t . . . . . 0 N--CA 1.499 1.98 0 O-C-N 121.257 -0.902 . . . . 0.0 108.933 179.099 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 . . . . . 0 N--CA 1.499 2.002 0 CA-C-O 121.799 0.809 . . . . 0.0 110.647 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -140.53 135.78 32.22 Favored 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.064 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 38' ' ' THR . 5.9 p -118.71 153.44 34.38 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.528 -0.733 . . . . 0.0 109.226 179.781 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.27 -18.01 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.324 -0.86 . . . . 0.0 110.761 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.463 ' N ' ' O ' ' A' ' 36' ' ' THR . 3.4 p -69.54 -23.49 63.58 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.727 -1.233 . . . . 0.0 110.194 -179.331 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.439 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 91.3 p -112.71 16.74 19.53 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.212 -0.93 . . . . 0.0 110.099 -179.572 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.0 p -50.54 -12.77 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 121.002 -1.061 . . . . 0.0 109.638 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 39' ' ' SER . 44.8 t -85.28 -52.89 5.58 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.918 -1.114 . . . . 0.0 110.581 -179.809 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.544 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 28.0 p-10 -60.08 -23.8 64.09 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.884 -1.135 . . . . 0.0 109.43 -179.389 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.544 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 8.9 tp -74.28 -42.18 60.01 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 120.941 -1.099 . . . . 0.0 108.113 179.027 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 38.5 mttm -51.52 -36.49 44.99 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.11 -0.994 . . . . 0.0 108.897 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -70.99 -45.75 63.47 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.108 -0.995 . . . . 0.0 109.91 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -53.82 -29.19 39.62 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.245 -0.909 . . . . 0.0 109.263 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 86.7 mt -78.87 -32.75 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.234 -0.916 . . . . 0.0 108.923 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.9 -38.67 64.28 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.336 -0.853 . . . . 0.0 109.915 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -66.82 -34.77 78.55 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.194 -0.941 . . . . 0.0 110.491 -179.112 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 50' ' ' LEU . 47.7 mt -71.61 -32.11 67.65 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 120.718 -1.239 . . . . 0.0 109.427 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -66.35 -29.33 69.49 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.825 -1.172 . . . . 0.0 109.279 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 70.5 t -82.03 -20.88 10.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.003 -1.061 . . . . 0.0 109.825 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -91.49 -8.53 47.4 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.984 -1.072 . . . . 0.0 108.852 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.495 1.796 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.2 mmm . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.6 m -144.01 83.78 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 O-C-N 121.237 -0.914 . . . . 0.0 109.623 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.418 ' N ' ' CD ' ' A' ' 3' ' ' ARG . 10.5 mpt_? -78.24 13.44 1.5 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.903 -1.123 . . . . 0.0 108.732 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -43.52 -38.75 3.06 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.543 -0.723 . . . . 0.0 110.897 -179.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.466 ' CD ' ' N ' ' A' ' 5' ' ' GLU . 17.3 mp0 -74.68 -75.4 0.16 Allowed 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.793 -1.192 . . . . 0.0 110.345 -179.187 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -47.3 -33.19 5.38 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.062 -1.024 . . . . 0.0 109.868 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.9 tp -56.12 -54.55 43.71 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.08 -1.012 . . . . 0.0 108.892 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.409 ' HA ' ' HE ' ' A' ' 11' ' ' ARG . . . -53.49 -31.15 44.67 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.469 -0.769 . . . . 0.0 110.252 -179.424 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.88 -37.77 73.05 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.095 -1.003 . . . . 0.0 110.163 -179.371 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.54 -41.85 92.58 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.092 -1.005 . . . . 0.0 109.858 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.409 ' HE ' ' HA ' ' A' ' 8' ' ' ALA . 72.0 mtm180 -58.76 -38.08 77.68 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.158 -0.964 . . . . 0.0 109.153 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.2 -39.74 87.6 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.416 -0.802 . . . . 0.0 109.615 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.23 -39.85 80.17 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.179 -0.951 . . . . 0.0 109.38 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 24.6 tp -61.14 -33.43 73.39 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.103 -0.998 . . . . 0.0 108.86 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.402 ' O ' ' OG1' ' A' ' 19' ' ' THR . 60.3 t-80 -75.68 -41.15 54.57 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.281 -0.887 . . . . 0.0 110.831 -179.431 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -76.27 -37.65 57.28 Favored 'General case' 0 C--N 1.297 -1.688 0 O-C-N 120.825 -1.172 . . . . 0.0 111.459 -178.126 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 72.5 mt -69.82 -29.11 66.31 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.672 -1.267 . . . . 0.0 110.908 -178.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.432 ' O ' ' CG ' ' A' ' 18' ' ' MET . 21.4 ttm -102.36 0.26 33.78 Favored 'General case' 0 N--CA 1.502 2.133 0 O-C-N 120.863 -1.148 . . . . 0.0 110.497 -179.177 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 15' ' ' HIS . 15.8 m -96.83 -23.19 16.49 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.063 -1.023 . . . . 0.0 109.596 179.577 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 165.67 -71.26 0.18 Allowed Glycine 0 N--CA 1.491 2.361 0 C-N-CA 119.562 -1.304 . . . . 0.0 110.083 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 42.3 mttp -45.69 130.39 9.12 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.264 -1.139 . . . . 0.0 109.672 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -92.48 -15.11 27.51 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.317 -0.864 . . . . 0.0 110.06 -179.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.4 p -111.57 145.34 17.89 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.289 0 O-C-N 121.485 -0.759 . . . . 0.0 110.55 -179.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.93 132.34 13.77 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 179.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.7 p -107.83 156.01 19.62 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.339 -0.85 . . . . 0.0 109.764 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.5 t -139.88 134.36 37.32 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 O-C-N 121.27 -0.894 . . . . 0.0 108.8 178.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -88.24 103.42 15.77 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.239 -0.913 . . . . 0.0 109.316 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.431 ' CB ' ' NZ ' ' A' ' 28' ' ' LYS . 5.9 mtmp? -130.94 121.11 24.58 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.482 -0.761 . . . . 0.0 108.958 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.528 ' O ' ' N ' ' A' ' 31' ' ' ARG . 3.2 m-20 53.06 57.25 6.5 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.313 -0.867 . . . . 0.0 109.934 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 47.4 11.03 0.07 OUTLIER Glycine 0 N--CA 1.491 2.353 0 N-CA-C 110.337 -1.105 . . . . 0.0 110.337 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.528 ' N ' ' O ' ' A' ' 29' ' ' ASP . 68.8 mtm180 -114.77 130.01 56.78 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.079 -1.248 . . . . 0.0 109.654 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -99.17 134.22 42.33 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 178.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 44.7 t -127.73 144.29 38.03 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.302 0 O-C-N 121.152 -0.967 . . . . 0.0 109.253 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.477 ' N ' ' CD ' ' A' ' 34' ' ' GLU . 3.1 mp0 -100.83 153.58 19.36 Favored 'General case' 0 N--CA 1.497 1.919 0 CA-C-O 121.793 0.806 . . . . 0.0 110.875 -178.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -141.21 136.32 31.63 Favored 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.078 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 38' ' ' THR . 9.3 p -117.87 153.03 34.22 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.461 -0.775 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.81 -18.75 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.412 -0.805 . . . . 0.0 110.604 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 36' ' ' THR . 6.4 m -69.51 -23.79 63.66 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 120.715 -1.24 . . . . 0.0 110.346 -179.341 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 41' ' ' SER . 88.4 p -111.25 16.24 21.06 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.207 -0.933 . . . . 0.0 110.053 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.7 p -50.64 -12.45 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.06 -1.025 . . . . 0.0 109.353 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 39' ' ' SER . 90.1 p -84.99 -52.85 5.69 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.958 -1.089 . . . . 0.0 110.608 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.542 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 28.6 p-10 -60.69 -23.82 65.15 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.852 -1.155 . . . . 0.0 109.437 -179.359 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.542 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 7.8 tp -74.0 -41.56 61.7 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 120.889 -1.132 . . . . 0.0 107.969 178.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 41.3 mttm -51.37 -37.16 46.67 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.109 -0.994 . . . . 0.0 108.798 179.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.4 ttmm -70.31 -45.86 65.41 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.159 -0.963 . . . . 0.0 109.809 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -53.09 -28.84 27.18 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.328 -0.858 . . . . 0.0 109.33 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 88.7 mt -79.51 -33.47 15.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.236 -0.915 . . . . 0.0 109.11 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.17 -37.04 64.1 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.306 -0.871 . . . . 0.0 109.949 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -68.37 -33.86 75.02 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.156 -0.965 . . . . 0.0 110.325 -179.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 50' ' ' LEU . 48.7 mt -72.07 -32.27 66.9 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 120.719 -1.238 . . . . 0.0 109.232 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -66.54 -29.42 69.5 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.838 -1.164 . . . . 0.0 109.23 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 71.2 t -82.37 -20.47 10.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.054 -1.029 . . . . 0.0 109.662 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -92.01 -8.13 46.93 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.124 -0.985 . . . . 0.0 109.232 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -122.01 -16.53 7.51 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -73.64 -168.84 16.59 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.272 -1.531 . . . . 0.0 109.272 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 12.4 mmt -139.03 63.11 1.52 Allowed 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.025 -1.279 . . . . 0.0 109.181 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.4 t -153.9 -162.48 1.44 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.29 -0.881 . . . . 0.0 109.405 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.408 ' C ' ' H ' ' A' ' 60' ' ' ARG . 5.3 tp-100 -172.21 -27.0 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.563 -0.71 . . . . 0.0 109.344 178.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.637 HH21 ' NH2' ' A' ' 61' ' ' ARG . 49.9 mtp180 -56.49 -8.93 0.61 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.257 -0.902 . . . . 0.0 109.459 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.408 ' H ' ' C ' ' A' ' 58' ' ' GLN . 27.2 ttp180 68.77 -36.36 0.33 Allowed 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.542 -0.724 . . . . 0.0 109.845 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.637 ' NH2' HH21 ' A' ' 59' ' ' ARG . 86.2 mtm180 -72.61 -2.13 18.81 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.12 -0.987 . . . . 0.0 109.475 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.307 0 CA-C-O 117.971 -1.46 . . . . 0.0 109.518 179.954 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.628 ' H2 ' ' NH1' ' A' ' 3' ' ' ARG . 18.2 ptt? . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.482 ' C ' ' H ' ' A' ' 4' ' ' GLN . 2.3 m -143.83 85.85 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.256 -0.903 . . . . 0.0 109.235 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.628 ' NH1' ' H2 ' ' A' ' 1' ' ' MET . 10.3 mpt_? -70.89 12.12 0.31 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.881 -1.137 . . . . 0.0 109.369 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.482 ' H ' ' C ' ' A' ' 2' ' ' VAL . 83.3 mt-30 -43.54 -37.47 2.49 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.415 -0.803 . . . . 0.0 110.934 -179.632 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -76.87 -74.66 0.23 Allowed 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.773 -1.205 . . . . 0.0 109.772 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -46.98 -32.56 3.98 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.095 -1.003 . . . . 0.0 109.845 -179.182 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 14.0 tp -57.43 -54.55 45.56 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.101 -0.999 . . . . 0.0 108.866 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.19 -30.56 38.17 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.309 -0.869 . . . . 0.0 110.16 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.47 -35.65 70.91 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.157 -0.964 . . . . 0.0 110.107 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.84 -40.52 83.69 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.115 -0.991 . . . . 0.0 109.888 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.54 -35.08 76.74 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.098 -1.001 . . . . 0.0 109.069 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.12 -39.18 93.49 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.491 -0.756 . . . . 0.0 109.523 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.92 -39.45 78.02 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.159 -0.963 . . . . 0.0 109.191 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.7 tp -64.41 -33.53 76.07 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.129 -0.982 . . . . 0.0 108.738 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.429 ' O ' ' OG1' ' A' ' 19' ' ' THR . 83.0 t60 -75.86 -41.7 51.59 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.3 -0.875 . . . . 0.0 110.703 -179.448 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -75.92 -37.5 58.68 Favored 'General case' 0 C--N 1.296 -1.749 0 O-C-N 120.915 -1.115 . . . . 0.0 111.339 -178.305 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 51.4 mt -69.21 -29.7 67.72 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.765 -1.209 . . . . 0.0 110.732 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.451 ' O ' ' CG ' ' A' ' 18' ' ' MET . 21.3 ttm -103.0 0.12 31.67 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 120.98 -1.075 . . . . 0.0 110.83 -178.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.429 ' OG1' ' O ' ' A' ' 15' ' ' HIS . 18.4 m -97.61 -23.2 16.09 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.967 -1.083 . . . . 0.0 109.716 179.673 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 170.35 -72.8 0.12 Allowed Glycine 0 N--CA 1.492 2.403 0 C-N-CA 119.482 -1.342 . . . . 0.0 109.983 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -46.0 132.19 9.48 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.177 -1.19 . . . . 0.0 109.581 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.7 ptt180 -93.22 -14.63 26.84 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.297 -0.877 . . . . 0.0 110.125 -179.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 p -115.93 148.76 18.44 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.212 0 CA-C-O 121.79 0.805 . . . . 0.0 110.997 -178.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.22 152.83 33.83 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.6 m -139.83 144.93 37.55 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.144 -0.973 . . . . 0.0 109.981 -179.232 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.2 m -144.79 173.9 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 O-C-N 121.227 -0.921 . . . . 0.0 108.982 179.056 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -105.83 121.7 44.59 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.401 -0.812 . . . . 0.0 109.102 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.409 ' HZ3' ' HE2' ' A' ' 35' ' ' PHE . 28.1 mtmt -133.04 114.92 14.51 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.542 -0.724 . . . . 0.0 109.128 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' A' ' 31' ' ' ARG . 0.5 OUTLIER 53.55 58.12 5.47 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.282 -0.886 . . . . 0.0 109.928 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 49.67 7.07 0.09 OUTLIER Glycine 0 N--CA 1.492 2.395 0 N-CA-C 110.336 -1.105 . . . . 0.0 110.336 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.523 ' N ' ' O ' ' A' ' 29' ' ' ASP . 12.3 tpp180 -113.07 135.6 53.62 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.053 -1.263 . . . . 0.0 109.693 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -99.13 134.28 42.21 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.548 -0.72 . . . . 0.0 109.261 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 57.3 t -137.82 142.99 34.7 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.006 0 O-C-N 121.354 -0.841 . . . . 0.0 109.374 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -97.79 155.26 17.12 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.584 -0.697 . . . . 0.0 109.969 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.409 ' HE2' ' HZ3' ' A' ' 28' ' ' LYS . 29.0 m-85 -136.81 135.92 38.38 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 38' ' ' THR . 8.1 p -118.49 152.69 35.47 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.591 -0.693 . . . . 0.0 109.172 179.69 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.85 -18.63 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.359 -0.838 . . . . 0.0 110.723 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 36' ' ' THR . 6.4 m -69.96 -23.31 63.15 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.721 -1.237 . . . . 0.0 110.597 -179.167 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.502 ' O ' ' N ' ' A' ' 41' ' ' SER . 98.7 p -113.05 16.21 19.36 Favored 'General case' 0 N--CA 1.505 2.292 0 O-C-N 121.147 -0.97 . . . . 0.0 109.96 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.5 p -48.61 -12.11 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.082 -1.011 . . . . 0.0 109.694 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.502 ' N ' ' O ' ' A' ' 39' ' ' SER . 91.5 p -84.14 -52.76 6.01 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.931 -1.106 . . . . 0.0 110.635 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.561 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 52.3 p-10 -59.16 -24.26 62.89 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.864 -1.147 . . . . 0.0 109.496 -179.241 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.561 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 7.9 tp -74.4 -41.29 61.19 Favored 'General case' 0 N--CA 1.486 1.327 0 O-C-N 120.86 -1.15 . . . . 0.0 108.137 178.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.3 mttm -51.53 -35.8 42.19 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.13 -0.981 . . . . 0.0 108.822 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -71.35 -45.61 62.5 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.154 -0.966 . . . . 0.0 109.683 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -53.47 -28.95 33.31 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.193 -0.942 . . . . 0.0 109.376 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 84.8 mt -78.05 -32.76 17.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.223 -0.923 . . . . 0.0 109.132 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.89 -38.37 64.4 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.293 -0.879 . . . . 0.0 110.008 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -67.27 -33.95 76.4 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.204 -0.935 . . . . 0.0 110.531 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 50' ' ' LEU . 49.8 mt -72.16 -32.06 66.51 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 120.678 -1.264 . . . . 0.0 109.365 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -66.83 -29.07 68.89 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.847 -1.158 . . . . 0.0 109.268 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 70.3 t -82.09 -20.65 10.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.025 -1.047 . . . . 0.0 109.958 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -91.12 -9.23 46.35 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.955 -1.09 . . . . 0.0 108.973 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -124.51 -20.16 5.22 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -53.16 175.52 0.23 Allowed Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.701 -1.36 . . . . 0.0 109.701 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 47.2 mtt -155.39 67.5 0.65 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.096 -1.237 . . . . 0.0 109.082 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.9 t -62.5 -164.51 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.027 -1.045 . . . . 0.0 109.125 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -174.36 104.56 0.1 Allowed 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.64 -0.662 . . . . 0.0 109.291 178.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.566 HH11 ' CG ' ' A' ' 59' ' ' ARG . 0.3 OUTLIER -78.04 -22.86 48.54 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.159 -0.963 . . . . 0.0 109.468 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -162.77 172.38 15.32 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.214 -0.929 . . . . 0.0 109.144 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -59.0 -51.93 67.97 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.084 -1.01 . . . . 0.0 109.342 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.326 0 CA-C-O 117.982 -1.455 . . . . 0.0 109.545 179.986 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.2 mtt . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.6 t -143.65 79.83 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.263 -0.898 . . . . 0.0 109.073 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.482 ' CD ' ' N ' ' A' ' 3' ' ' ARG . 10.1 mpt_? -80.58 13.96 2.29 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.873 -1.142 . . . . 0.0 109.008 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -43.33 -40.73 3.73 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.59 -0.694 . . . . 0.0 110.927 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.404 ' CD ' ' N ' ' A' ' 5' ' ' GLU . 15.1 mp0 -73.67 -75.21 0.16 Allowed 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.798 -1.189 . . . . 0.0 110.283 -179.316 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.639 ' H ' ' CD ' ' A' ' 6' ' ' GLU . 2.0 pm0 -47.49 -35.48 8.83 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.154 -0.967 . . . . 0.0 109.703 -179.259 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 14.9 tp -53.04 -54.17 39.33 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.12 -0.987 . . . . 0.0 108.744 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.403 ' HA ' ' HE ' ' A' ' 11' ' ' ARG . . . -52.87 -34.52 54.87 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.577 -0.702 . . . . 0.0 110.249 -179.368 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.62 -34.6 77.3 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.157 -0.964 . . . . 0.0 110.241 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.99 -40.92 75.01 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.08 -1.013 . . . . 0.0 109.989 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.403 ' HE ' ' HA ' ' A' ' 8' ' ' ALA . 83.0 mtm180 -60.62 -31.44 70.62 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.048 -1.033 . . . . 0.0 108.947 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.92 -37.62 81.91 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.359 -0.838 . . . . 0.0 109.384 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.48 -32.5 71.49 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.155 -0.966 . . . . 0.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 25.8 tp -72.12 -34.34 68.5 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.226 -0.921 . . . . 0.0 109.179 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 68.1 m80 -76.98 -37.81 54.44 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.201 -0.937 . . . . 0.0 110.587 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.78 -33.2 60.17 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 120.97 -1.081 . . . . 0.0 110.724 -178.225 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 76.5 mt -78.15 -29.13 48.52 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 120.62 -1.3 . . . . 0.0 111.494 -178.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.425 ' O ' ' CG ' ' A' ' 18' ' ' MET . 24.4 ttm -102.85 -2.27 28.2 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 120.846 -1.159 . . . . 0.0 110.913 -178.737 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.0 m -91.9 -23.03 19.75 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.804 -1.185 . . . . 0.0 109.447 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 160.18 -51.56 0.36 Allowed Glycine 0 N--CA 1.49 2.274 0 C-N-CA 119.732 -1.223 . . . . 0.0 110.127 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.422 ' HG2' ' H ' ' A' ' 21' ' ' LYS . 27.4 mmtm -49.43 135.26 18.04 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.056 -1.261 . . . . 0.0 109.229 -179.481 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -93.35 -12.64 29.5 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.306 -0.872 . . . . 0.0 110.971 -178.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.8 p -132.96 149.86 32.26 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.319 0 O-C-N 121.117 -0.99 . . . . 0.0 111.154 -178.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -145.23 153.13 41.0 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 179.389 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.7 p -139.16 144.11 38.45 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.178 -0.951 . . . . 0.0 110.027 -179.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.8 m -147.57 167.45 5.07 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.956 0 O-C-N 121.14 -0.975 . . . . 0.0 109.035 178.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -102.94 118.37 36.68 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.437 -0.789 . . . . 0.0 108.906 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.417 ' HB2' ' HZ3' ' A' ' 28' ' ' LYS . 14.9 mtmm -132.34 122.07 24.49 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.528 -0.732 . . . . 0.0 109.064 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.524 ' O ' ' N ' ' A' ' 31' ' ' ARG . 2.2 m-20 52.98 55.27 9.17 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.362 -0.836 . . . . 0.0 110.038 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 48.16 9.59 0.08 OUTLIER Glycine 0 N--CA 1.493 2.442 0 N-CA-C 110.315 -1.114 . . . . 0.0 110.315 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.524 ' N ' ' O ' ' A' ' 29' ' ' ASP . 97.6 mtt180 -113.89 132.15 56.02 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.143 -1.21 . . . . 0.0 109.99 -179.727 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -91.28 131.61 36.68 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 61.3 t -138.42 150.48 24.26 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.067 0 O-C-N 121.102 -0.999 . . . . 0.0 109.358 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -106.36 157.07 17.89 Favored 'General case' 0 N--CA 1.5 2.048 0 CA-C-O 121.478 0.656 . . . . 0.0 109.8 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -138.78 135.81 35.04 Favored 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 38' ' ' THR . 8.6 p -118.56 153.15 34.7 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.589 -0.694 . . . . 0.0 109.239 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.78 -18.38 0.04 OUTLIER 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.318 -0.864 . . . . 0.0 110.644 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 36' ' ' THR . 6.1 m -69.51 -23.63 63.63 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.778 -1.201 . . . . 0.0 110.601 -179.115 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 41' ' ' SER . 97.3 p -113.45 16.41 18.86 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 121.146 -0.971 . . . . 0.0 110.035 -179.684 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.7 p -49.57 -11.94 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 121.07 -1.019 . . . . 0.0 109.553 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 39' ' ' SER . 50.1 m -84.59 -52.67 5.94 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.949 -1.094 . . . . 0.0 110.586 -179.713 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.558 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 43.3 p-10 -59.66 -24.75 64.15 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.812 -1.18 . . . . 0.0 109.483 -179.316 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.558 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 7.3 tp -74.34 -41.25 61.39 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 120.933 -1.104 . . . . 0.0 108.182 178.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.1 mttm -51.32 -35.72 39.4 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.124 -0.985 . . . . 0.0 108.775 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -69.22 -42.77 75.26 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.195 -0.94 . . . . 0.0 109.587 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.554 ' CZ ' HD11 ' A' ' 50' ' ' LEU . 32.7 t80 -57.71 -29.29 64.59 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.309 -0.869 . . . . 0.0 109.531 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 86.0 mt -79.37 -33.72 15.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.231 -0.918 . . . . 0.0 109.308 179.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.06 -38.96 63.79 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.225 -0.922 . . . . 0.0 109.997 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 67.6 tt0 -66.98 -34.2 77.23 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.206 -0.934 . . . . 0.0 110.583 -179.074 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.554 HD11 ' CZ ' ' A' ' 46' ' ' TYR . 58.5 mt -72.33 -32.16 66.29 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.682 -1.262 . . . . 0.0 109.412 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -65.77 -29.18 69.65 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.749 -1.22 . . . . 0.0 109.157 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 69.8 t -82.07 -21.05 10.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.016 -1.053 . . . . 0.0 109.808 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -91.4 -8.51 47.69 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.065 -1.022 . . . . 0.0 108.846 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.424 ' O ' ' O ' ' A' ' 55' ' ' GLY . 0.7 OUTLIER -123.58 -22.86 4.89 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 -179.757 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 54' ' ' THR . . . -55.79 -168.46 0.07 OUTLIER Glycine 0 N--CA 1.489 2.217 0 N-CA-C 109.415 -1.474 . . . . 0.0 109.415 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.605 ' N ' ' SD ' ' A' ' 56' ' ' MET . 0.0 OUTLIER -159.87 46.13 0.25 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.802 -1.411 . . . . 0.0 109.559 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 15.0 t -88.3 -160.22 0.62 Allowed 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.257 -0.902 . . . . 0.0 109.173 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -172.37 -132.35 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.53 -0.731 . . . . 0.0 109.189 178.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -171.26 144.85 2.09 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.301 -0.874 . . . . 0.0 109.408 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 33.7 ttp180 -166.13 -127.72 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.247 -0.908 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -168.32 37.59 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.124 -0.985 . . . . 0.0 109.353 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.205 0 CA-C-O 118.02 -1.433 . . . . 0.0 109.544 -179.95 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.476 ' O ' ' CZ ' ' A' ' 3' ' ' ARG . 48.0 mtt . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.593 ' O ' HG23 ' A' ' 2' ' ' VAL . 31.0 m -82.87 106.1 13.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.229 -0.919 . . . . 0.0 109.407 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.476 ' CZ ' ' O ' ' A' ' 1' ' ' MET . 1.1 mpp_? -82.48 29.25 0.44 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.7 -1.25 . . . . 0.0 108.902 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -44.81 -41.7 7.22 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.324 -0.86 . . . . 0.0 110.249 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -72.63 -60.04 2.43 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.135 -0.978 . . . . 0.0 110.18 -179.363 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -56.28 -38.85 71.77 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.994 -1.066 . . . . 0.0 109.335 -179.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 14.2 tp -50.93 -54.61 22.7 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.454 -0.779 . . . . 0.0 109.07 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.54 -32.18 57.79 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.403 -0.81 . . . . 0.0 110.109 -179.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.16 -37.09 72.23 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.136 -0.978 . . . . 0.0 110.11 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.3 -42.04 93.46 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.159 -0.963 . . . . 0.0 109.702 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 -58.49 -39.03 78.88 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.168 -0.957 . . . . 0.0 109.156 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.39 -42.34 95.68 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.389 -0.819 . . . . 0.0 109.671 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.89 -37.9 66.89 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.195 -0.94 . . . . 0.0 109.25 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 25.4 tp -64.86 -33.6 76.39 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.139 -0.976 . . . . 0.0 108.757 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -75.91 -41.36 52.15 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.266 -0.896 . . . . 0.0 110.723 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -76.46 -36.46 57.89 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 120.916 -1.115 . . . . 0.0 111.506 -178.173 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 17' ' ' LEU . 68.4 mt -71.24 -28.82 64.45 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.751 -1.218 . . . . 0.0 110.858 -178.787 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.442 ' CG ' ' O ' ' A' ' 18' ' ' MET . 20.8 ttm -101.99 0.58 35.41 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 120.913 -1.117 . . . . 0.0 110.354 -179.24 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 16.6 m -97.95 -23.31 15.87 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.081 -1.012 . . . . 0.0 109.622 179.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 167.45 -71.9 0.16 Allowed Glycine 0 N--CA 1.492 2.381 0 C-N-CA 119.494 -1.336 . . . . 0.0 110.271 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -45.11 131.77 7.44 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.188 -1.183 . . . . 0.0 109.839 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -93.4 -15.08 26.04 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.375 -0.828 . . . . 0.0 110.243 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.2 p -115.18 145.62 20.68 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.253 0 O-C-N 121.403 -0.811 . . . . 0.0 110.902 -178.466 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.39 135.5 16.67 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 179.395 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.6 p -109.79 154.55 22.8 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.385 -0.822 . . . . 0.0 109.865 -179.37 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.5 t -141.44 134.64 30.28 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 O-C-N 121.185 -0.947 . . . . 0.0 108.769 178.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -86.76 104.56 16.25 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.231 -0.918 . . . . 0.0 109.079 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.6 mtmt -132.79 125.23 29.64 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.458 -0.776 . . . . 0.0 108.959 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.507 ' O ' ' N ' ' A' ' 31' ' ' ARG . 35.7 t0 52.06 57.44 6.48 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.4 -0.812 . . . . 0.0 109.893 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 44.27 17.68 0.08 OUTLIER Glycine 0 N--CA 1.494 2.542 0 N-CA-C 110.314 -1.114 . . . . 0.0 110.314 179.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.507 ' N ' ' O ' ' A' ' 29' ' ' ASP . 89.6 mtt180 -121.71 130.41 53.42 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.161 -1.2 . . . . 0.0 109.963 -179.666 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 46.4 mtp180 -95.39 133.93 38.78 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 178.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 42.0 t -130.06 145.89 34.94 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.229 0 O-C-N 121.155 -0.966 . . . . 0.0 109.517 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.478 ' N ' ' CD ' ' A' ' 34' ' ' GLU . 6.0 mp0 -103.4 154.58 19.26 Favored 'General case' 0 N--CA 1.498 1.954 0 CA-C-O 121.773 0.797 . . . . 0.0 110.701 -179.124 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -140.75 136.56 32.65 Favored 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.409 ' O ' ' N ' ' A' ' 38' ' ' THR . 10.5 p -117.51 153.39 33.25 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.463 -0.773 . . . . 0.0 109.591 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.34 -19.15 0.07 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.483 -0.761 . . . . 0.0 110.798 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 36' ' ' THR . 8.2 m -73.97 -22.06 59.77 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.742 -1.224 . . . . 0.0 110.479 -179.209 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.414 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 91.1 p -111.1 18.6 19.24 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.244 -0.91 . . . . 0.0 109.525 -179.606 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.0 p -56.91 -12.59 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.44 -0.788 . . . . 0.0 110.589 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.0 t -83.62 -53.31 5.75 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.614 -1.304 . . . . 0.0 110.634 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 42' ' ' ASP . 0.9 OUTLIER -57.73 -27.53 63.07 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.91 -1.118 . . . . 0.0 109.349 -179.597 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.2 tp -71.54 -41.46 69.12 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 120.996 -1.065 . . . . 0.0 108.25 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.1 mttm -51.65 -34.66 38.92 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.07 -1.019 . . . . 0.0 108.848 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt -73.23 -45.41 56.26 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.135 -0.978 . . . . 0.0 109.656 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -52.31 -28.81 20.56 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.325 -0.859 . . . . 0.0 109.217 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 87.7 mt -78.63 -33.77 17.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.319 -0.863 . . . . 0.0 109.099 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.77 -37.6 64.96 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.207 -0.933 . . . . 0.0 109.936 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -67.02 -33.81 76.35 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.18 -0.95 . . . . 0.0 110.52 -179.203 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 50' ' ' LEU . 55.6 mt -72.77 -32.66 65.77 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 120.712 -1.243 . . . . 0.0 109.39 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -65.0 -29.42 70.34 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.775 -1.203 . . . . 0.0 109.005 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 77.1 t -82.52 -20.81 9.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.113 -0.992 . . . . 0.0 109.749 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -92.5 -8.25 45.06 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.084 -1.01 . . . . 0.0 109.469 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -120.18 -16.22 8.56 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 -179.402 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -60.64 173.02 5.94 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.294 -1.522 . . . . 0.0 109.294 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.571 ' N ' ' SD ' ' A' ' 56' ' ' MET . 1.1 mpt? -82.19 60.11 4.79 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.832 -1.393 . . . . 0.0 109.394 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.494 ' O ' ' N ' ' A' ' 59' ' ' ARG . 12.0 t -85.39 -37.93 19.28 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.297 -0.877 . . . . 0.0 109.403 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.465 ' N ' HG23 ' A' ' 57' ' ' THR . 44.7 tt0 -45.72 94.2 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.309 -0.869 . . . . 0.0 109.856 -179.351 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 57' ' ' THR . 68.0 ttt180 -171.04 140.05 1.48 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.31 -0.869 . . . . 0.0 109.472 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -168.41 -28.4 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.224 -0.922 . . . . 0.0 109.469 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 48.6 mtp180 52.95 -152.04 0.29 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.266 -0.896 . . . . 0.0 109.415 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.294 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 -179.949 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.5 mmt . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 121.309 0.576 . . . . 0.0 109.447 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.493 ' C ' ' H ' ' A' ' 4' ' ' GLN . 1.8 m -143.63 93.42 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 121.219 -0.926 . . . . 0.0 109.167 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.499 ' NH2' ' O ' ' A' ' 53' ' ' GLN . 0.2 OUTLIER -72.41 15.42 0.18 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.884 -1.135 . . . . 0.0 109.289 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.493 ' H ' ' C ' ' A' ' 2' ' ' VAL . 66.0 mm-40 -44.12 -37.18 2.94 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.357 -0.839 . . . . 0.0 110.934 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -76.35 -75.42 0.19 Allowed 'General case' 0 N--CA 1.503 2.198 0 O-C-N 120.752 -1.218 . . . . 0.0 110.103 -179.068 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -46.87 -30.09 2.33 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.996 -1.065 . . . . 0.0 109.733 -178.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.0 tp -58.07 -54.64 44.63 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.24 -0.912 . . . . 0.0 108.658 179.326 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.91 -35.81 58.65 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.5 -0.75 . . . . 0.0 110.323 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.92 -43.4 83.39 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.131 -0.981 . . . . 0.0 110.11 -179.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.88 -43.52 90.93 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.088 -1.008 . . . . 0.0 109.771 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 63.0 mtm180 -57.37 -36.12 70.83 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.106 -0.996 . . . . 0.0 109.25 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.42 -41.3 98.59 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.404 -0.81 . . . . 0.0 109.82 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.17 -36.5 70.85 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.163 -0.96 . . . . 0.0 109.475 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 22.0 tp -65.12 -34.71 79.05 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.032 -1.042 . . . . 0.0 109.046 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.441 ' O ' ' OG1' ' A' ' 19' ' ' THR . 49.5 t60 -76.48 -40.35 50.53 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.068 -1.02 . . . . 0.0 110.625 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -76.24 -29.19 57.42 Favored 'General case' 0 C--N 1.295 -1.796 0 O-C-N 121.017 -1.052 . . . . 0.0 111.453 -178.223 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 44.3 mt -78.69 -29.46 45.56 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 120.617 -1.302 . . . . 0.0 110.9 -179.233 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.494 ' SD ' ' O ' ' A' ' 18' ' ' MET . 24.8 tpp -101.85 -4.94 25.44 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 120.976 -1.077 . . . . 0.0 110.156 -178.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.441 ' OG1' ' O ' ' A' ' 15' ' ' HIS . 22.6 m -90.57 -22.99 21.0 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.724 -1.235 . . . . 0.0 109.558 179.45 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 165.24 -63.35 0.23 Allowed Glycine 0 N--CA 1.491 2.326 0 C-N-CA 119.392 -1.385 . . . . 0.0 110.508 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.408 ' CD ' ' N ' ' A' ' 21' ' ' LYS . 2.8 mmtp -48.7 131.54 17.9 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.052 -1.264 . . . . 0.0 109.255 -179.077 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 -93.75 -14.71 25.95 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.117 -0.989 . . . . 0.0 109.894 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 73.0 t -117.19 148.07 20.16 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.138 0 O-C-N 121.454 -0.778 . . . . 0.0 110.179 -179.25 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.19 152.53 33.44 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 179.368 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.0 p -128.89 157.77 40.63 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.286 -0.884 . . . . 0.0 110.019 -179.243 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.9 t -141.3 135.21 31.55 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.002 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 178.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -83.89 104.59 14.09 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.134 -0.979 . . . . 0.0 109.533 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.511 ' NZ ' ' CB ' ' A' ' 28' ' ' LYS . 4.0 mtpm? -132.61 124.16 27.8 Favored 'General case' 0 N--CA 1.503 2.203 0 O-C-N 121.563 -0.71 . . . . 0.0 109.136 179.544 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.525 ' O ' ' N ' ' A' ' 31' ' ' ARG . 3.9 m-20 52.45 56.86 7.08 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.397 -0.814 . . . . 0.0 110.05 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 45.28 15.4 0.07 OUTLIER Glycine 0 N--CA 1.492 2.383 0 N-CA-C 110.215 -1.154 . . . . 0.0 110.215 179.485 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.525 ' N ' ' O ' ' A' ' 29' ' ' ASP . 17.4 tpt180 -124.05 130.55 52.75 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.202 -1.175 . . . . 0.0 109.56 -179.743 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -96.45 134.9 39.05 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.329 -0.857 . . . . 0.0 109.008 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 70.1 t -121.13 145.82 27.07 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.232 0 O-C-N 121.42 -0.8 . . . . 0.0 108.972 179.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.496 ' CD ' ' H ' ' A' ' 34' ' ' GLU . 2.9 mp0 -101.08 151.38 21.88 Favored 'General case' 0 N--CA 1.497 1.921 0 CA-C-O 121.9 0.857 . . . . 0.0 110.956 -178.769 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -140.23 135.27 32.18 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 178.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 38' ' ' THR . 6.4 p -118.74 153.79 33.84 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.418 -0.801 . . . . 0.0 109.308 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.13 -18.58 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.401 -0.812 . . . . 0.0 110.652 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.463 ' N ' ' O ' ' A' ' 36' ' ' THR . 6.2 m -69.25 -23.75 63.9 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.816 -1.178 . . . . 0.0 110.53 -179.233 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.445 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 90.4 p -112.71 16.65 19.56 Favored 'General case' 0 N--CA 1.503 2.216 0 O-C-N 121.115 -0.99 . . . . 0.0 110.07 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.7 p -50.5 -12.43 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.017 -1.052 . . . . 0.0 109.672 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 39' ' ' SER . 42.8 t -85.27 -52.98 5.53 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.898 -1.126 . . . . 0.0 110.541 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.543 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 30.4 p-10 -59.86 -24.22 64.05 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.795 -1.191 . . . . 0.0 109.408 -179.311 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.543 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 8.5 tp -73.82 -42.61 60.67 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 178.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 35.7 mttm -51.89 -30.7 25.13 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.116 -0.99 . . . . 0.0 108.611 179.267 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.7 mmtm -72.8 -45.19 59.81 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.295 -0.878 . . . . 0.0 109.562 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -57.13 -29.55 63.67 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.376 -0.828 . . . . 0.0 109.419 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 88.4 mt -79.07 -33.44 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.251 -0.906 . . . . 0.0 109.298 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.56 -41.63 62.7 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.215 -0.928 . . . . 0.0 109.984 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -64.08 -35.71 81.62 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.151 -0.968 . . . . 0.0 110.425 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 50' ' ' LEU . 51.9 mt -70.04 -31.5 69.16 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 120.563 -1.335 . . . . 0.0 109.06 179.663 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -64.91 -29.43 70.37 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.945 -1.097 . . . . 0.0 109.431 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 78.8 t -82.58 -21.08 9.55 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 120.894 -1.129 . . . . 0.0 110.137 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.499 ' O ' ' NH2' ' A' ' 3' ' ' ARG . 44.5 mm-40 -91.42 -8.48 47.74 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.838 -1.164 . . . . 0.0 109.206 -179.644 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.402 ' CA ' HH21 ' A' ' 3' ' ' ARG . 0.6 OUTLIER -124.1 -36.99 2.62 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -179.685 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -70.46 173.3 40.53 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 21.0 mmt -107.44 31.5 5.37 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.135 -1.215 . . . . 0.0 109.29 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.7 t -84.01 -27.49 28.35 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.246 -0.909 . . . . 0.0 109.45 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 -46.22 -77.88 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.507 -0.746 . . . . 0.0 109.589 -179.242 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 76.4 mtm180 49.35 -162.43 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.225 -0.922 . . . . 0.0 109.358 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -140.23 62.37 1.5 Allowed 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.251 -0.906 . . . . 0.0 109.353 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 32.9 ptt180 -67.75 -159.42 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.294 -0.879 . . . . 0.0 109.453 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.27 0 CA-C-O 118.011 -1.439 . . . . 0.0 109.549 179.931 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.563 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.8 mpt? . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.448 ' C ' ' H ' ' A' ' 4' ' ' GLN . 2.6 m -67.07 84.5 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.252 -0.905 . . . . 0.0 109.358 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.4 ' HG2' HH11 ' A' ' 3' ' ' ARG . 0.4 OUTLIER -75.46 14.21 0.64 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.878 -1.139 . . . . 0.0 108.859 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.448 ' H ' ' C ' ' A' ' 2' ' ' VAL . 14.3 mm100 -43.48 -34.46 1.35 Allowed 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.552 -0.717 . . . . 0.0 110.734 -179.703 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.416 ' CD ' ' N ' ' A' ' 5' ' ' GLU . 13.2 mp0 -75.23 -77.08 0.13 Allowed 'General case' 0 N--CA 1.499 2.006 0 O-C-N 120.926 -1.109 . . . . 0.0 110.374 -179.198 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.401 ' OE2' ' N ' ' A' ' 7' ' ' LEU . 1.7 pp20? -47.56 -37.01 11.42 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.115 -0.99 . . . . 0.0 109.868 -179.137 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.401 ' N ' ' OE2' ' A' ' 6' ' ' GLU . 13.2 tp -51.87 -53.98 34.42 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.031 -1.043 . . . . 0.0 108.59 179.206 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.402 ' HA ' ' HE ' ' A' ' 11' ' ' ARG . . . -51.07 -36.8 41.88 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.438 -0.789 . . . . 0.0 109.927 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.76 -38.57 83.61 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.085 -1.009 . . . . 0.0 109.995 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.79 -36.76 84.97 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.117 -0.989 . . . . 0.0 109.882 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.402 ' HE ' ' HA ' ' A' ' 8' ' ' ALA . 81.6 mtm180 -64.67 -34.33 78.05 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.105 -0.997 . . . . 0.0 109.265 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.68 -30.28 70.49 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.262 -0.899 . . . . 0.0 109.624 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.34 -37.62 80.7 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.257 -0.902 . . . . 0.0 109.397 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.2 tp -64.93 -35.97 82.86 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.204 -0.935 . . . . 0.0 108.97 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.436 ' O ' ' OG1' ' A' ' 19' ' ' THR . 52.8 t-80 -75.63 -41.29 54.59 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.135 -0.978 . . . . 0.0 110.591 -179.7 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -74.46 -37.95 63.09 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 120.802 -1.187 . . . . 0.0 111.177 -178.327 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 48.1 mt -67.62 -30.17 69.68 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.725 -1.235 . . . . 0.0 110.5 -179.131 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 4.3 tpt -103.4 -0.28 30.28 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 120.996 -1.065 . . . . 0.0 110.673 -179.002 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.436 ' OG1' ' O ' ' A' ' 15' ' ' HIS . 22.0 m -98.26 -23.66 15.56 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.698 -1.251 . . . . 0.0 109.885 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 170.19 -78.21 0.1 OUTLIER Glycine 0 N--CA 1.492 2.403 0 C-N-CA 119.544 -1.312 . . . . 0.0 109.935 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 61.9 mttt -46.89 104.55 0.05 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.239 -1.153 . . . . 0.0 109.284 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -71.15 -14.85 62.42 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.419 -0.8 . . . . 0.0 110.169 -179.33 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.2 t -106.34 148.2 10.99 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 O-C-N 121.286 -0.884 . . . . 0.0 110.694 -179.071 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.53 152.92 33.61 Favored 'General case' 0 N--CA 1.495 1.816 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 179.142 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.1 p -137.19 143.98 42.64 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.107 -0.996 . . . . 0.0 110.016 -179.113 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.4 m -144.58 176.28 2.49 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 178.241 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -106.46 124.52 49.73 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.232 -0.918 . . . . 0.0 109.482 -179.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 52.8 mttm -134.0 110.48 9.7 Favored 'General case' 0 N--CA 1.501 2.078 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 179.314 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' A' ' 31' ' ' ARG . 19.4 t70 53.5 58.81 4.83 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.26 -0.9 . . . . 0.0 109.864 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 50.53 5.77 0.09 OUTLIER Glycine 0 N--CA 1.493 2.49 0 N-CA-C 110.387 -1.085 . . . . 0.0 110.387 179.584 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.515 ' N ' ' O ' ' A' ' 29' ' ' ASP . 12.1 tpp180 -110.95 130.14 55.67 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.09 -1.241 . . . . 0.0 109.788 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 66.3 mtt180 -92.88 134.17 35.36 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.346 -0.846 . . . . 0.0 108.759 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 59.5 t -135.81 142.39 39.28 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.026 0 O-C-N 121.311 -0.868 . . . . 0.0 108.913 179.468 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.566 ' H ' ' CD ' ' A' ' 34' ' ' GLU . 1.9 mp0 -97.62 157.93 15.77 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.472 -0.768 . . . . 0.0 110.221 -179.214 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -140.48 135.36 31.87 Favored 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 38' ' ' THR . 7.0 p -119.34 154.68 33.19 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.499 -0.751 . . . . 0.0 109.228 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.05 -18.25 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.364 -0.835 . . . . 0.0 110.687 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.47 ' N ' ' O ' ' A' ' 36' ' ' THR . 5.9 m -67.02 -23.67 65.93 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 120.704 -1.248 . . . . 0.0 110.297 -179.36 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.526 ' O ' ' N ' ' A' ' 41' ' ' SER . 93.2 p -114.38 17.12 17.66 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 121.23 -0.919 . . . . 0.0 110.219 -179.673 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.8 p -48.92 -10.7 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 120.919 -1.113 . . . . 0.0 109.612 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.526 ' N ' ' O ' ' A' ' 39' ' ' SER . 47.7 t -84.67 -52.06 6.37 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.055 -1.028 . . . . 0.0 110.552 -179.51 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.549 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 33.3 p-10 -62.59 -27.73 69.39 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.819 -1.176 . . . . 0.0 109.942 -179.086 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.549 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 7.8 tp -73.56 -40.37 63.99 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.745 -1.222 . . . . 0.0 107.866 178.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.8 ttmm -52.29 -34.36 46.26 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.482 -0.761 . . . . 0.0 109.256 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.0 tttm -73.29 -45.57 54.81 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.329 -0.857 . . . . 0.0 109.571 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.571 ' CZ ' HD11 ' A' ' 50' ' ' LEU . 39.9 t80 -52.31 -28.7 20.13 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.4 -0.812 . . . . 0.0 109.588 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.437 ' O ' ' OE2' ' A' ' 51' ' ' GLU . 84.4 mt -78.01 -39.46 25.47 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.223 -0.923 . . . . 0.0 109.38 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.33 -36.57 71.61 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.195 -0.941 . . . . 0.0 110.195 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -67.6 -33.71 75.55 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.16 -0.963 . . . . 0.0 110.582 -179.079 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.571 HD11 ' CZ ' ' A' ' 46' ' ' TYR . 44.0 mt -71.79 -33.93 68.99 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 120.685 -1.259 . . . . 0.0 109.465 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.519 ' N ' ' OE1' ' A' ' 51' ' ' GLU . 0.2 OUTLIER -64.29 -29.76 70.84 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.715 -1.241 . . . . 0.0 108.686 179.315 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 74.8 t -82.5 -20.43 9.93 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 O-C-N 121.122 -0.986 . . . . 0.0 109.598 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -92.27 -8.41 45.33 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.115 -0.991 . . . . 0.0 109.258 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' A' ' 1' ' ' MET . 0.6 OUTLIER -119.97 -36.48 3.27 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 -179.69 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -88.42 62.76 3.74 Favored Glycine 0 N--CA 1.493 2.446 0 N-CA-C 109.088 -1.605 . . . . 0.0 109.088 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 35.9 ttp -50.42 156.25 0.9 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.331 -1.099 . . . . 0.0 109.502 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.7 t -170.95 -172.98 1.22 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.685 -1.259 . . . . 0.0 109.192 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -173.36 -83.11 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.503 -0.748 . . . . 0.0 109.489 178.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.578 HH11 ' CG ' ' A' ' 59' ' ' ARG . 3.8 mtt-85 -50.24 165.29 0.09 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.308 -0.87 . . . . 0.0 109.638 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -168.6 -47.8 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.379 -0.826 . . . . 0.0 109.38 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 20.2 mmt180 -69.06 -150.99 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.28 -0.887 . . . . 0.0 109.568 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.306 0 N-CA-C 109.483 -1.447 . . . . 0.0 109.483 179.935 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.556 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.6 OUTLIER . . . . . 0 N--CA 1.492 1.627 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 2' ' ' VAL . 33.7 m -67.98 107.54 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.243 -0.91 . . . . 0.0 109.363 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.51 ' NH1' ' H2 ' ' A' ' 1' ' ' MET . 1.6 mpp_? -83.16 30.07 0.47 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.702 -1.249 . . . . 0.0 108.733 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -47.69 -47.71 29.65 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.323 -0.861 . . . . 0.0 110.5 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.471 ' CD ' ' N ' ' A' ' 5' ' ' GLU . 5.2 mp0 -68.29 -54.43 17.6 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.067 -1.021 . . . . 0.0 111.242 -178.79 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -64.56 -39.37 93.62 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.927 -1.108 . . . . 0.0 109.445 -178.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 14.0 tp -50.78 -54.42 23.64 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.417 -0.802 . . . . 0.0 108.906 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.79 -36.29 62.28 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.515 -0.741 . . . . 0.0 109.976 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.07 -31.31 70.86 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.213 -0.929 . . . . 0.0 110.0 -179.585 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.47 -39.79 70.68 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.029 -1.044 . . . . 0.0 109.768 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 78.5 mtm180 -61.21 -35.82 78.23 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.205 -0.934 . . . . 0.0 109.236 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.73 -40.92 97.93 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.452 -0.78 . . . . 0.0 109.576 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.56 -38.59 72.13 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.175 -0.953 . . . . 0.0 109.33 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 19.8 tp -62.98 -35.54 80.52 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.114 -0.991 . . . . 0.0 108.846 179.514 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.409 ' O ' ' OG1' ' A' ' 19' ' ' THR . 25.5 t-80 -75.54 -45.85 35.55 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.047 -1.033 . . . . 0.0 110.649 -179.676 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -70.55 -36.76 73.85 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 120.868 -1.145 . . . . 0.0 111.39 -178.171 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 40.4 mt -68.7 -31.12 69.98 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.698 -1.251 . . . . 0.0 110.452 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 6.3 tpt -103.31 -0.21 30.55 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 120.87 -1.144 . . . . 0.0 110.474 -179.091 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' A' ' 15' ' ' HIS . 23.1 m -97.55 -23.6 15.94 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.768 -1.207 . . . . 0.0 109.815 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 169.96 -78.34 0.1 OUTLIER Glycine 0 N--CA 1.491 2.344 0 C-N-CA 119.566 -1.302 . . . . 0.0 109.945 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -46.86 105.44 0.07 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.252 -1.146 . . . . 0.0 109.48 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -71.34 -15.02 62.37 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.34 -0.85 . . . . 0.0 110.116 -179.369 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.9 t -106.82 146.79 12.81 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.023 0 O-C-N 121.295 -0.878 . . . . 0.0 110.62 -179.148 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -152.04 152.63 32.66 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.169 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 82.5 p -140.82 143.18 34.67 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.063 -1.023 . . . . 0.0 109.964 -179.472 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.9 m -140.03 153.83 22.94 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 O-C-N 121.294 -0.879 . . . . 0.0 108.655 178.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.451 ' OE1' ' N ' ' A' ' 27' ' ' GLN . 1.7 mp0 -84.85 104.66 15.0 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.25 -0.906 . . . . 0.0 109.64 -179.506 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' A' ' 31' ' ' ARG . 8.5 mtmp? -133.13 148.64 52.12 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.41 -0.806 . . . . 0.0 109.229 179.477 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.54 ' C ' ' H ' ' A' ' 31' ' ' ARG . 36.3 t0 48.58 44.66 21.14 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.264 -0.898 . . . . 0.0 110.658 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 52.02 1.24 0.04 OUTLIER Glycine 0 N--CA 1.495 2.581 0 O-C-N 120.881 -1.137 . . . . 0.0 110.934 179.2 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.59 ' CG ' HH11 ' A' ' 31' ' ' ARG . 0.2 OUTLIER -125.56 148.99 48.73 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.007 -1.29 . . . . 0.0 109.31 179.905 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 27.7 ptt180 -92.9 133.53 36.01 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.39 -0.819 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.7 t -127.07 144.58 36.75 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.103 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.566 ' H ' ' CD ' ' A' ' 34' ' ' GLU . 2.4 mp0 -97.83 156.07 16.75 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-O 121.698 0.761 . . . . 0.0 110.609 -179.093 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -140.2 134.66 31.46 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 179.064 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 38' ' ' THR . 7.5 p -119.18 154.88 32.62 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.422 -0.799 . . . . 0.0 109.433 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.06 -18.71 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.373 -0.829 . . . . 0.0 110.694 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 36' ' ' THR . 5.9 m -68.05 -23.56 64.98 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.807 -1.183 . . . . 0.0 110.378 -179.275 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.516 ' O ' ' N ' ' A' ' 41' ' ' SER . 94.1 p -114.27 16.42 17.94 Favored 'General case' 0 N--CA 1.503 2.18 0 O-C-N 121.208 -0.932 . . . . 0.0 110.182 -179.607 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.2 p -48.8 -11.62 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 120.929 -1.107 . . . . 0.0 109.525 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.516 ' N ' ' O ' ' A' ' 39' ' ' SER . 94.5 p -84.65 -52.67 5.92 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.95 -1.094 . . . . 0.0 110.678 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.545 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 38.1 p-10 -60.79 -25.48 66.58 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.824 -1.173 . . . . 0.0 109.698 -179.248 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.545 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 7.3 tp -73.27 -41.06 64.07 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 178.662 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.5 mttm -52.2 -31.66 32.83 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.157 -0.964 . . . . 0.0 108.516 179.105 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.41 ' HB3' ' HZ3' ' A' ' 45' ' ' LYS . 0.8 OUTLIER -73.28 -45.36 56.11 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.272 -0.892 . . . . 0.0 109.539 -179.808 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.539 ' CZ ' HD11 ' A' ' 50' ' ' LEU . 47.5 t80 -55.11 -29.02 56.76 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.34 -0.85 . . . . 0.0 109.633 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 86.9 mt -78.14 -35.02 19.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.229 -0.919 . . . . 0.0 109.305 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.92 -41.33 62.23 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.251 -0.906 . . . . 0.0 109.971 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 48.9 tt0 -63.33 -34.53 77.91 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.205 -0.935 . . . . 0.0 110.425 -179.108 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.539 HD11 ' CZ ' ' A' ' 46' ' ' TYR . 57.0 mt -72.2 -31.92 66.31 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.612 -1.305 . . . . 0.0 109.158 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -63.05 -29.57 70.92 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.82 -1.175 . . . . 0.0 109.046 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 70.1 t -83.06 -20.94 9.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.083 -1.011 . . . . 0.0 109.852 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -91.7 -8.26 47.49 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.0 -1.063 . . . . 0.0 109.185 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -123.24 -16.38 6.94 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 -179.404 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.454 ' C ' ' SD ' ' A' ' 56' ' ' MET . . . -53.55 -91.76 0.01 OUTLIER Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.654 -1.378 . . . . 0.0 109.654 -179.682 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.454 ' SD ' ' C ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -173.75 46.31 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.77 -1.43 . . . . 0.0 109.634 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.8 t -89.41 -165.37 1.33 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.132 -0.98 . . . . 0.0 109.435 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -173.93 -28.36 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.625 -0.672 . . . . 0.0 109.323 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -167.88 131.02 1.61 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.317 -0.864 . . . . 0.0 109.536 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 57.39 176.35 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.254 -0.904 . . . . 0.0 109.094 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 52.7 mtp180 53.31 43.44 31.44 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.225 -0.922 . . . . 0.0 109.467 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.328 0 CA-C-O 118.008 -1.44 . . . . 0.0 109.534 179.903 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.3 ptp . . . . . 0 N--CA 1.49 1.542 0 CA-C-O 121.286 0.565 . . . . 0.0 109.504 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.5 ' C ' ' H ' ' A' ' 4' ' ' GLN . 2.8 m -143.64 85.72 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 121.176 -0.953 . . . . 0.0 109.392 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.418 ' N ' ' CD ' ' A' ' 3' ' ' ARG . 10.7 mpt_? -75.3 22.74 0.12 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.73 -1.231 . . . . 0.0 108.971 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.5 ' H ' ' C ' ' A' ' 2' ' ' VAL . 79.7 mt-30 -44.81 -42.17 7.61 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.421 -0.8 . . . . 0.0 110.609 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -72.61 -59.44 2.72 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 121.111 -0.993 . . . . 0.0 110.299 -179.022 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -56.82 -37.81 71.72 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 120.929 -1.107 . . . . 0.0 109.124 -179.292 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 17.5 tp -51.05 -54.1 27.76 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.353 -0.842 . . . . 0.0 108.925 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.05 -33.23 56.87 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.392 -0.818 . . . . 0.0 109.998 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.62 -32.77 70.23 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.169 -0.957 . . . . 0.0 110.036 -179.485 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.64 -42.57 70.7 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.159 -0.963 . . . . 0.0 109.914 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -59.0 -36.84 75.58 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.126 -0.984 . . . . 0.0 108.963 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.14 -40.52 96.23 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.46 -0.775 . . . . 0.0 109.416 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.09 -36.41 68.09 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.218 -0.926 . . . . 0.0 109.175 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 21.7 tp -65.11 -34.43 78.38 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.113 -0.992 . . . . 0.0 108.766 179.38 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -75.88 -40.2 54.97 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.2 -0.937 . . . . 0.0 110.868 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -76.8 -32.34 57.57 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 120.8 -1.187 . . . . 0.0 111.666 -178.081 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 81.0 mt -76.58 -27.86 55.98 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.608 -1.308 . . . . 0.0 110.939 -178.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.448 ' CG ' ' O ' ' A' ' 18' ' ' MET . 20.0 ttm -102.54 0.76 34.03 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 120.885 -1.134 . . . . 0.0 110.409 -179.241 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.6 m -100.55 -23.38 14.7 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.137 -0.977 . . . . 0.0 109.944 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 169.25 -75.52 0.11 Allowed Glycine 0 N--CA 1.494 2.514 0 C-N-CA 119.42 -1.371 . . . . 0.0 110.376 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 44.7 mttm -44.25 131.67 6.07 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.377 -1.072 . . . . 0.0 109.904 -179.425 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.16 -15.44 25.97 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.443 -0.786 . . . . 0.0 110.149 -179.256 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.1 p -114.11 146.19 18.97 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.293 0 O-C-N 121.404 -0.81 . . . . 0.0 110.868 -178.281 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.61 136.74 17.44 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.7 p -108.95 155.56 20.72 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.319 -0.863 . . . . 0.0 109.945 -179.361 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.6 t -142.39 134.8 26.71 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.996 0 O-C-N 121.26 -0.9 . . . . 0.0 108.915 178.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -86.87 103.4 15.23 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.213 -0.929 . . . . 0.0 109.109 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.2 mtmt -131.35 122.43 26.35 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.459 -0.776 . . . . 0.0 109.104 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' A' ' 31' ' ' ARG . 0.6 OUTLIER 53.0 57.93 5.84 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.302 -0.874 . . . . 0.0 109.806 -179.845 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 45.55 15.23 0.08 OUTLIER Glycine 0 N--CA 1.493 2.465 0 N-CA-C 110.171 -1.172 . . . . 0.0 110.171 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.523 ' N ' ' O ' ' A' ' 29' ' ' ASP . 66.5 mtm180 -120.49 130.81 54.44 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.216 -1.167 . . . . 0.0 109.797 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 51.1 mtm180 -96.65 133.85 40.64 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 178.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 45.7 t -129.27 144.36 38.38 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.209 0 O-C-N 121.163 -0.961 . . . . 0.0 109.433 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.472 ' N ' ' CD ' ' A' ' 34' ' ' GLU . 10.2 mp0 -101.47 155.01 18.33 Favored 'General case' 0 N--CA 1.496 1.865 0 CA-C-O 121.715 0.769 . . . . 0.0 110.555 -179.215 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -140.71 136.47 32.62 Favored 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 38' ' ' THR . 9.4 p -117.87 152.77 34.73 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.421 -0.8 . . . . 0.0 109.297 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.94 -17.95 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.417 -0.802 . . . . 0.0 110.69 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 36' ' ' THR . 3.6 p -70.39 -23.66 62.8 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.729 -1.232 . . . . 0.0 110.236 -179.311 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.471 ' O ' ' N ' ' A' ' 41' ' ' SER . 90.8 p -111.83 16.45 20.42 Favored 'General case' 0 N--CA 1.503 2.189 0 O-C-N 121.061 -1.024 . . . . 0.0 109.993 -179.719 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.8 p -49.99 -11.87 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 121.062 -1.024 . . . . 0.0 109.521 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 39' ' ' SER . 44.8 m -85.46 -52.86 5.56 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.058 -1.026 . . . . 0.0 110.64 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.546 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 35.6 p-10 -59.54 -23.88 63.23 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.723 -1.235 . . . . 0.0 109.361 -179.475 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.546 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 7.8 tp -74.99 -40.55 60.63 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 178.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 49.0 mttt -51.2 -36.82 43.33 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.128 -0.982 . . . . 0.0 108.805 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -73.92 -46.11 46.38 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.12 -0.988 . . . . 0.0 109.806 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -51.31 -26.4 7.43 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.17 -0.957 . . . . 0.0 108.901 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 92.2 mt -79.76 -35.15 16.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.325 -0.86 . . . . 0.0 109.087 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.74 -40.63 63.38 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.213 -0.93 . . . . 0.0 109.791 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -63.35 -35.17 79.52 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.166 -0.959 . . . . 0.0 110.374 -179.242 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 50' ' ' LEU . 51.0 mt -71.11 -32.21 68.74 Favored 'General case' 0 N--CA 1.497 1.919 0 C-N-CA 118.54 -1.264 . . . . 0.0 108.954 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -62.81 -29.76 70.97 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.911 -1.118 . . . . 0.0 109.299 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 70.0 t -82.91 -21.76 9.03 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 120.932 -1.105 . . . . 0.0 109.985 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.6 mm100 -92.24 -8.09 46.32 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.972 -1.08 . . . . 0.0 109.271 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -120.34 -39.08 2.82 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -76.45 -167.54 25.67 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.18 -1.568 . . . . 0.0 109.18 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 18.7 ttt -143.34 52.87 1.35 Allowed 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.898 -1.354 . . . . 0.0 109.157 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.2 t -88.21 -28.11 21.37 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.319 -0.863 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -50.26 -22.17 1.66 Allowed 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.451 -0.78 . . . . 0.0 109.061 -179.231 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 31.1 ptt180 -47.18 162.86 0.05 OUTLIER 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.361 -0.837 . . . . 0.0 109.805 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.719 ' HE ' ' N ' ' A' ' 60' ' ' ARG . 1.3 mmp_? -46.08 -72.68 0.05 Allowed 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.279 -0.888 . . . . 0.0 109.491 -179.759 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 29.4 ptt180 -169.58 12.27 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.179 -0.951 . . . . 0.0 109.462 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.356 0 CA-C-O 118.037 -1.424 . . . . 0.0 109.573 -179.982 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.7 ttm . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 121.282 0.563 . . . . 0.0 109.497 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.505 ' C ' ' H ' ' A' ' 4' ' ' GLN . 2.5 m -143.58 90.99 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 121.266 -0.896 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -75.5 21.84 0.14 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.617 -1.302 . . . . 0.0 108.938 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.505 ' H ' ' C ' ' A' ' 2' ' ' VAL . 27.5 mm100 -46.79 -46.12 20.42 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.451 -0.781 . . . . 0.0 110.642 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.47 ' CD ' ' N ' ' A' ' 5' ' ' GLU . 16.8 mp0 -69.19 -57.25 5.61 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.158 -0.963 . . . . 0.0 111.125 -178.756 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -60.88 -35.1 75.75 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.761 -1.212 . . . . 0.0 109.157 -179.17 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 14.5 tp -51.04 -54.07 28.01 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.83 -44.87 70.61 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.571 -0.706 . . . . 0.0 110.059 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.95 -35.04 77.27 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.156 -0.965 . . . . 0.0 110.021 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.81 -44.24 86.23 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.19 -0.944 . . . . 0.0 109.759 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -57.25 -33.68 67.84 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.193 -0.942 . . . . 0.0 109.187 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.05 -33.6 75.87 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.387 -0.82 . . . . 0.0 109.576 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.99 -31.91 73.26 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.191 -0.943 . . . . 0.0 109.349 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.8 tp -70.15 -37.35 75.21 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.192 -0.942 . . . . 0.0 109.114 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 60.6 m80 -76.58 -38.2 55.29 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.886 -1.134 . . . . 0.0 110.813 -179.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -75.82 -29.96 58.85 Favored 'General case' 0 C--N 1.296 -1.721 0 O-C-N 120.797 -1.189 . . . . 0.0 111.464 -178.043 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.4 mt -79.04 -29.12 43.38 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 120.727 -1.233 . . . . 0.0 111.019 -179.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 5.8 tpt -101.83 -0.13 34.69 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 120.808 -1.182 . . . . 0.0 110.273 -179.02 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 20.1 m -95.25 -22.73 17.61 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.934 -1.104 . . . . 0.0 109.379 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 164.72 -63.98 0.23 Allowed Glycine 0 N--CA 1.493 2.443 0 C-N-CA 119.674 -1.251 . . . . 0.0 110.054 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.473 ' H ' ' CD ' ' A' ' 21' ' ' LYS . 4.0 mptp? -46.24 131.52 10.34 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.324 -1.103 . . . . 0.0 109.519 -179.662 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -94.0 -13.68 26.72 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.268 -0.895 . . . . 0.0 110.211 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.1 p -121.73 149.18 24.92 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.349 0 O-C-N 121.414 -0.804 . . . . 0.0 110.819 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -149.45 152.42 35.63 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 179.318 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.479 HG21 HH21 ' A' ' 32' ' ' ARG . 18.0 p -126.3 154.8 42.94 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.314 -0.866 . . . . 0.0 109.799 -179.405 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.9 t -142.16 135.18 28.08 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 O-C-N 121.257 -0.902 . . . . 0.0 108.927 179.017 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -83.79 102.24 12.18 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.198 -0.939 . . . . 0.0 109.522 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.6 mtpt -134.0 134.06 42.03 Favored 'General case' 0 N--CA 1.501 2.093 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.533 ' O ' ' N ' ' A' ' 31' ' ' ARG . 60.3 t0 51.74 52.0 15.47 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.328 -0.857 . . . . 0.0 110.381 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 46.81 11.5 0.05 OUTLIER Glycine 0 N--CA 1.493 2.473 0 N-CA-C 110.431 -1.067 . . . . 0.0 110.431 179.362 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.533 ' N ' ' O ' ' A' ' 29' ' ' ASP . 40.5 ttp180 -124.58 138.75 54.3 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.21 -1.17 . . . . 0.0 109.77 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.479 HH21 HG21 ' A' ' 25' ' ' THR . 44.2 mtp180 -93.64 134.9 35.47 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.395 -0.816 . . . . 0.0 109.105 179.663 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 67.5 t -120.97 150.99 23.88 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.195 0 O-C-N 121.435 -0.79 . . . . 0.0 109.056 179.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -108.59 153.84 22.82 Favored 'General case' 0 N--CA 1.499 2.016 0 CA-C-O 121.683 0.754 . . . . 0.0 110.703 -178.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -140.24 136.28 33.2 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 179.13 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 38' ' ' THR . 9.2 p -116.5 152.68 33.58 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.417 -0.802 . . . . 0.0 109.433 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.79 -18.66 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.401 -0.812 . . . . 0.0 110.585 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 36' ' ' THR . 6.7 m -70.13 -24.25 63.15 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.744 -1.223 . . . . 0.0 110.485 -179.249 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.439 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 87.6 p -110.74 16.51 21.33 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.102 -0.998 . . . . 0.0 109.856 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.2 p -51.35 -12.08 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.096 -1.002 . . . . 0.0 109.679 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.428 ' N ' ' C ' ' A' ' 39' ' ' SER . 48.0 m -85.92 -53.15 5.28 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.93 -1.106 . . . . 0.0 110.465 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.557 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 28.4 p-10 -58.59 -24.69 61.44 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.945 -1.097 . . . . 0.0 109.354 -179.468 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.557 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 8.5 tp -75.16 -41.03 59.04 Favored 'General case' 0 N--CA 1.486 1.333 0 O-C-N 121.041 -1.037 . . . . 0.0 108.246 178.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -51.58 -34.61 37.83 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.222 -0.924 . . . . 0.0 109.243 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -74.78 -45.98 40.06 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.054 -1.029 . . . . 0.0 109.758 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.473 ' CZ ' HD11 ' A' ' 50' ' ' LEU . 32.0 t80 -51.36 -26.28 7.45 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.18 -0.95 . . . . 0.0 108.878 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.421 ' O ' ' OE2' ' A' ' 51' ' ' GLU . 89.7 mt -80.36 -41.37 20.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.304 -0.873 . . . . 0.0 109.59 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.45 -36.24 73.81 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.095 -1.003 . . . . 0.0 110.134 -179.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -68.3 -34.54 76.34 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.107 -0.996 . . . . 0.0 110.545 -179.091 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.473 HD11 ' CZ ' ' A' ' 46' ' ' TYR . 49.5 mt -70.4 -33.08 70.96 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.541 -1.35 . . . . 0.0 109.416 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.529 ' N ' ' OE1' ' A' ' 51' ' ' GLU . 0.1 OUTLIER -65.53 -30.08 70.8 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.854 -1.154 . . . . 0.0 109.143 179.607 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 69.0 t -82.34 -20.33 10.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 120.982 -1.074 . . . . 0.0 109.894 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -92.12 -8.34 45.99 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.009 -1.057 . . . . 0.0 109.123 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -123.3 -39.47 2.46 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 -179.531 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -65.38 177.11 12.51 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 23.5 mmt -139.1 51.56 1.79 Allowed 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.07 -1.253 . . . . 0.0 109.121 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.9 t -86.27 -157.89 0.38 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.212 -0.93 . . . . 0.0 109.354 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -172.34 -56.02 0.02 OUTLIER 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.58 -0.7 . . . . 0.0 109.309 178.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -72.21 -164.33 0.14 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.261 -0.899 . . . . 0.0 109.406 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 56.7 mtm180 -146.89 19.49 1.27 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.326 -0.859 . . . . 0.0 109.306 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.438 HH11 ' HG3' ' A' ' 61' ' ' ARG . 14.7 ttm-85 -64.62 -64.53 0.85 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.227 -0.921 . . . . 0.0 109.442 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.357 0 CA-C-O 117.983 -1.454 . . . . 0.0 109.545 -179.974 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.3 mtt . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.425 HG22 ' H ' ' A' ' 2' ' ' VAL . 2.6 m -86.29 85.18 2.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.329 -0.857 . . . . 0.0 109.325 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.5 ' N ' ' CD ' ' A' ' 3' ' ' ARG . 0.4 OUTLIER -76.94 7.99 4.27 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.824 -1.173 . . . . 0.0 109.418 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.585 ' H ' ' CD ' ' A' ' 4' ' ' GLN . 1.7 mp0 -43.76 -36.81 2.41 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.332 -0.855 . . . . 0.0 110.78 -179.641 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -76.88 -73.98 0.26 Allowed 'General case' 0 N--CA 1.501 2.123 0 O-C-N 120.808 -1.182 . . . . 0.0 109.717 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -46.52 -32.59 3.46 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.151 -0.968 . . . . 0.0 109.713 -179.347 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.2 tp -56.71 -54.28 47.98 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.249 -0.907 . . . . 0.0 108.61 179.002 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.05 -33.64 26.41 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.513 -0.742 . . . . 0.0 110.064 -179.409 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.36 -37.18 77.5 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.108 -0.995 . . . . 0.0 110.064 -179.439 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.96 -38.87 89.67 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.086 -1.009 . . . . 0.0 109.987 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 83.3 mtm180 -63.24 -33.35 75.3 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.188 -0.945 . . . . 0.0 109.1 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.63 -36.62 84.85 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.407 -0.808 . . . . 0.0 109.66 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.17 -41.57 98.43 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.159 -0.963 . . . . 0.0 109.396 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 30.1 tp -63.22 -32.71 74.17 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.068 -1.02 . . . . 0.0 108.76 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 26.6 t60 -75.46 -41.37 55.79 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.223 -0.923 . . . . 0.0 110.631 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -76.41 -39.46 53.52 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 121.015 -1.053 . . . . 0.0 111.346 -178.225 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 59.3 mt -67.76 -29.47 68.68 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.755 -1.216 . . . . 0.0 110.852 -178.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 25.9 ttm -102.23 -0.01 33.71 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 120.791 -1.193 . . . . 0.0 110.562 -178.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.9 m -97.01 -23.09 16.44 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.011 -1.056 . . . . 0.0 109.57 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 167.52 -70.51 0.17 Allowed Glycine 0 N--CA 1.492 2.385 0 C-N-CA 119.539 -1.315 . . . . 0.0 110.216 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.6 mttm -45.94 132.01 9.39 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.23 -1.159 . . . . 0.0 109.69 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -93.13 -14.42 27.24 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.277 -0.889 . . . . 0.0 109.868 -179.181 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.5 p -115.57 147.12 19.18 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.372 0 CA-C-O 121.677 0.751 . . . . 0.0 110.898 -178.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.45 152.47 33.09 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 179.316 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 69.5 p -139.67 145.47 38.47 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.096 -1.003 . . . . 0.0 109.866 -179.426 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.7 m -146.64 168.94 5.52 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.933 0 O-C-N 121.252 -0.905 . . . . 0.0 108.766 178.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -83.89 124.78 31.34 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.137 -0.977 . . . . 0.0 109.458 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -135.61 114.96 12.52 Favored 'General case' 0 N--CA 1.503 2.222 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 179.506 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.498 ' C ' ' H ' ' A' ' 31' ' ' ARG . 20.0 t70 49.2 51.73 15.72 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.244 -0.91 . . . . 0.0 110.386 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 64.76 -22.32 0.1 Allowed Glycine 0 N--CA 1.493 2.459 0 O-C-N 121.05 -1.031 . . . . 0.0 111.096 179.122 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.498 ' H ' ' C ' ' A' ' 29' ' ' ASP . 12.1 ptm180 -100.65 140.18 35.28 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 120.667 -1.49 . . . . 0.0 109.666 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.554 ' CG ' HH11 ' A' ' 32' ' ' ARG . 0.1 OUTLIER -90.34 134.04 34.58 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.465 -0.772 . . . . 0.0 109.378 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 78.7 t -122.5 153.56 27.2 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 CA-C-O 121.607 0.718 . . . . 0.0 109.093 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -103.73 155.89 18.23 Favored 'General case' 0 N--CA 1.499 1.98 0 CA-C-O 121.516 0.674 . . . . 0.0 110.083 -179.526 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -139.79 135.62 33.22 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.455 ' O ' ' N ' ' A' ' 38' ' ' THR . 8.9 p -118.27 152.84 34.98 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.532 -0.73 . . . . 0.0 109.339 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.98 -17.84 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.447 -0.783 . . . . 0.0 110.649 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.455 ' N ' ' O ' ' A' ' 36' ' ' THR . 3.4 p -70.36 -23.89 62.88 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.725 -1.234 . . . . 0.0 110.358 -179.179 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 41' ' ' SER . 90.0 p -111.84 16.15 20.54 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.026 -1.046 . . . . 0.0 109.877 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.3 p -50.13 -12.07 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.004 -1.06 . . . . 0.0 109.611 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 39' ' ' SER . 42.0 t -84.89 -52.45 6.0 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.982 -1.074 . . . . 0.0 110.498 -179.755 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.554 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 35.3 p-10 -60.15 -24.72 64.94 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.833 -1.167 . . . . 0.0 109.624 -179.325 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.554 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 7.8 tp -74.61 -41.92 59.56 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 120.883 -1.136 . . . . 0.0 108.378 179.006 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.5 mtmt -51.66 -35.23 41.5 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.015 -1.053 . . . . 0.0 108.834 179.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -68.9 -45.22 71.48 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.176 -0.952 . . . . 0.0 109.559 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.547 ' CZ ' HD11 ' A' ' 50' ' ' LEU . 34.3 t80 -54.94 -29.16 55.81 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.338 -0.851 . . . . 0.0 109.414 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 88.6 mt -78.53 -33.02 16.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.224 -0.922 . . . . 0.0 109.175 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.96 -44.48 54.73 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.229 -0.919 . . . . 0.0 109.941 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -61.11 -35.77 77.93 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.151 -0.968 . . . . 0.0 110.374 -179.158 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.547 HD11 ' CZ ' ' A' ' 46' ' ' TYR . 54.5 mt -70.38 -31.94 69.4 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 120.681 -1.262 . . . . 0.0 109.242 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -63.03 -29.28 70.7 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.914 -1.116 . . . . 0.0 109.104 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 77.3 t -82.86 -20.43 9.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.06 -1.025 . . . . 0.0 110.01 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -91.26 -8.94 46.93 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.891 -1.13 . . . . 0.0 109.35 -179.509 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -124.26 -31.73 3.28 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 -179.584 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -74.09 -50.62 10.19 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.648 -1.381 . . . . 0.0 109.648 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 35.2 tpp 55.36 51.91 12.22 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.256 -1.144 . . . . 0.0 109.203 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.526 ' O ' ' N ' ' A' ' 59' ' ' ARG . 12.9 t -88.41 -36.1 16.72 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.282 -0.886 . . . . 0.0 109.456 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.446 ' N ' HG23 ' A' ' 57' ' ' THR . 62.6 tt0 -45.71 -15.82 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.425 -0.797 . . . . 0.0 109.942 -179.3 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.526 ' N ' ' O ' ' A' ' 57' ' ' THR . 37.2 ttp180 -51.42 -93.07 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.185 -0.947 . . . . 0.0 109.401 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.6 mtp180 -48.42 -74.75 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.135 -0.978 . . . . 0.0 109.531 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 28.8 ptt180 -174.33 -163.44 0.15 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.212 -0.93 . . . . 0.0 109.463 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.301 0 CA-C-O 118.001 -1.444 . . . . 0.0 109.546 -179.962 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.66 ' N ' HH12 ' A' ' 3' ' ' ARG . 25.3 ttt . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.501 ' C ' ' H ' ' A' ' 4' ' ' GLN . 2.1 m -125.43 88.51 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.015 0 O-C-N 121.493 -0.754 . . . . 0.0 109.178 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.66 HH12 ' N ' ' A' ' 1' ' ' MET . 10.9 mpt_? -71.81 15.03 0.16 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.957 -1.089 . . . . 0.0 109.22 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.501 ' H ' ' C ' ' A' ' 2' ' ' VAL . 32.4 mt-30 -43.46 -35.95 1.81 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.348 -0.845 . . . . 0.0 111.146 -179.49 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -77.13 -75.66 0.2 Allowed 'General case' 0 N--CA 1.501 2.097 0 O-C-N 120.716 -1.24 . . . . 0.0 109.839 -179.212 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -47.33 -32.87 5.15 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.184 -0.947 . . . . 0.0 109.966 -179.149 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 16.7 tp -57.92 -54.62 44.87 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.061 -1.024 . . . . 0.0 108.795 179.46 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.21 -30.6 50.46 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.499 -0.751 . . . . 0.0 110.29 -179.178 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.57 -29.64 63.72 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.105 -0.997 . . . . 0.0 110.046 -179.406 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.41 -42.06 59.84 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.04 -1.038 . . . . 0.0 109.718 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -59.81 -36.41 76.7 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.179 -0.951 . . . . 0.0 108.875 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.59 -40.25 96.47 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.437 -0.79 . . . . 0.0 109.405 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.3 -34.12 66.18 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.185 -0.947 . . . . 0.0 109.14 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.6 tp -68.0 -36.45 80.02 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.226 -0.921 . . . . 0.0 109.169 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 47.7 t60 -76.63 -36.63 57.29 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.017 -1.052 . . . . 0.0 110.715 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -76.87 -31.64 56.93 Favored 'General case' 0 C--N 1.294 -1.844 0 O-C-N 121.027 -1.046 . . . . 0.0 111.455 -178.105 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 64.3 mt -79.23 -29.16 42.61 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 120.642 -1.286 . . . . 0.0 111.289 -179.035 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.499 ' SD ' ' O ' ' A' ' 18' ' ' MET . 25.2 tpp -101.93 -3.92 27.03 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 120.829 -1.169 . . . . 0.0 110.395 -178.461 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 20.2 m -89.9 -23.0 21.73 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.642 -1.286 . . . . 0.0 109.461 179.324 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 161.03 -52.45 0.34 Allowed Glycine 0 N--CA 1.491 2.322 0 C-N-CA 119.47 -1.347 . . . . 0.0 110.495 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.4 mmtm -51.0 135.46 24.73 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.051 -1.264 . . . . 0.0 109.226 -179.231 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 38.2 mtp180 -93.7 -13.23 27.72 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.232 -0.918 . . . . 0.0 110.793 -179.175 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.9 p -129.65 151.65 36.14 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.376 0 O-C-N 121.189 -0.944 . . . . 0.0 110.943 -178.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -148.49 152.23 36.52 Favored 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.4 p -125.05 155.6 39.52 Favored 'General case' 0 N--CA 1.503 2.181 0 O-C-N 121.309 -0.869 . . . . 0.0 109.796 -179.527 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.8 t -143.98 135.01 21.82 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.959 0 O-C-N 121.293 -0.879 . . . . 0.0 108.904 179.071 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -89.54 102.55 15.23 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.209 -0.932 . . . . 0.0 109.187 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.0 mtmm -125.33 125.67 43.85 Favored 'General case' 0 N--CA 1.5 2.054 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 179.533 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 31' ' ' ARG . 20.7 t70 52.88 57.95 5.84 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.298 -0.877 . . . . 0.0 109.38 -179.313 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 44.97 21.43 0.33 Allowed Glycine 0 N--CA 1.493 2.445 0 N-CA-C 110.164 -1.174 . . . . 0.0 110.164 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 29' ' ' ASP . 43.5 ttp180 -125.37 146.61 49.51 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.139 -1.212 . . . . 0.0 110.081 -179.615 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 72.8 mtm180 -104.56 134.51 47.62 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 179.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 46.5 t -128.69 145.25 35.9 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.188 0 O-C-N 121.202 -0.936 . . . . 0.0 109.037 179.465 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -103.77 153.23 20.95 Favored 'General case' 0 N--CA 1.498 1.953 0 CA-C-O 121.696 0.76 . . . . 0.0 110.651 -178.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -140.28 136.35 33.2 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 179.04 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 38' ' ' THR . 10.0 p -117.51 152.69 34.55 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.452 -0.78 . . . . 0.0 109.459 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.27 -18.36 0.05 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.421 -0.799 . . . . 0.0 110.663 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.434 ' N ' ' O ' ' A' ' 36' ' ' THR . 4.3 p -72.31 -23.29 61.15 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.75 -1.219 . . . . 0.0 110.224 -179.289 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.412 ' C ' ' N ' ' A' ' 41' ' ' SER . 93.6 p -110.42 16.99 21.27 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 121.114 -0.991 . . . . 0.0 109.769 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.1 p -52.26 -11.72 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.298 -0.876 . . . . 0.0 109.592 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.412 ' N ' ' C ' ' A' ' 39' ' ' SER . 48.3 t -84.79 -53.31 5.43 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.962 -1.086 . . . . 0.0 110.776 -179.492 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.524 ' OD1' ' N ' ' A' ' 42' ' ' ASP . 0.0 OUTLIER -60.01 -23.36 63.6 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.759 -1.213 . . . . 0.0 109.024 -179.219 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.3 tp -75.13 -40.53 59.69 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 120.819 -1.175 . . . . 0.0 108.116 178.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttt -51.22 -36.77 43.28 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.088 -1.007 . . . . 0.0 108.751 179.481 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -71.25 -45.58 62.9 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.143 -0.973 . . . . 0.0 110.329 -179.623 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.488 ' CZ ' HD11 ' A' ' 50' ' ' LEU . 29.4 t80 -55.08 -27.63 46.38 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.196 -0.94 . . . . 0.0 109.634 -179.638 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 85.1 mt -78.82 -32.47 15.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.067 -1.021 . . . . 0.0 108.875 179.434 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.84 -48.35 38.45 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.349 -0.845 . . . . 0.0 110.324 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -58.73 -42.43 88.74 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.949 -1.094 . . . . 0.0 110.216 -179.064 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.488 HD11 ' CZ ' ' A' ' 46' ' ' TYR . 38.2 mt -62.23 -32.44 73.12 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 120.731 -1.231 . . . . 0.0 109.197 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -63.74 -29.97 71.12 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.856 -1.153 . . . . 0.0 109.345 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 70.2 t -83.31 -20.79 9.11 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 120.947 -1.096 . . . . 0.0 109.751 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -89.93 -8.8 50.93 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.03 -1.044 . . . . 0.0 108.814 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -123.77 -27.09 4.02 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -77.28 -168.54 30.36 Favored Glycine 0 N--CA 1.489 2.184 0 N-CA-C 109.204 -1.559 . . . . 0.0 109.204 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 15.5 tpt -158.36 69.6 0.51 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.751 -1.441 . . . . 0.0 109.532 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.5 t -142.89 170.6 15.39 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.197 -0.939 . . . . 0.0 109.447 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -173.58 60.64 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.396 0 C-N-CA 120.015 -0.674 . . . . 0.0 109.262 178.53 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 51.7 mtp180 -148.3 4.89 0.72 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.148 -0.97 . . . . 0.0 109.584 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 10.8 mtm180 -58.3 -11.22 2.53 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.18 -0.95 . . . . 0.0 109.381 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 51.18 -164.66 0.05 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.252 -0.905 . . . . 0.0 109.428 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.243 0 CA-C-O 117.948 -1.473 . . . . 0.0 109.534 -179.974 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.613 ' N ' ' NH1' ' A' ' 3' ' ' ARG . 64.7 mtt . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.475 ' C ' ' H ' ' A' ' 4' ' ' GLN . 2.7 m -143.88 84.14 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 O-C-N 121.172 -0.955 . . . . 0.0 109.541 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.613 ' NH1' ' N ' ' A' ' 1' ' ' MET . 10.5 mpt_? -73.62 15.09 0.29 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.822 -1.174 . . . . 0.0 108.949 179.495 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.475 ' H ' ' C ' ' A' ' 2' ' ' VAL . 83.5 mt-30 -42.97 -39.2 2.52 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.495 -0.753 . . . . 0.0 110.964 -179.481 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.47 ' CD ' ' N ' ' A' ' 5' ' ' GLU . 15.4 mp0 -74.68 -76.06 0.15 Allowed 'General case' 0 N--CA 1.5 2.044 0 O-C-N 120.799 -1.188 . . . . 0.0 110.388 -179.088 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -47.52 -32.68 5.52 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.21 -0.931 . . . . 0.0 109.904 -179.255 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 16.5 tp -55.96 -50.96 69.35 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.122 -0.986 . . . . 0.0 108.684 179.065 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.46 -39.58 70.55 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.63 -0.669 . . . . 0.0 110.841 -178.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.34 -28.61 62.15 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.045 -1.034 . . . . 0.0 111.265 -178.465 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.17 -51.03 50.47 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.922 -1.111 . . . . 0.0 110.676 -178.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.4 ptt180 -60.81 -35.79 77.4 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 120.872 -1.143 . . . . 0.0 108.691 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.43 -34.34 68.85 Favored 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 179.353 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.34 -41.87 98.93 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 179.555 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 22.5 tp -56.48 -34.78 67.24 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.152 -0.967 . . . . 0.0 108.893 179.459 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -76.63 -38.44 54.69 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.16 -0.962 . . . . 0.0 110.873 -179.291 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -76.9 -30.96 56.39 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 120.91 -1.119 . . . . 0.0 111.496 -178.019 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 75.5 mt -78.49 -29.14 46.54 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 120.726 -1.234 . . . . 0.0 110.955 -179.065 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.443 ' CG ' ' O ' ' A' ' 18' ' ' MET . 21.7 ttm -102.67 0.18 32.74 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 120.93 -1.106 . . . . 0.0 110.596 -178.786 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.4 m -92.88 -23.61 18.73 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.898 -1.126 . . . . 0.0 109.489 179.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 171.58 -79.18 0.09 OUTLIER Glycine 0 N--CA 1.491 2.345 0 C-N-CA 119.608 -1.282 . . . . 0.0 110.061 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.3 mtpt -48.48 138.06 10.78 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.211 -1.17 . . . . 0.0 109.392 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 65.0 mtm180 -93.14 -13.84 27.95 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.256 -0.902 . . . . 0.0 110.249 -179.541 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 42.5 t -109.2 151.01 11.63 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.196 0 O-C-N 121.231 -0.918 . . . . 0.0 111.092 -178.633 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.36 152.38 33.05 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 107.845 -1.168 . . . . 0.0 107.845 178.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 17.7 p -122.19 149.19 43.98 Favored 'General case' 0 N--CA 1.505 2.302 0 O-C-N 121.136 -0.977 . . . . 0.0 110.828 -178.558 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.4 t -146.27 134.51 15.91 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 178.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -88.0 103.52 15.78 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.252 -0.905 . . . . 0.0 109.209 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.4 mtmm -131.04 146.03 52.24 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.448 -0.782 . . . . 0.0 109.138 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.539 ' O ' ' N ' ' A' ' 31' ' ' ARG . 6.1 m-20 50.68 47.38 24.46 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.407 -0.808 . . . . 0.0 110.377 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 45.8 13.2 0.05 OUTLIER Glycine 0 N--CA 1.493 2.489 0 O-C-N 120.962 -1.086 . . . . 0.0 110.386 179.315 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.539 ' N ' ' O ' ' A' ' 29' ' ' ASP . 32.3 ttm180 -125.03 142.83 51.24 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.113 -1.228 . . . . 0.0 110.023 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -76.96 134.59 38.84 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.624 -0.672 . . . . 0.0 109.232 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.8 t -130.57 147.47 33.14 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.314 0 O-C-N 121.245 -0.909 . . . . 0.0 109.127 179.348 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -119.97 154.3 34.7 Favored 'General case' 0 N--CA 1.501 2.114 0 CA-C-O 121.732 0.777 . . . . 0.0 110.613 -179.148 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -138.93 136.66 35.69 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 38' ' ' THR . 5.6 p -118.17 153.52 33.7 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.46 -0.775 . . . . 0.0 109.069 179.525 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.3 -18.98 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.328 -0.857 . . . . 0.0 110.779 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 36' ' ' THR . 5.5 m -69.46 -23.44 63.66 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.772 -1.205 . . . . 0.0 110.461 -179.155 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 88.1 p -111.14 17.16 20.61 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.189 -0.944 . . . . 0.0 109.967 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.5 p -52.67 -12.4 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 121.256 -0.903 . . . . 0.0 109.871 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 40.9 t -85.09 -53.02 5.54 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.896 -1.127 . . . . 0.0 110.738 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' A' ' 42' ' ' ASP . 0.0 OUTLIER -61.27 -23.57 65.76 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.904 -1.122 . . . . 0.0 109.044 -179.294 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.8 tp -74.21 -43.17 58.19 Favored 'General case' 0 N--CA 1.486 1.33 0 O-C-N 120.769 -1.207 . . . . 0.0 108.244 179.197 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 25.4 mttp -51.86 -35.01 43.43 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.102 -0.999 . . . . 0.0 109.288 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -74.96 -30.73 61.29 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.055 -1.028 . . . . 0.0 110.082 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -66.53 -28.76 68.8 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.299 -0.875 . . . . 0.0 109.629 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 97.1 mt -79.98 -35.14 15.78 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 121.157 -0.964 . . . . 0.0 109.146 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.54 -44.4 57.62 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.319 -0.863 . . . . 0.0 109.924 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -61.85 -34.46 76.01 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.148 -0.97 . . . . 0.0 110.451 -179.181 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 50' ' ' LEU . 46.3 mt -70.7 -33.02 70.45 Favored 'General case' 0 N--CA 1.5 2.046 0 C-N-CA 118.599 -1.24 . . . . 0.0 109.389 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -63.13 -29.86 71.13 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.74 -1.225 . . . . 0.0 108.759 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 72.4 t -83.01 -20.48 9.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.085 -1.009 . . . . 0.0 109.78 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -92.75 -8.68 43.11 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.042 -1.036 . . . . 0.0 109.607 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -118.81 -15.54 9.4 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 -179.577 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -72.37 -55.28 6.99 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.233 -1.547 . . . . 0.0 109.233 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 37.7 ttp -172.48 154.09 3.06 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.224 -1.162 . . . . 0.0 108.898 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.481 HG23 ' N ' ' A' ' 58' ' ' GLN . 13.9 t -171.38 -39.1 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.579 -1.326 . . . . 0.0 109.488 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.481 ' N ' HG23 ' A' ' 57' ' ' THR . 43.4 tt0 -46.62 -39.1 10.62 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.435 -0.791 . . . . 0.0 109.784 -179.38 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -76.9 137.71 39.29 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.252 -0.905 . . . . 0.0 109.559 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 40.6 mtp180 -146.76 60.89 1.2 Allowed 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.288 -0.882 . . . . 0.0 109.313 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -53.08 -45.63 68.26 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.196 -0.94 . . . . 0.0 109.518 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.235 0 CA-C-O 118.046 -1.419 . . . . 0.0 109.582 179.999 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.4 ttt . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.596 ' O ' HG23 ' A' ' 2' ' ' VAL . 27.0 m -143.82 113.9 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 121.242 -0.911 . . . . 0.0 109.167 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.444 ' N ' ' CD ' ' A' ' 3' ' ' ARG . 10.1 mpt_? -83.38 28.03 0.56 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.7 -1.25 . . . . 0.0 109.244 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -44.83 -48.13 11.02 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.313 -0.867 . . . . 0.0 110.601 -179.553 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.461 ' CD ' ' N ' ' A' ' 5' ' ' GLU . 2.0 mp0 -63.77 -51.27 65.58 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.131 -0.98 . . . . 0.0 111.0 -178.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -66.91 -38.27 85.92 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.013 -1.055 . . . . 0.0 109.451 -179.296 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.464 ' O ' HD23 ' A' ' 7' ' ' LEU . 1.3 tt -51.16 -54.76 22.38 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.265 -0.897 . . . . 0.0 108.655 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.95 -39.95 63.31 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.481 -0.762 . . . . 0.0 110.107 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.88 -41.66 91.31 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.15 -0.969 . . . . 0.0 110.055 -179.563 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.12 -37.72 77.88 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.119 -0.988 . . . . 0.0 109.989 -179.541 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 44.8 mtp180 -63.04 -39.54 95.03 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.073 -1.017 . . . . 0.0 109.073 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.82 -32.21 69.17 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.415 -0.803 . . . . 0.0 109.579 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.35 -38.45 84.85 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.207 -0.933 . . . . 0.0 109.376 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 36.5 tp -60.16 -32.95 71.53 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.078 -1.014 . . . . 0.0 109.146 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.453 ' O ' ' OG1' ' A' ' 19' ' ' THR . 41.4 t60 -76.99 -39.2 51.31 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.204 -0.935 . . . . 0.0 110.835 -179.556 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.411 ' O ' ' O ' ' A' ' 21' ' ' LYS . 27.8 t70 -76.04 -31.51 58.87 Favored 'General case' 0 C--N 1.296 -1.749 0 O-C-N 120.881 -1.137 . . . . 0.0 111.419 -178.116 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 90.7 mt -78.54 -28.39 46.08 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.78 -1.2 . . . . 0.0 111.186 -178.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 26.1 ttm -104.24 -4.56 22.86 Favored 'General case' 0 N--CA 1.505 2.298 0 O-C-N 120.744 -1.223 . . . . 0.0 111.189 -178.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.453 ' OG1' ' O ' ' A' ' 15' ' ' HIS . 55.3 m -92.19 -23.2 19.45 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.727 -1.233 . . . . 0.0 110.026 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 164.79 -73.45 0.18 Allowed Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.481 -1.448 . . . . 0.0 109.481 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' A' ' 16' ' ' ASP . 18.7 ttmt -47.14 127.66 10.71 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.271 -1.135 . . . . 0.0 108.819 179.622 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 -93.19 -14.45 27.11 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.254 -0.904 . . . . 0.0 111.134 -178.638 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.7 t -107.88 144.7 16.15 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.34 0 O-C-N 121.002 -1.061 . . . . 0.0 111.247 -178.416 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -150.93 152.67 33.94 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 179.163 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 40.3 p -126.32 153.46 44.83 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.387 -0.821 . . . . 0.0 109.631 -179.434 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.9 t -141.5 135.12 30.67 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.05 0 O-C-N 121.163 -0.96 . . . . 0.0 108.984 179.112 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -84.3 103.54 13.57 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.216 -0.928 . . . . 0.0 109.228 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.4 mtmt -133.23 129.77 38.14 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.514 -0.741 . . . . 0.0 109.1 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.527 ' O ' ' N ' ' A' ' 31' ' ' ARG . 30.4 m-20 52.21 53.85 11.74 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.295 -0.878 . . . . 0.0 110.16 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 45.35 14.42 0.06 OUTLIER Glycine 0 N--CA 1.492 2.429 0 N-CA-C 110.435 -1.066 . . . . 0.0 110.435 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.527 ' N ' ' O ' ' A' ' 29' ' ' ASP . 40.8 ttp180 -124.67 130.18 51.93 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.049 -1.265 . . . . 0.0 109.924 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.0 ptp180 -89.04 135.12 33.73 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 46.9 t -124.9 151.63 30.62 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.279 0 O-C-N 121.3 -0.875 . . . . 0.0 109.267 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -109.2 152.57 24.98 Favored 'General case' 0 N--CA 1.5 2.029 0 CA-C-O 121.659 0.742 . . . . 0.0 110.334 -179.297 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -141.13 135.64 31.08 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.294 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 38' ' ' THR . 4.6 p -119.84 154.17 34.7 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.524 -0.735 . . . . 0.0 109.156 179.461 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -44.88 -18.45 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.267 -0.895 . . . . 0.0 110.748 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.471 ' N ' ' O ' ' A' ' 36' ' ' THR . 5.8 m -67.06 -23.1 65.84 Favored 'General case' 0 N--CA 1.486 1.347 0 O-C-N 120.746 -1.221 . . . . 0.0 110.198 -179.389 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.447 ' C ' ' H ' ' A' ' 41' ' ' SER . 92.9 p -114.07 16.98 18.06 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.175 -0.953 . . . . 0.0 110.589 -179.515 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.8 p -51.46 -10.92 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 120.981 -1.074 . . . . 0.0 109.358 179.584 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.447 ' H ' ' C ' ' A' ' 39' ' ' SER . 45.1 t -85.54 -52.54 5.76 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.064 -1.023 . . . . 0.0 110.893 -179.424 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' A' ' 42' ' ' ASP . 0.0 OUTLIER -64.63 -24.55 67.62 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.794 -1.191 . . . . 0.0 109.321 -179.102 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.1 tp -73.83 -44.11 56.7 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 120.653 -1.28 . . . . 0.0 107.725 178.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -51.69 -31.09 24.6 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 52.4 tttm -76.05 -39.77 54.77 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.454 -0.779 . . . . 0.0 109.755 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -60.66 -29.48 69.31 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.353 -0.842 . . . . 0.0 109.644 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 90.0 mt -77.94 -39.47 25.76 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.155 -0.966 . . . . 0.0 109.414 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.18 -40.33 71.32 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.194 -0.941 . . . . 0.0 109.899 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -62.2 -33.51 74.69 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.159 -0.963 . . . . 0.0 110.225 -179.464 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 48.6 mt -70.8 -31.81 68.69 Favored 'General case' 0 N--CA 1.498 1.962 0 C-N-CA 118.412 -1.315 . . . . 0.0 108.641 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -63.21 -29.76 71.03 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.027 -1.046 . . . . 0.0 109.34 179.588 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 75.6 t -83.9 -20.79 8.79 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 120.986 -1.071 . . . . 0.0 110.613 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -92.38 -9.56 41.31 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.788 -1.195 . . . . 0.0 109.335 -179.294 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -125.06 -40.95 2.12 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -87.55 -175.33 48.52 Favored Glycine 0 N--CA 1.493 2.46 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 3.0 tpt -157.68 61.91 0.48 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.938 -1.331 . . . . 0.0 109.325 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.667 HG23 ' N ' ' A' ' 58' ' ' GLN . 13.5 t -82.92 -139.29 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.277 -0.889 . . . . 0.0 109.256 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.667 ' N ' HG23 ' A' ' 57' ' ' THR . 28.6 tp60 78.13 104.05 0.07 Allowed 'General case' 0 N--CA 1.489 1.494 0 CA-C-O 121.3 0.571 . . . . 0.0 109.47 179.597 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 31.9 ptt180 -161.24 158.63 27.57 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.195 -0.941 . . . . 0.0 109.455 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -70.27 176.02 4.22 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.229 -0.919 . . . . 0.0 109.361 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -90.76 -57.15 2.92 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.169 -0.957 . . . . 0.0 109.417 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.318 0 CA-C-O 118.037 -1.424 . . . . 0.0 109.555 -179.962 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 76.2 mtp . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.606 ' O ' HG23 ' A' ' 2' ' ' VAL . 18.0 m -143.49 112.8 2.03 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 121.182 -0.949 . . . . 0.0 109.098 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.409 ' N ' ' CD ' ' A' ' 3' ' ' ARG . 9.7 mpt_? -83.97 37.35 0.6 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.78 -1.2 . . . . 0.0 109.305 -179.613 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -50.27 -48.76 54.74 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.285 -0.884 . . . . 0.0 110.548 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -66.21 -47.14 74.83 Favored 'General case' 0 N--CA 1.506 2.357 0 O-C-N 121.13 -0.981 . . . . 0.0 110.899 -178.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -70.38 -39.26 74.68 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.761 -1.212 . . . . 0.0 109.522 -178.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 15.5 tp -50.77 -53.93 27.68 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.322 -0.861 . . . . 0.0 108.776 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.9 -42.71 69.02 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.469 -0.77 . . . . 0.0 109.975 -179.641 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.29 -34.3 77.38 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.205 -0.934 . . . . 0.0 110.021 -179.565 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.68 -43.02 81.13 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.056 -1.028 . . . . 0.0 109.823 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 57.6 mtp180 -58.52 -38.23 77.3 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.156 -0.965 . . . . 0.0 109.095 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.33 -37.6 81.13 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.463 -0.773 . . . . 0.0 109.407 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.57 -38.25 80.65 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.229 -0.919 . . . . 0.0 109.241 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.1 tp -64.47 -34.1 77.43 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.192 -0.943 . . . . 0.0 108.821 179.391 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 37.0 t60 -76.12 -40.43 52.86 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.263 -0.898 . . . . 0.0 110.715 -179.599 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -76.75 -31.16 56.89 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 120.87 -1.144 . . . . 0.0 111.595 -178.105 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 75.7 mt -77.07 -28.24 54.6 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 120.61 -1.306 . . . . 0.0 110.894 -179.078 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.449 ' CG ' ' O ' ' A' ' 18' ' ' MET . 19.3 ttm -102.79 0.86 33.39 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.006 -1.059 . . . . 0.0 110.482 -179.164 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 53.1 m -102.6 -24.07 13.81 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.141 -0.975 . . . . 0.0 110.184 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 171.84 -79.39 0.09 OUTLIER Glycine 0 N--CA 1.492 2.38 0 C-N-CA 119.413 -1.375 . . . . 0.0 110.352 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.406 ' HG3' ' H ' ' A' ' 21' ' ' LYS . 66.4 mttt -46.1 107.36 0.1 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.201 -1.176 . . . . 0.0 109.656 -179.565 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.567 ' NH1' ' CB ' ' A' ' 37' ' ' ALA . 17.3 mmm180 -72.15 -14.85 61.93 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.425 -0.797 . . . . 0.0 110.065 -179.319 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 45.6 t -109.38 149.18 12.65 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.17 0 O-C-N 121.32 -0.862 . . . . 0.0 110.569 -179.106 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.65 152.42 32.8 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.9 p -125.38 154.68 41.52 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.385 -0.822 . . . . 0.0 109.774 -179.482 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.8 t -141.21 134.78 31.4 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.015 0 O-C-N 121.174 -0.954 . . . . 0.0 108.746 178.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -86.74 107.58 18.31 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.142 -0.974 . . . . 0.0 109.307 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.489 ' NZ ' ' CZ ' ' A' ' 46' ' ' TYR . 38.4 mtpt -133.63 120.7 21.02 Favored 'General case' 0 N--CA 1.499 2.015 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.526 ' O ' ' N ' ' A' ' 31' ' ' ARG . 23.7 t70 53.18 58.69 5.03 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.341 -0.849 . . . . 0.0 109.874 -179.743 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 45.48 15.09 0.08 OUTLIER Glycine 0 N--CA 1.491 2.359 0 N-CA-C 110.249 -1.14 . . . . 0.0 110.249 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.526 ' N ' ' O ' ' A' ' 29' ' ' ASP . 42.4 ttp180 -120.11 131.83 55.2 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.219 -1.165 . . . . 0.0 109.854 -179.669 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.49 HH11 ' HG2' ' A' ' 32' ' ' ARG . 13.6 mtt-85 -101.25 134.6 44.05 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 59.8 t -125.58 144.73 34.63 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.228 0 O-C-N 121.266 -0.896 . . . . 0.0 109.166 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.469 ' N ' ' CD ' ' A' ' 34' ' ' GLU . 3.1 mp0 -102.38 147.14 27.07 Favored 'General case' 0 N--CA 1.497 1.892 0 CA-C-O 121.682 0.754 . . . . 0.0 110.62 -179.165 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -134.31 136.01 43.19 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 179.017 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.469 ' O ' ' N ' ' A' ' 38' ' ' THR . 7.2 p -118.09 153.66 33.39 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.451 -0.78 . . . . 0.0 109.297 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.567 ' CB ' ' NH1' ' A' ' 22' ' ' ARG . . . -45.21 -17.9 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.42 -0.8 . . . . 0.0 110.655 -179.697 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.469 ' N ' ' O ' ' A' ' 36' ' ' THR . 3.2 p -68.54 -23.74 64.55 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.751 -1.218 . . . . 0.0 110.109 -179.376 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 41' ' ' SER . 89.1 p -113.03 16.36 19.35 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 121.161 -0.962 . . . . 0.0 110.172 -179.685 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.2 p -49.84 -11.38 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.775 0 O-C-N 120.88 -1.137 . . . . 0.0 109.385 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.494 ' N ' ' O ' ' A' ' 39' ' ' SER . 94.0 p -84.91 -52.92 5.66 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.03 -1.044 . . . . 0.0 110.621 -179.634 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.54 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 30.0 p-10 -61.41 -25.7 67.37 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.849 -1.157 . . . . 0.0 109.693 -179.209 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.54 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 7.9 tp -74.09 -40.37 62.79 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 178.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -51.65 -35.9 44.04 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.35 -0.844 . . . . 0.0 108.912 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -73.35 -45.59 54.2 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.175 -0.953 . . . . 0.0 109.88 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.489 ' CZ ' ' NZ ' ' A' ' 28' ' ' LYS . 45.3 t80 -52.16 -29.77 23.65 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.282 -0.886 . . . . 0.0 109.39 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 86.5 mt -77.47 -35.24 21.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.26 -0.9 . . . . 0.0 109.188 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.25 -42.59 62.35 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.21 -0.932 . . . . 0.0 110.0 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -61.16 -35.08 76.14 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.178 -0.951 . . . . 0.0 110.407 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 50' ' ' LEU . 55.4 mt -71.55 -31.97 67.6 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.525 -1.359 . . . . 0.0 109.143 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -61.98 -29.74 70.45 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.852 -1.155 . . . . 0.0 108.936 179.306 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 69.9 t -83.19 -20.68 9.24 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.051 -1.031 . . . . 0.0 109.781 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -91.83 -7.98 47.9 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.144 -0.972 . . . . 0.0 109.282 -179.475 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -122.64 -16.12 7.31 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 -179.461 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 76.56 -136.21 18.73 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.615 -1.394 . . . . 0.0 109.615 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 13.8 tpt 57.6 60.63 2.75 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.755 -1.438 . . . . 0.0 109.533 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.7 t -93.23 -162.09 0.9 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.219 -0.926 . . . . 0.0 109.284 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -173.05 -27.45 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.467 -0.771 . . . . 0.0 109.487 178.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -66.16 -165.1 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.257 -0.902 . . . . 0.0 109.47 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -162.56 -103.12 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.339 -0.85 . . . . 0.0 109.369 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 24.9 ttm180 52.6 45.99 27.57 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.965 -1.085 . . . . 0.0 109.266 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.328 0 CA-C-O 117.997 -1.446 . . . . 0.0 109.501 -179.872 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.7 mtt . . . . . 0 N--CA 1.489 1.508 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.617 ' O ' HG23 ' A' ' 2' ' ' VAL . 26.9 m -143.45 98.69 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 121.319 -0.863 . . . . 0.0 109.201 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.47 ' CD ' ' N ' ' A' ' 3' ' ' ARG . 10.1 mpt_? -82.81 29.15 0.46 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.656 -1.277 . . . . 0.0 109.008 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 37.3 mm-40 -45.01 -43.17 8.97 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.532 -0.73 . . . . 0.0 110.471 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -72.54 -58.86 3.05 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 121.097 -1.002 . . . . 0.0 110.31 -179.03 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -57.68 -37.4 73.37 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.941 -1.1 . . . . 0.0 109.126 -179.223 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 14.3 tp -51.11 -54.23 27.01 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.465 -0.772 . . . . 0.0 108.937 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.02 -35.97 62.51 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.423 -0.798 . . . . 0.0 109.984 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.19 -28.9 67.67 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.154 -0.966 . . . . 0.0 110.009 -179.586 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.21 -43.52 64.36 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.059 -1.026 . . . . 0.0 109.795 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.502 HH11 ' HG2' ' A' ' 11' ' ' ARG . 14.9 mtt-85 -58.89 -32.45 69.51 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.111 -0.993 . . . . 0.0 108.875 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.68 -40.57 88.6 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.416 -0.803 . . . . 0.0 109.715 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.23 -34.15 70.11 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.118 -0.989 . . . . 0.0 109.438 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.9 tp -68.58 -34.34 75.63 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.131 -0.981 . . . . 0.0 108.95 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.411 ' O ' ' OG1' ' A' ' 19' ' ' THR . 64.1 m80 -76.89 -40.05 48.83 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.258 -0.901 . . . . 0.0 110.583 -179.574 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -76.15 -29.88 57.94 Favored 'General case' 0 C--N 1.295 -1.774 0 O-C-N 120.886 -1.134 . . . . 0.0 111.379 -178.015 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 50.8 mt -78.86 -29.6 44.62 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 120.636 -1.29 . . . . 0.0 110.933 -179.262 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.45 ' CG ' ' O ' ' A' ' 18' ' ' MET . 21.0 ttm -102.37 0.08 33.47 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 120.851 -1.156 . . . . 0.0 110.615 -178.683 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 15' ' ' HIS . 23.8 m -96.35 -22.7 17.03 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.033 -1.042 . . . . 0.0 109.551 179.544 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 166.8 -65.31 0.2 Allowed Glycine 0 N--CA 1.493 2.45 0 C-N-CA 119.675 -1.25 . . . . 0.0 110.006 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.475 ' CD ' ' H ' ' A' ' 21' ' ' LYS . 12.7 mptt -46.24 131.46 10.37 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.227 -1.16 . . . . 0.0 109.43 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -93.98 -13.58 26.85 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.335 -0.853 . . . . 0.0 110.221 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.2 p -121.61 147.77 25.4 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.356 0 O-C-N 121.391 -0.818 . . . . 0.0 111.047 -178.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -149.97 152.43 34.92 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 179.131 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 46.9 p -139.34 145.41 39.01 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.144 -0.972 . . . . 0.0 109.99 -179.434 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.8 m -146.62 170.36 4.59 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.25 -0.906 . . . . 0.0 108.683 178.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -84.1 130.44 34.86 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.118 -0.989 . . . . 0.0 109.604 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -135.48 101.21 4.73 Favored 'General case' 0 N--CA 1.503 2.211 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 179.338 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.509 ' C ' ' H ' ' A' ' 31' ' ' ARG . 81.7 m-20 50.84 54.78 10.62 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.346 -0.846 . . . . 0.0 110.229 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 66.71 -21.85 0.18 Allowed Glycine 0 N--CA 1.493 2.464 0 O-C-N 120.959 -1.088 . . . . 0.0 110.694 179.38 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.509 ' H ' ' C ' ' A' ' 29' ' ' ASP . 12.7 mpt_? -97.88 130.01 44.8 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.646 -1.503 . . . . 0.0 109.411 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -87.83 133.52 33.87 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 71.7 t -124.17 154.07 30.88 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.105 0 CA-C-O 121.651 0.739 . . . . 0.0 109.159 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -105.28 156.2 18.36 Favored 'General case' 0 N--CA 1.499 1.993 0 CA-C-O 121.554 0.692 . . . . 0.0 109.956 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -139.02 135.47 34.29 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 38' ' ' THR . 8.8 p -118.47 152.87 35.12 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.598 -0.689 . . . . 0.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.04 -18.56 0.05 Allowed 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.35 -0.844 . . . . 0.0 110.539 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.44 ' N ' ' O ' ' A' ' 36' ' ' THR . 6.8 m -70.89 -23.5 62.3 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.761 -1.212 . . . . 0.0 110.596 -179.097 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 41' ' ' SER . 99.5 p -112.59 16.2 19.81 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.052 -1.03 . . . . 0.0 109.88 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.7 p -49.58 -11.69 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.123 -0.986 . . . . 0.0 109.472 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 39' ' ' SER . 94.4 p -83.78 -52.58 6.28 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.041 -1.037 . . . . 0.0 110.626 -179.779 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.564 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 54.7 p30 -59.42 -24.32 63.38 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.829 -1.169 . . . . 0.0 109.646 -179.258 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.564 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 7.6 tp -74.76 -43.1 56.64 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 120.898 -1.126 . . . . 0.0 108.415 179.198 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.8 mttp -51.6 -34.67 38.31 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.002 -1.062 . . . . 0.0 109.011 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.5 mmpt? -69.72 -41.6 75.1 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.121 -0.987 . . . . 0.0 109.451 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.591 ' CZ ' HD11 ' A' ' 50' ' ' LEU . 35.9 t80 -58.72 -27.35 64.8 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.357 -0.839 . . . . 0.0 109.503 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 91.4 mt -80.24 -32.64 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.203 -0.936 . . . . 0.0 108.84 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.25 -45.37 56.28 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.314 -0.866 . . . . 0.0 110.289 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -62.4 -42.41 99.41 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.078 -1.014 . . . . 0.0 110.395 -179.058 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.591 HD11 ' CZ ' ' A' ' 46' ' ' TYR . 36.5 mt -61.91 -33.33 74.04 Favored 'General case' 0 N--CA 1.5 2.066 0 C-N-CA 118.702 -1.199 . . . . 0.0 109.438 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -65.51 -29.81 70.49 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.701 -1.25 . . . . 0.0 109.183 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 68.7 t -82.92 -20.28 9.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 120.997 -1.064 . . . . 0.0 109.579 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -91.63 -8.2 47.9 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.075 -1.016 . . . . 0.0 109.261 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.29 -33.31 3.7 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 -179.591 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -88.44 61.15 3.92 Favored Glycine 0 N--CA 1.493 2.5 0 N-CA-C 109.296 -1.522 . . . . 0.0 109.296 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 9.2 ttt -54.16 157.46 2.61 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.338 -1.095 . . . . 0.0 109.458 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.3 t -154.6 -160.47 1.08 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.701 -1.249 . . . . 0.0 109.206 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -172.02 156.03 3.94 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.506 -0.746 . . . . 0.0 109.509 178.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 54.21 58.98 4.5 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.323 -0.861 . . . . 0.0 109.512 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.0 ptp180 -77.19 -162.5 0.29 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.259 -0.901 . . . . 0.0 109.484 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 44.6 ttm180 -167.22 -74.47 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.244 -0.91 . . . . 0.0 109.416 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.378 0 CA-C-O 118.008 -1.44 . . . . 0.0 109.509 -180.0 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.2 ttt . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.506 ' C ' ' H ' ' A' ' 4' ' ' GLN . 2.1 m -81.74 91.6 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.238 -0.914 . . . . 0.0 109.436 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.418 ' N ' ' CD ' ' A' ' 3' ' ' ARG . 0.5 OUTLIER -70.98 13.15 0.21 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.927 -1.108 . . . . 0.0 109.225 179.816 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.506 ' H ' ' C ' ' A' ' 2' ' ' VAL . 35.8 mm-40 -43.7 -35.89 2.0 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.452 -0.78 . . . . 0.0 110.899 -179.651 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.441 ' CD ' ' N ' ' A' ' 5' ' ' GLU . 20.7 mp0 -76.8 -75.83 0.19 Allowed 'General case' 0 N--CA 1.5 2.072 0 O-C-N 120.731 -1.231 . . . . 0.0 110.27 -179.387 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.406 ' OE2' HD13 ' A' ' 50' ' ' LEU . 1.0 OUTLIER -46.86 -30.27 2.41 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.237 -0.915 . . . . 0.0 109.92 -179.11 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 14.3 tp -60.32 -54.35 46.71 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.112 -0.993 . . . . 0.0 108.999 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.28 -32.36 37.01 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.461 -0.774 . . . . 0.0 110.257 -179.424 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.17 -39.5 71.85 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.096 -1.002 . . . . 0.0 110.138 -179.402 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.77 -38.27 90.47 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.169 -0.957 . . . . 0.0 110.011 -179.57 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -63.53 -39.4 94.33 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.123 -0.986 . . . . 0.0 109.316 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.92 -33.71 72.24 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.289 -0.882 . . . . 0.0 109.586 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.79 -41.78 95.57 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.221 -0.924 . . . . 0.0 109.524 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 21.5 tp -58.77 -34.69 71.71 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.079 -1.013 . . . . 0.0 108.9 179.54 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 77.0 m80 -76.74 -49.99 14.67 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.005 -1.06 . . . . 0.0 110.738 -179.648 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -67.23 -28.09 67.77 Favored 'General case' 0 C--N 1.295 -1.773 0 C-N-CA 119.018 -1.073 . . . . 0.0 111.426 -177.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 32.0 mt -77.79 -31.73 52.04 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 120.548 -1.345 . . . . 0.0 110.316 -179.515 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 5.3 tpt -103.73 -0.35 29.51 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 120.982 -1.074 . . . . 0.0 110.213 -179.433 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 51.3 m -96.62 -23.63 16.4 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.812 -1.18 . . . . 0.0 109.889 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 170.06 -78.4 0.1 OUTLIER Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.8 mtpm? -46.87 107.71 0.12 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.155 -1.203 . . . . 0.0 109.385 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 50.6 mtp180 -72.07 -15.22 62.01 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.363 -0.835 . . . . 0.0 110.266 -179.442 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 62.1 t -107.99 148.6 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.098 0 O-C-N 121.227 -0.921 . . . . 0.0 110.693 -178.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -152.11 152.88 32.9 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 179.126 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.8 m -140.96 140.17 34.36 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.019 -1.051 . . . . 0.0 110.178 -179.367 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.3 m -141.11 170.09 14.15 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -108.17 102.09 11.26 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.341 -0.85 . . . . 0.0 109.059 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.2 mtmt -109.11 122.98 48.44 Favored 'General case' 0 N--CA 1.5 2.034 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' A' ' 31' ' ' ARG . 40.9 m-20 53.06 58.43 5.32 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.187 -0.945 . . . . 0.0 109.944 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 48.27 9.29 0.07 OUTLIER Glycine 0 N--CA 1.491 2.356 0 C-N-CA 120.183 -1.008 . . . . 0.0 110.609 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.523 ' N ' ' O ' ' A' ' 29' ' ' ASP . 43.3 mtp180 -113.89 141.3 47.52 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.117 -1.225 . . . . 0.0 109.629 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -101.8 131.05 48.34 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 59.8 t -138.17 142.05 36.54 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.34 -0.85 . . . . 0.0 109.236 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -95.07 154.61 17.09 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.556 -0.715 . . . . 0.0 110.267 -179.428 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -138.61 135.08 34.57 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 179.566 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.465 ' O ' ' N ' ' A' ' 38' ' ' THR . 6.9 p -119.51 153.62 35.07 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.508 -0.745 . . . . 0.0 109.214 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.51 -17.87 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.326 -0.859 . . . . 0.0 110.762 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.465 ' N ' ' O ' ' A' ' 36' ' ' THR . 3.3 p -68.51 -23.45 64.54 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.682 -1.261 . . . . 0.0 110.27 -179.421 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.523 ' O ' ' N ' ' A' ' 41' ' ' SER . 96.7 p -113.82 16.52 18.43 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 121.172 -0.955 . . . . 0.0 110.188 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.6 p -48.22 -11.96 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 121.035 -1.041 . . . . 0.0 109.692 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.523 ' N ' ' O ' ' A' ' 39' ' ' SER . 45.3 t -83.87 -52.7 6.15 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.879 -1.138 . . . . 0.0 110.762 -179.691 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.549 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 43.5 p-10 -61.14 -24.49 66.31 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.875 -1.14 . . . . 0.0 109.829 -179.237 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.549 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 8.2 tp -74.12 -42.86 59.37 Favored 'General case' 0 N--CA 1.486 1.333 0 O-C-N 120.819 -1.176 . . . . 0.0 108.398 179.076 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.3 mttp -51.65 -36.27 45.48 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.017 -1.052 . . . . 0.0 108.705 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.6 tttm -66.98 -45.09 78.73 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.316 -0.865 . . . . 0.0 109.489 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.52 ' CZ ' HD11 ' A' ' 50' ' ' LEU . 38.8 t80 -55.7 -29.25 59.09 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.478 -0.764 . . . . 0.0 109.547 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 86.0 mt -78.95 -34.22 16.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.253 -0.904 . . . . 0.0 109.28 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.89 -37.27 64.74 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.219 -0.926 . . . . 0.0 110.083 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -68.16 -34.43 76.3 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.175 -0.953 . . . . 0.0 110.582 -179.104 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.52 HD11 ' CZ ' ' A' ' 46' ' ' TYR . 60.3 mt -71.95 -31.98 66.84 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 120.627 -1.296 . . . . 0.0 109.38 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -67.3 -29.09 68.59 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.805 -1.184 . . . . 0.0 109.461 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 69.5 t -82.03 -20.78 10.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 120.964 -1.085 . . . . 0.0 109.992 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 19.9 mm100 -92.02 -8.28 46.45 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.084 -1.01 . . . . 0.0 109.082 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -123.54 -27.02 4.1 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 -179.693 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -60.21 171.05 6.66 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.471 -1.452 . . . . 0.0 109.471 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.574 ' N ' ' SD ' ' A' ' 56' ' ' MET . 4.3 mpp? -91.54 27.41 2.0 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.946 -1.326 . . . . 0.0 109.378 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.691 HG23 ' N ' ' A' ' 58' ' ' GLN . 15.3 t -84.45 -140.37 0.07 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.244 -0.91 . . . . 0.0 109.206 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.691 ' N ' HG23 ' A' ' 57' ' ' THR . 23.2 tt0 75.56 -67.63 0.23 Allowed 'General case' 0 N--CA 1.488 1.451 0 CA-C-O 121.295 0.569 . . . . 0.0 109.496 179.383 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 53.84 48.05 22.21 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.254 -0.903 . . . . 0.0 109.366 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.573 HH11 ' CG ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -72.12 -2.06 17.21 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.216 -0.928 . . . . 0.0 109.603 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 49.86 10.85 0.05 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.265 -0.897 . . . . 0.0 109.621 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.502 ' O ' ' NE ' ' A' ' 60' ' ' ARG . . . . . . . . 0 N--CA 1.491 2.303 0 CA-C-O 117.983 -1.454 . . . . 0.0 109.603 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.1 ttt . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.414 ' C ' ' H ' ' A' ' 4' ' ' GLN . 2.5 m -144.01 84.19 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 121.2 -0.937 . . . . 0.0 109.39 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.406 ' N ' ' CD ' ' A' ' 3' ' ' ARG . 11.4 mpt_? -74.21 10.37 1.28 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.889 -1.132 . . . . 0.0 109.127 179.667 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.414 ' H ' ' C ' ' A' ' 2' ' ' VAL . 83.0 mt-30 -40.73 -33.04 0.25 Allowed 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.512 -0.743 . . . . 0.0 111.278 -179.114 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.401 ' N ' ' CD ' ' A' ' 5' ' ' GLU . 9.3 mp0 -75.8 -77.07 0.14 Allowed 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.702 -1.249 . . . . 0.0 109.777 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.416 ' OE2' ' N ' ' A' ' 7' ' ' LEU . 1.7 pp20? -49.12 -39.52 28.75 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.29 -0.881 . . . . 0.0 110.235 -179.58 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.605 HD23 ' O ' ' A' ' 7' ' ' LEU . 5.3 tt -51.56 -49.11 62.68 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.972 -1.08 . . . . 0.0 108.868 179.358 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.38 -37.12 69.65 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.465 -0.772 . . . . 0.0 110.61 -179.625 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.83 -34.3 60.11 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.885 -1.134 . . . . 0.0 111.002 -178.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.95 -49.13 77.34 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.964 -1.085 . . . . 0.0 110.501 -179.084 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 -62.73 -36.34 82.7 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 120.886 -1.134 . . . . 0.0 108.698 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.48 -30.24 60.23 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 178.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.39 -43.83 84.78 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 179.214 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.3 tp -51.9 -33.68 38.01 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.273 -0.892 . . . . 0.0 108.91 179.419 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.435 ' CE1' ' OG1' ' A' ' 19' ' ' THR . 82.5 t60 -76.47 -51.25 12.13 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.121 -0.987 . . . . 0.0 110.962 -179.289 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -65.55 -28.57 69.26 Favored 'General case' 0 C--N 1.293 -1.849 0 O-C-N 120.941 -1.099 . . . . 0.0 111.473 -177.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.485 ' O ' ' NH2' ' A' ' 22' ' ' ARG . 41.1 mt -77.92 -32.22 51.51 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 120.575 -1.328 . . . . 0.0 110.483 -179.313 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 2.2 tpt -104.99 -5.31 21.09 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 120.848 -1.158 . . . . 0.0 110.571 -179.248 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.435 ' OG1' ' CE1' ' A' ' 15' ' ' HIS . 84.6 m -91.25 -23.38 20.2 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.64 -1.287 . . . . 0.0 110.153 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.527 ' O ' ' NE ' ' A' ' 22' ' ' ARG . . . 173.87 -79.3 0.08 OUTLIER Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.833 -1.307 . . . . 0.0 109.833 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 45.1 mttm -46.97 133.45 11.18 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.239 -1.153 . . . . 0.0 109.412 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.527 ' NE ' ' O ' ' A' ' 20' ' ' GLY . 3.6 mmp_? -92.56 -15.05 27.43 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.243 -0.91 . . . . 0.0 109.896 -179.58 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.6 t -110.74 149.48 13.57 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.012 0 O-C-N 121.39 -0.819 . . . . 0.0 110.56 -179.113 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.62 152.87 33.43 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 179.139 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 22.0 p -139.33 146.42 40.26 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.146 -0.971 . . . . 0.0 110.025 -179.228 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.4 m -143.6 176.54 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 178.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -119.94 103.14 9.07 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.349 -0.845 . . . . 0.0 109.68 -179.282 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.7 mttm -104.06 109.96 21.95 Favored 'General case' 0 N--CA 1.501 2.097 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 179.386 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.437 ' C ' ' H ' ' A' ' 31' ' ' ARG . 5.1 m-20 52.3 53.52 12.25 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.217 -0.927 . . . . 0.0 110.253 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 63.95 -8.22 0.42 Allowed Glycine 0 N--CA 1.493 2.459 0 O-C-N 120.967 -1.083 . . . . 0.0 111.0 179.061 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.437 ' H ' ' C ' ' A' ' 29' ' ' ASP . 51.5 mtp180 -88.01 130.59 34.92 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 120.486 -1.597 . . . . 0.0 109.878 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.5 tpp180 -97.08 127.18 42.8 Favored 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 179.48 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 35.5 t -139.01 141.7 35.78 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 O-C-N 121.077 -1.015 . . . . 0.0 109.399 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.536 ' H ' ' CD ' ' A' ' 34' ' ' GLU . 4.2 mp0 -98.53 157.33 16.3 Favored 'General case' 0 N--CA 1.497 1.924 0 CA-C-O 121.632 0.729 . . . . 0.0 110.294 -179.271 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -140.68 134.82 30.93 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 179.576 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.461 ' O ' ' N ' ' A' ' 38' ' ' THR . 6.9 p -120.09 153.46 36.08 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.582 -0.699 . . . . 0.0 109.121 179.662 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.63 -17.84 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.251 -0.906 . . . . 0.0 110.665 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 36' ' ' THR . 3.0 p -68.13 -23.39 64.89 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.73 -1.231 . . . . 0.0 110.078 -179.398 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.523 ' O ' ' N ' ' A' ' 41' ' ' SER . 96.5 p -114.11 16.79 18.05 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.166 -0.959 . . . . 0.0 110.262 -179.718 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.2 p -49.03 -10.9 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 120.897 -1.127 . . . . 0.0 109.537 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.523 ' N ' ' O ' ' A' ' 39' ' ' SER . 47.7 t -83.85 -52.44 6.37 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.042 -1.036 . . . . 0.0 110.635 -179.663 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.552 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 41.9 p-10 -61.95 -26.54 68.26 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.795 -1.19 . . . . 0.0 109.971 -179.118 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.552 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 6.9 tp -73.75 -39.57 64.13 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 120.771 -1.206 . . . . 0.0 107.95 178.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -52.18 -36.35 51.51 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.479 -0.763 . . . . 0.0 108.954 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -75.5 -30.78 59.95 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.23 -0.919 . . . . 0.0 110.377 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.472 ' CZ ' HD11 ' A' ' 50' ' ' LEU . 36.0 t80 -65.16 -30.5 71.42 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.062 -1.024 . . . . 0.0 109.968 -179.407 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 97.3 mt -80.47 -32.71 13.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 121.056 -1.028 . . . . 0.0 108.903 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.18 -42.02 60.54 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.325 -0.86 . . . . 0.0 109.912 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -64.48 -34.94 79.38 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.197 -0.939 . . . . 0.0 110.484 -179.081 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.472 HD11 ' CZ ' ' A' ' 46' ' ' TYR . 55.1 mt -71.39 -32.51 68.52 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.71 -1.244 . . . . 0.0 109.492 -179.81 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -64.73 -29.4 70.38 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.807 -1.183 . . . . 0.0 109.059 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 70.4 t -82.65 -20.32 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.153 -0.967 . . . . 0.0 110.331 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 -92.01 -9.37 43.11 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.752 -1.217 . . . . 0.0 109.261 -179.389 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -124.88 -40.83 2.15 Favored 'General case' 0 N--CA 1.494 1.737 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -93.64 -172.84 39.63 Favored Glycine 0 N--CA 1.495 2.589 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.451 ' O ' ' O ' ' A' ' 57' ' ' THR . 10.3 ttt -153.27 45.79 0.66 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.951 -1.323 . . . . 0.0 109.182 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.451 ' O ' ' O ' ' A' ' 56' ' ' MET . 0.4 OUTLIER 56.46 161.3 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.669 -0.644 . . . . 0.0 109.592 179.843 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -172.73 92.45 0.11 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.357 -0.84 . . . . 0.0 109.46 179.541 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -169.57 155.89 6.31 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.156 -0.965 . . . . 0.0 109.573 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 63.1 ttt180 -168.93 -22.78 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.291 -0.881 . . . . 0.0 109.461 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -60.31 -17.92 46.03 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.255 -0.903 . . . . 0.0 109.474 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.316 0 CA-C-O 117.962 -1.466 . . . . 0.0 109.526 -179.994 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.452 ' O ' ' N ' ' A' ' 3' ' ' ARG . 55.1 mtt . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.499 ' C ' ' H ' ' A' ' 4' ' ' GLN . 2.6 m -58.99 86.37 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.252 -0.905 . . . . 0.0 109.401 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 1' ' ' MET . 14.3 tpt180 -73.42 36.81 0.09 Allowed 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.699 -1.25 . . . . 0.0 109.096 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.499 ' H ' ' C ' ' A' ' 2' ' ' VAL . 26.1 mm100 -69.28 -60.28 2.44 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.462 -0.774 . . . . 0.0 112.018 -178.526 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.575 ' H ' ' CD ' ' A' ' 5' ' ' GLU . 12.3 mp0 -56.86 -48.03 79.05 Favored 'General case' 0 N--CA 1.505 2.294 0 O-C-N 120.964 -1.085 . . . . 0.0 111.619 -178.221 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -69.33 -40.41 77.6 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.699 -1.251 . . . . 0.0 109.888 -178.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.5 tp -51.22 -52.33 45.54 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.035 -1.041 . . . . 0.0 108.569 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.66 -40.92 63.33 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.397 -0.814 . . . . 0.0 109.821 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.64 -33.67 75.5 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.306 -0.871 . . . . 0.0 110.028 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.36 -41.62 76.31 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.056 -1.028 . . . . 0.0 110.067 -179.53 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 56.4 mtp180 -61.69 -35.76 78.93 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.058 -1.026 . . . . 0.0 109.004 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.4 ' O ' ' OD2' ' A' ' 16' ' ' ASP . . . -64.13 -33.5 75.91 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.526 -0.734 . . . . 0.0 109.5 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.65 -35.98 82.78 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.162 -0.961 . . . . 0.0 109.27 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.6 tp -65.04 -36.0 82.96 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.132 -0.98 . . . . 0.0 108.862 179.446 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.438 ' O ' ' OG1' ' A' ' 19' ' ' THR . 80.9 m80 -76.86 -48.7 17.61 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.966 -1.084 . . . . 0.0 110.596 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.4 ' OD2' ' O ' ' A' ' 12' ' ' ALA . 23.0 m-20 -66.48 -29.02 69.05 Favored 'General case' 0 C--N 1.292 -1.898 0 O-C-N 121.118 -0.989 . . . . 0.0 111.472 -177.759 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 35.3 mt -78.52 -32.27 47.94 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 120.582 -1.324 . . . . 0.0 110.415 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 6.5 tpt -103.85 -0.12 29.56 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.036 -1.04 . . . . 0.0 110.371 -178.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.438 ' OG1' ' O ' ' A' ' 15' ' ' HIS . 27.9 m -92.86 -23.82 18.68 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.838 -1.164 . . . . 0.0 109.709 179.637 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 175.94 -81.65 0.07 OUTLIER Glycine 0 N--CA 1.49 2.256 0 C-N-CA 119.558 -1.306 . . . . 0.0 110.117 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.1 mttp -49.97 137.68 16.6 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.254 -1.145 . . . . 0.0 109.206 -179.553 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 63.4 mtm180 -93.19 -14.65 26.86 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.377 -0.827 . . . . 0.0 110.268 -179.56 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 41.6 t -107.47 149.7 10.65 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.178 0 O-C-N 121.185 -0.947 . . . . 0.0 111.136 -178.592 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.7 153.05 33.61 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 178.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.6 p -136.61 144.05 43.89 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.12 -0.987 . . . . 0.0 110.314 -179.161 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.2 m -147.05 158.11 9.97 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 178.39 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -83.96 129.63 34.92 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.083 -1.011 . . . . 0.0 109.543 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -135.1 105.42 6.33 Favored 'General case' 0 N--CA 1.503 2.203 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.452 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.504 ' C ' ' H ' ' A' ' 31' ' ' ARG . 45.5 t0 53.13 58.18 5.55 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.219 -0.925 . . . . 0.0 110.027 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 55.36 0.17 0.11 Allowed Glycine 0 N--CA 1.492 2.39 0 N-CA-C 110.672 -0.971 . . . . 0.0 110.672 179.361 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.504 ' H ' ' C ' ' A' ' 29' ' ' ASP . 89.3 mtt180 -109.45 130.18 55.51 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.953 -1.322 . . . . 0.0 109.657 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.9 mtt180 -89.32 132.74 34.79 Favored 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 179.188 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 64.9 t -132.7 145.93 33.58 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 179.433 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -103.09 155.67 18.23 Favored 'General case' 0 N--CA 1.499 1.976 0 CA-C-O 121.585 0.707 . . . . 0.0 110.523 -178.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -137.91 135.21 35.88 Favored 'General case' 0 N--CA 1.496 1.825 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 179.372 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 38' ' ' THR . 7.7 p -118.87 153.93 33.74 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.506 -0.746 . . . . 0.0 109.443 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.69 -18.75 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.38 -0.825 . . . . 0.0 110.78 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 36' ' ' THR . 6.7 m -71.05 -22.4 62.13 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.714 -1.241 . . . . 0.0 110.626 -179.175 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.401 ' C ' ' N ' ' A' ' 41' ' ' SER . 86.9 p -114.37 17.71 17.33 Favored 'General case' 0 N--CA 1.505 2.283 0 O-C-N 121.177 -0.952 . . . . 0.0 109.911 -179.658 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.1 p -51.42 -12.0 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 121.346 -0.847 . . . . 0.0 110.04 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.401 ' N ' ' C ' ' A' ' 39' ' ' SER . 48.7 m -83.76 -52.88 6.03 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.766 -1.208 . . . . 0.0 110.827 -179.634 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' A' ' 42' ' ' ASP . 0.0 OUTLIER -59.28 -23.31 62.29 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.834 -1.166 . . . . 0.0 109.174 -179.306 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.1 tp -75.19 -40.79 59.02 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 120.793 -1.192 . . . . 0.0 108.001 178.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.2 mttm -51.39 -36.53 43.89 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.185 -0.947 . . . . 0.0 108.825 179.523 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -69.62 -45.39 68.64 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.122 -0.986 . . . . 0.0 109.652 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.534 ' CZ ' HD11 ' A' ' 50' ' ' LEU . 46.7 t80 -53.83 -28.66 36.94 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.359 -0.838 . . . . 0.0 109.565 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 91.4 mt -78.22 -33.19 17.54 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.243 -0.911 . . . . 0.0 109.161 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.92 -41.9 61.42 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.262 -0.899 . . . . 0.0 109.992 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -64.19 -33.7 76.39 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.212 -0.93 . . . . 0.0 110.588 -178.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.534 HD11 ' CZ ' ' A' ' 46' ' ' TYR . 59.3 mt -72.89 -32.55 65.45 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 120.703 -1.248 . . . . 0.0 109.477 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -63.83 -29.49 70.68 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.728 -1.233 . . . . 0.0 108.833 179.457 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 77.1 t -82.81 -20.5 9.62 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.147 -0.97 . . . . 0.0 109.738 179.707 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -92.47 -8.37 44.84 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.061 -1.024 . . . . 0.0 109.587 -179.439 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 56' ' ' MET . 0.6 OUTLIER -120.04 -14.68 8.85 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 -179.442 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -50.66 -11.82 0.56 Allowed Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.354 -1.498 . . . . 0.0 109.354 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.464 ' N ' ' O ' ' A' ' 54' ' ' THR . 9.9 ttt 48.98 59.36 4.49 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.28 -1.129 . . . . 0.0 109.47 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.3 t -91.57 -161.44 0.82 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.217 -0.927 . . . . 0.0 109.19 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -172.96 100.41 0.13 Allowed 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.56 -0.713 . . . . 0.0 109.486 178.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.435 ' O ' ' O ' ' A' ' 60' ' ' ARG . 7.2 tpt180 64.1 168.14 0.16 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.256 -0.902 . . . . 0.0 109.196 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.435 ' O ' ' O ' ' A' ' 59' ' ' ARG . 36.8 mtt180 -49.04 176.45 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.213 -0.929 . . . . 0.0 109.579 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.583 HH11 ' CG ' ' A' ' 61' ' ' ARG . 3.7 mtt-85 -63.4 -44.24 95.24 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.192 -0.943 . . . . 0.0 109.454 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.3 0 CA-C-O 117.997 -1.446 . . . . 0.0 109.583 179.954 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.8 mmt . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.515 ' C ' ' H ' ' A' ' 4' ' ' GLN . 1.6 m -143.63 100.12 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.238 -0.914 . . . . 0.0 109.282 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.451 ' N ' ' CD ' ' A' ' 3' ' ' ARG . 10.6 mpt_? -70.15 13.4 0.16 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.788 -1.195 . . . . 0.0 109.374 179.773 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.515 ' H ' ' C ' ' A' ' 2' ' ' VAL . 82.7 mt-30 -43.21 -37.24 2.04 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.387 -0.821 . . . . 0.0 111.08 -179.469 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -76.51 -75.29 0.2 Allowed 'General case' 0 N--CA 1.501 2.084 0 O-C-N 120.728 -1.233 . . . . 0.0 109.896 -179.167 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.632 ' H ' ' CD ' ' A' ' 6' ' ' GLU . 2.0 pm0 -47.47 -33.09 5.79 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.115 -0.99 . . . . 0.0 109.679 -179.197 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 14.0 tp -55.95 -54.56 43.26 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.159 -0.963 . . . . 0.0 108.692 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.97 -33.59 38.51 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.47 -0.769 . . . . 0.0 110.235 -179.441 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.5 -34.96 76.81 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.119 -0.988 . . . . 0.0 110.078 -179.491 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.88 -39.68 79.64 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.122 -0.986 . . . . 0.0 109.954 -179.638 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -63.07 -35.03 78.88 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.157 -0.964 . . . . 0.0 109.101 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.69 -35.04 79.74 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.423 -0.798 . . . . 0.0 109.654 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.35 -38.52 91.46 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.053 -1.03 . . . . 0.0 109.423 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.0 tp -65.1 -34.75 79.16 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.096 -1.002 . . . . 0.0 108.806 179.425 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 15.2 t-80 -76.21 -38.73 56.07 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.197 -0.94 . . . . 0.0 110.451 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -77.26 -35.19 55.48 Favored 'General case' 0 C--N 1.296 -1.739 0 O-C-N 120.962 -1.087 . . . . 0.0 111.38 -178.132 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 53.8 mt -72.98 -29.41 63.03 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 120.724 -1.235 . . . . 0.0 110.702 -179.064 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.459 ' O ' ' CG ' ' A' ' 18' ' ' MET . 19.6 ttm -102.32 0.87 34.87 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 120.96 -1.087 . . . . 0.0 110.571 -178.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.5 m -94.47 -23.96 17.51 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.904 -1.123 . . . . 0.0 109.492 179.502 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 172.62 -79.42 0.08 OUTLIER Glycine 0 N--CA 1.491 2.341 0 C-N-CA 119.512 -1.327 . . . . 0.0 110.255 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.1 mtpt -47.21 137.82 7.67 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.161 -1.2 . . . . 0.0 109.468 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.03 -15.49 26.1 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.363 -0.835 . . . . 0.0 110.02 -179.538 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.2 p -109.0 148.89 12.52 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.203 0 CA-C-O 121.872 0.844 . . . . 0.0 111.495 -177.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.92 153.45 34.14 Favored 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 179.14 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.5 m -138.46 144.45 40.09 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.096 -1.002 . . . . 0.0 110.14 -179.145 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.7 m -145.38 168.47 8.33 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 121.196 -0.94 . . . . 0.0 108.88 178.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -102.0 120.01 39.72 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.334 -0.854 . . . . 0.0 108.974 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.1 mtmt -133.08 119.46 20.03 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.474 -0.766 . . . . 0.0 109.26 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.525 ' O ' ' N ' ' A' ' 31' ' ' ARG . 0.6 OUTLIER 53.08 56.94 6.83 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.337 -0.852 . . . . 0.0 110.084 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 48.73 8.64 0.07 OUTLIER Glycine 0 N--CA 1.493 2.474 0 N-CA-C 110.307 -1.117 . . . . 0.0 110.307 179.5 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.525 ' N ' ' O ' ' A' ' 29' ' ' ASP . 57.4 ttt180 -116.21 138.63 51.12 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.154 -1.203 . . . . 0.0 109.774 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -99.54 134.16 42.81 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.636 -0.665 . . . . 0.0 109.322 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 57.8 t -137.75 142.61 35.82 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.066 0 O-C-N 121.294 -0.879 . . . . 0.0 109.179 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -98.12 154.84 17.46 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.529 -0.732 . . . . 0.0 110.081 -179.646 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -136.27 136.02 39.47 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 179.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 38' ' ' THR . 8.3 p -118.16 152.73 35.08 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.587 -0.695 . . . . 0.0 109.225 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.96 -18.0 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.4 -0.813 . . . . 0.0 110.64 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 36' ' ' THR . 3.8 p -70.19 -23.65 62.99 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.668 -1.27 . . . . 0.0 110.352 -179.179 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.506 ' O ' ' N ' ' A' ' 41' ' ' SER . 94.2 p -112.32 16.12 20.1 Favored 'General case' 0 N--CA 1.503 2.214 0 O-C-N 121.181 -0.949 . . . . 0.0 109.872 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.0 p -48.95 -11.66 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.127 -0.983 . . . . 0.0 109.638 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.506 ' N ' ' O ' ' A' ' 39' ' ' SER . 47.7 t -84.45 -52.86 5.84 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.926 -1.109 . . . . 0.0 110.625 -179.728 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.556 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 46.2 p-10 -59.88 -24.71 64.49 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.87 -1.144 . . . . 0.0 109.639 -179.286 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.556 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 7.4 tp -74.64 -42.39 58.64 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.949 -1.095 . . . . 0.0 108.452 179.077 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.1 mttp -51.55 -34.44 36.65 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.061 -1.024 . . . . 0.0 108.926 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.6 ttpm? -70.61 -44.16 67.84 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.118 -0.989 . . . . 0.0 109.555 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.582 ' CZ ' HD11 ' A' ' 50' ' ' LEU . 32.0 t80 -55.16 -27.54 46.41 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.322 -0.861 . . . . 0.0 109.468 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 89.0 mt -79.37 -32.54 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.156 -0.965 . . . . 0.0 108.831 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.18 -48.21 37.19 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.378 -0.826 . . . . 0.0 110.275 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -58.87 -42.43 89.44 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.093 -1.004 . . . . 0.0 110.295 -179.107 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.582 HD11 ' CZ ' ' A' ' 46' ' ' TYR . 41.6 mt -62.58 -32.37 73.34 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 120.723 -1.236 . . . . 0.0 109.254 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -64.14 -29.99 71.08 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.805 -1.184 . . . . 0.0 109.467 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 71.5 t -82.91 -20.79 9.37 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 O-C-N 120.907 -1.121 . . . . 0.0 110.068 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 48.0 mm-40 -92.47 -8.42 44.7 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.887 -1.133 . . . . 0.0 109.474 -179.454 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -118.93 -22.56 7.26 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 -179.645 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -63.98 -31.79 82.0 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.345 -1.502 . . . . 0.0 109.345 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.438 ' O ' ' O ' ' A' ' 57' ' ' THR . 46.1 mtp 51.53 17.47 0.56 Allowed 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.232 -1.158 . . . . 0.0 109.062 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.438 ' O ' ' O ' ' A' ' 56' ' ' MET . 0.4 OUTLIER 58.43 158.17 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.462 -0.774 . . . . 0.0 109.299 179.904 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.409 ' H ' ' H ' ' A' ' 59' ' ' ARG . 22.3 tt0 -172.01 -11.3 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.325 -0.859 . . . . 0.0 109.317 179.488 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.57 HH11 ' CG ' ' A' ' 59' ' ' ARG . 0.3 OUTLIER -152.94 98.9 2.36 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.319 -0.863 . . . . 0.0 109.399 -179.867 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 55.0 ttt180 -162.03 50.77 0.21 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.4 -0.813 . . . . 0.0 109.328 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.583 HH11 ' CG ' ' A' ' 61' ' ' ARG . 3.5 mtt-85 -78.67 -50.47 11.39 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.21 -0.931 . . . . 0.0 109.49 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.239 0 CA-C-O 118.054 -1.415 . . . . 0.0 109.574 179.964 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.497 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.6 mpt? . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.499 ' C ' ' H ' ' A' ' 4' ' ' GLN . 2.3 m -144.08 88.0 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 121.174 -0.954 . . . . 0.0 109.601 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -73.26 16.59 0.17 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.887 -1.133 . . . . 0.0 108.867 179.466 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.499 ' H ' ' C ' ' A' ' 2' ' ' VAL . 91.4 mt-30 -43.62 -34.08 1.35 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.426 -0.796 . . . . 0.0 111.316 -179.418 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -77.5 -76.09 0.19 Allowed 'General case' 0 N--CA 1.502 2.139 0 O-C-N 120.67 -1.269 . . . . 0.0 109.949 -179.225 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -47.15 -33.16 4.9 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.177 -0.952 . . . . 0.0 110.035 -179.093 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.9 tp -58.15 -54.6 45.12 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.163 -0.961 . . . . 0.0 108.995 179.583 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.49 -33.84 46.68 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.408 -0.807 . . . . 0.0 110.334 -179.278 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.75 -35.53 77.22 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.058 -1.026 . . . . 0.0 110.146 -179.334 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.68 -40.4 84.4 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.119 -0.988 . . . . 0.0 109.885 -179.615 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 66.9 mtm180 -60.92 -35.76 77.55 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.192 -0.942 . . . . 0.0 109.236 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.86 -39.29 93.98 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.403 -0.811 . . . . 0.0 109.621 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.75 -39.77 81.92 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.127 -0.983 . . . . 0.0 109.333 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.9 tp -61.49 -33.76 74.33 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.033 -1.042 . . . . 0.0 108.675 179.395 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -76.61 -40.9 48.02 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.269 -0.894 . . . . 0.0 110.775 -179.653 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -76.47 -31.08 57.57 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 120.947 -1.096 . . . . 0.0 111.471 -178.105 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 75.3 mt -77.65 -28.34 51.26 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 120.612 -1.305 . . . . 0.0 110.852 -178.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.437 ' O ' ' CG ' ' A' ' 18' ' ' MET . 21.3 ttm -102.7 0.06 32.47 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 120.841 -1.162 . . . . 0.0 110.516 -179.27 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.2 m -96.94 -23.28 16.39 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.051 -1.031 . . . . 0.0 109.698 179.548 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 166.71 -73.2 0.16 Allowed Glycine 0 N--CA 1.492 2.386 0 C-N-CA 119.614 -1.279 . . . . 0.0 109.98 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.4 mmmt -44.93 129.88 7.34 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.304 -1.115 . . . . 0.0 109.226 -179.511 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.558 ' CG ' HH11 ' A' ' 22' ' ' ARG . 0.2 OUTLIER -92.92 -14.85 27.05 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.253 -0.905 . . . . 0.0 110.26 -179.289 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 98.1 t -113.01 147.98 16.28 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.155 0 O-C-N 121.262 -0.899 . . . . 0.0 110.487 -178.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.32 152.06 32.64 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 179.306 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.5 p -122.39 156.01 34.86 Favored 'General case' 0 N--CA 1.503 2.224 0 O-C-N 121.406 -0.809 . . . . 0.0 109.846 -179.494 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.9 t -143.83 135.23 22.45 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.257 -0.902 . . . . 0.0 108.933 179.099 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.435 ' CD ' ' N ' ' A' ' 27' ' ' GLN . 23.7 mp0 -84.12 103.16 13.1 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.227 -0.921 . . . . 0.0 109.208 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.5 mtmm -132.81 131.16 40.76 Favored 'General case' 0 N--CA 1.5 2.055 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.535 ' O ' ' N ' ' A' ' 31' ' ' ARG . 3.4 m-20 52.58 54.65 10.26 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.319 -0.863 . . . . 0.0 110.049 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 46.28 12.91 0.06 OUTLIER Glycine 0 N--CA 1.492 2.429 0 N-CA-C 110.251 -1.14 . . . . 0.0 110.251 179.47 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.565 ' CG ' HH11 ' A' ' 31' ' ' ARG . 0.0 OUTLIER -124.87 149.85 47.09 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.232 -1.158 . . . . 0.0 109.739 -179.704 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 70.9 mtm180 -103.46 134.91 46.03 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.594 -0.691 . . . . 0.0 109.188 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 53.6 t -122.32 148.39 25.99 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.238 0 O-C-N 121.377 -0.827 . . . . 0.0 109.023 179.48 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -106.48 152.61 23.43 Favored 'General case' 0 N--CA 1.499 2.002 0 CA-C-O 121.799 0.809 . . . . 0.0 110.647 -178.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -140.53 135.78 32.22 Favored 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.064 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 38' ' ' THR . 5.9 p -118.71 153.44 34.38 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.528 -0.733 . . . . 0.0 109.226 179.781 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.27 -18.01 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.324 -0.86 . . . . 0.0 110.761 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.463 ' N ' ' O ' ' A' ' 36' ' ' THR . 3.4 p -69.54 -23.49 63.58 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.727 -1.233 . . . . 0.0 110.194 -179.331 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.439 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 91.3 p -112.71 16.74 19.53 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.212 -0.93 . . . . 0.0 110.099 -179.572 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.0 p -50.54 -12.77 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 121.002 -1.061 . . . . 0.0 109.638 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 39' ' ' SER . 44.8 t -85.28 -52.89 5.58 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.918 -1.114 . . . . 0.0 110.581 -179.809 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.544 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 28.0 p-10 -60.08 -23.8 64.09 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.884 -1.135 . . . . 0.0 109.43 -179.389 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.544 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 8.9 tp -74.28 -42.18 60.01 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 120.941 -1.099 . . . . 0.0 108.113 179.027 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 38.5 mttm -51.52 -36.49 44.99 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.11 -0.994 . . . . 0.0 108.897 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -70.99 -45.75 63.47 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.108 -0.995 . . . . 0.0 109.91 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -53.82 -29.19 39.62 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.245 -0.909 . . . . 0.0 109.263 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 86.7 mt -78.87 -32.75 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.234 -0.916 . . . . 0.0 108.923 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.9 -38.67 64.28 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.336 -0.853 . . . . 0.0 109.915 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -66.82 -34.77 78.55 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.194 -0.941 . . . . 0.0 110.491 -179.112 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 50' ' ' LEU . 47.7 mt -71.61 -32.11 67.65 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 120.718 -1.239 . . . . 0.0 109.427 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -66.35 -29.33 69.49 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.825 -1.172 . . . . 0.0 109.279 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 70.5 t -82.03 -20.88 10.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.003 -1.061 . . . . 0.0 109.825 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -91.49 -8.53 47.4 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.984 -1.072 . . . . 0.0 108.852 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -123.86 -40.33 2.32 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 -179.642 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -80.75 -168.03 38.35 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.603 ' N ' ' SD ' ' A' ' 56' ' ' MET . 0.0 OUTLIER -157.27 27.65 0.3 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.929 -1.336 . . . . 0.0 109.407 179.883 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.43 ' O ' ' O ' ' A' ' 56' ' ' MET . 0.4 OUTLIER 59.14 153.54 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.619 -0.675 . . . . 0.0 109.587 179.752 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 60.2 tp60 -172.19 -30.34 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.398 -0.814 . . . . 0.0 109.288 179.292 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -56.95 150.8 15.99 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.249 -0.907 . . . . 0.0 109.454 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 -174.22 -22.85 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.346 -0.846 . . . . 0.0 109.337 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 41.8 mtp180 -69.82 -158.09 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.287 -0.883 . . . . 0.0 109.441 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.302 0 CA-C-O 117.963 -1.465 . . . . 0.0 109.536 179.929 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.466 ' CD ' ' N ' ' A' ' 5' ' ' GLU . 17.3 mp0 . . . . . 0 N--CA 1.499 2.016 0 CA-C-O 121.169 0.509 . . . . 0.0 110.345 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -47.3 -33.19 5.38 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.062 -1.024 . . . . 0.0 109.868 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.9 tp -56.12 -54.55 43.71 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.08 -1.012 . . . . 0.0 108.892 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.409 ' HA ' ' HE ' ' A' ' 11' ' ' ARG . . . -53.49 -31.15 44.67 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.469 -0.769 . . . . 0.0 110.252 -179.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.88 -37.77 73.05 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.095 -1.003 . . . . 0.0 110.163 -179.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.54 -41.85 92.58 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.092 -1.005 . . . . 0.0 109.858 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.409 ' HE ' ' HA ' ' A' ' 8' ' ' ALA . 72.0 mtm180 -58.76 -38.08 77.68 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.158 -0.964 . . . . 0.0 109.153 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.2 -39.74 87.6 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.416 -0.802 . . . . 0.0 109.615 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.23 -39.85 80.17 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.179 -0.951 . . . . 0.0 109.38 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 24.6 tp -61.14 -33.43 73.39 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.103 -0.998 . . . . 0.0 108.86 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.402 ' O ' ' OG1' ' A' ' 19' ' ' THR . 60.3 t-80 -75.68 -41.15 54.57 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.281 -0.887 . . . . 0.0 110.831 -179.431 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -76.27 -37.65 57.28 Favored 'General case' 0 C--N 1.297 -1.688 0 O-C-N 120.825 -1.172 . . . . 0.0 111.459 -178.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 72.5 mt -69.82 -29.11 66.31 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.672 -1.267 . . . . 0.0 110.908 -178.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.432 ' O ' ' CG ' ' A' ' 18' ' ' MET . 21.4 ttm -102.36 0.26 33.78 Favored 'General case' 0 N--CA 1.502 2.133 0 O-C-N 120.863 -1.148 . . . . 0.0 110.497 -179.177 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 15' ' ' HIS . 15.8 m -96.83 -23.19 16.49 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.063 -1.023 . . . . 0.0 109.596 179.577 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 165.67 -71.26 0.18 Allowed Glycine 0 N--CA 1.491 2.361 0 C-N-CA 119.562 -1.304 . . . . 0.0 110.083 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 42.3 mttp -45.69 130.39 9.12 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.264 -1.139 . . . . 0.0 109.672 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -92.48 -15.11 27.51 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.317 -0.864 . . . . 0.0 110.06 -179.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.4 p -111.57 145.34 17.89 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.289 0 O-C-N 121.485 -0.759 . . . . 0.0 110.55 -179.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.93 132.34 13.77 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 179.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.7 p -107.83 156.01 19.62 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.339 -0.85 . . . . 0.0 109.764 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.5 t . . . . . 0 N--CA 1.499 2.014 0 O-C-N 121.27 -0.894 . . . . 0.0 108.8 178.876 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.477 ' CD ' ' N ' ' A' ' 34' ' ' GLU . 3.1 mp0 . . . . . 0 N--CA 1.497 1.919 0 CA-C-O 121.793 0.806 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -141.21 136.32 31.63 Favored 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 38' ' ' THR . 9.3 p -117.87 153.03 34.22 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.461 -0.775 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.81 -18.75 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.412 -0.805 . . . . 0.0 110.604 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 36' ' ' THR . 6.4 m -69.51 -23.79 63.66 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 120.715 -1.24 . . . . 0.0 110.346 -179.341 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 41' ' ' SER . 88.4 p -111.25 16.24 21.06 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.207 -0.933 . . . . 0.0 110.053 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.7 p -50.64 -12.45 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.06 -1.025 . . . . 0.0 109.353 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 39' ' ' SER . 90.1 p -84.99 -52.85 5.69 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.958 -1.089 . . . . 0.0 110.608 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.542 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 28.6 p-10 -60.69 -23.82 65.15 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.852 -1.155 . . . . 0.0 109.437 -179.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.542 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 7.8 tp -74.0 -41.56 61.7 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 120.889 -1.132 . . . . 0.0 107.969 178.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 41.3 mttm -51.37 -37.16 46.67 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.109 -0.994 . . . . 0.0 108.798 179.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.4 ttmm -70.31 -45.86 65.41 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.159 -0.963 . . . . 0.0 109.809 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -53.09 -28.84 27.18 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.328 -0.858 . . . . 0.0 109.33 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 88.7 mt -79.51 -33.47 15.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.236 -0.915 . . . . 0.0 109.11 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.17 -37.04 64.1 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.306 -0.871 . . . . 0.0 109.949 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -68.37 -33.86 75.02 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.156 -0.965 . . . . 0.0 110.325 -179.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 50' ' ' LEU . 48.7 mt -72.07 -32.27 66.9 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 120.719 -1.238 . . . . 0.0 109.232 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -66.54 -29.42 69.5 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.838 -1.164 . . . . 0.0 109.23 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 71.2 t -82.37 -20.47 10.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.054 -1.029 . . . . 0.0 109.662 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -92.01 -8.13 46.93 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.124 -0.985 . . . . 0.0 109.232 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.496 1.847 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 . . . . . 0 N--CA 1.5 2.056 0 CA-C-O 121.17 0.509 . . . . 0.0 109.772 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -46.98 -32.56 3.98 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.095 -1.003 . . . . 0.0 109.845 -179.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 14.0 tp -57.43 -54.55 45.56 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.101 -0.999 . . . . 0.0 108.866 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.19 -30.56 38.17 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.309 -0.869 . . . . 0.0 110.16 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.47 -35.65 70.91 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.157 -0.964 . . . . 0.0 110.107 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.84 -40.52 83.69 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.115 -0.991 . . . . 0.0 109.888 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.54 -35.08 76.74 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.098 -1.001 . . . . 0.0 109.069 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.12 -39.18 93.49 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.491 -0.756 . . . . 0.0 109.523 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.92 -39.45 78.02 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.159 -0.963 . . . . 0.0 109.191 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.7 tp -64.41 -33.53 76.07 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.129 -0.982 . . . . 0.0 108.738 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.429 ' O ' ' OG1' ' A' ' 19' ' ' THR . 83.0 t60 -75.86 -41.7 51.59 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.3 -0.875 . . . . 0.0 110.703 -179.448 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -75.92 -37.5 58.68 Favored 'General case' 0 C--N 1.296 -1.749 0 O-C-N 120.915 -1.115 . . . . 0.0 111.339 -178.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 51.4 mt -69.21 -29.7 67.72 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.765 -1.209 . . . . 0.0 110.732 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.451 ' O ' ' CG ' ' A' ' 18' ' ' MET . 21.3 ttm -103.0 0.12 31.67 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 120.98 -1.075 . . . . 0.0 110.83 -178.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.429 ' OG1' ' O ' ' A' ' 15' ' ' HIS . 18.4 m -97.61 -23.2 16.09 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.967 -1.083 . . . . 0.0 109.716 179.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 170.35 -72.8 0.12 Allowed Glycine 0 N--CA 1.492 2.403 0 C-N-CA 119.482 -1.342 . . . . 0.0 109.983 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -46.0 132.19 9.48 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.177 -1.19 . . . . 0.0 109.581 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.7 ptt180 -93.22 -14.63 26.84 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.297 -0.877 . . . . 0.0 110.125 -179.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 p -115.93 148.76 18.44 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.212 0 CA-C-O 121.79 0.805 . . . . 0.0 110.997 -178.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.22 152.83 33.83 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.6 m -139.83 144.93 37.55 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.144 -0.973 . . . . 0.0 109.981 -179.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.2 m . . . . . 0 N--CA 1.497 1.912 0 O-C-N 121.227 -0.921 . . . . 0.0 108.982 179.056 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 . . . . . 0 N--CA 1.496 1.859 0 CA-C-O 121.458 0.647 . . . . 0.0 109.969 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -136.81 135.92 38.38 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 38' ' ' THR . 8.1 p -118.49 152.69 35.47 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.591 -0.693 . . . . 0.0 109.172 179.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.85 -18.63 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.359 -0.838 . . . . 0.0 110.723 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 36' ' ' THR . 6.4 m -69.96 -23.31 63.15 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.721 -1.237 . . . . 0.0 110.597 -179.167 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.502 ' O ' ' N ' ' A' ' 41' ' ' SER . 98.7 p -113.05 16.21 19.36 Favored 'General case' 0 N--CA 1.505 2.292 0 O-C-N 121.147 -0.97 . . . . 0.0 109.96 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.5 p -48.61 -12.11 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.082 -1.011 . . . . 0.0 109.694 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.502 ' N ' ' O ' ' A' ' 39' ' ' SER . 91.5 p -84.14 -52.76 6.01 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.931 -1.106 . . . . 0.0 110.635 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.561 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 52.3 p-10 -59.16 -24.26 62.89 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.864 -1.147 . . . . 0.0 109.496 -179.241 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.561 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 7.9 tp -74.4 -41.29 61.19 Favored 'General case' 0 N--CA 1.486 1.327 0 O-C-N 120.86 -1.15 . . . . 0.0 108.137 178.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.3 mttm -51.53 -35.8 42.19 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.13 -0.981 . . . . 0.0 108.822 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -71.35 -45.61 62.5 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.154 -0.966 . . . . 0.0 109.683 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -53.47 -28.95 33.31 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.193 -0.942 . . . . 0.0 109.376 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 84.8 mt -78.05 -32.76 17.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.223 -0.923 . . . . 0.0 109.132 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.89 -38.37 64.4 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.293 -0.879 . . . . 0.0 110.008 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -67.27 -33.95 76.4 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.204 -0.935 . . . . 0.0 110.531 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 50' ' ' LEU . 49.8 mt -72.16 -32.06 66.51 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 120.678 -1.264 . . . . 0.0 109.365 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -66.83 -29.07 68.89 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.847 -1.158 . . . . 0.0 109.268 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 70.3 t -82.09 -20.65 10.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.025 -1.047 . . . . 0.0 109.958 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -91.12 -9.23 46.35 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.955 -1.09 . . . . 0.0 108.973 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.494 1.749 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.404 ' CD ' ' N ' ' A' ' 5' ' ' GLU . 15.1 mp0 . . . . . 0 N--CA 1.5 2.034 0 CA-C-O 121.232 0.539 . . . . 0.0 110.283 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.639 ' CD ' ' H ' ' A' ' 6' ' ' GLU . 2.0 pm0 -47.49 -35.48 8.83 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.154 -0.967 . . . . 0.0 109.703 -179.259 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 14.9 tp -53.04 -54.17 39.33 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.12 -0.987 . . . . 0.0 108.744 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.403 ' HA ' ' HE ' ' A' ' 11' ' ' ARG . . . -52.87 -34.52 54.87 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.577 -0.702 . . . . 0.0 110.249 -179.368 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.62 -34.6 77.3 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.157 -0.964 . . . . 0.0 110.241 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.99 -40.92 75.01 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.08 -1.013 . . . . 0.0 109.989 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.403 ' HE ' ' HA ' ' A' ' 8' ' ' ALA . 83.0 mtm180 -60.62 -31.44 70.62 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.048 -1.033 . . . . 0.0 108.947 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.92 -37.62 81.91 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.359 -0.838 . . . . 0.0 109.384 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.48 -32.5 71.49 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.155 -0.966 . . . . 0.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 25.8 tp -72.12 -34.34 68.5 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.226 -0.921 . . . . 0.0 109.179 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 68.1 m80 -76.98 -37.81 54.44 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.201 -0.937 . . . . 0.0 110.587 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.78 -33.2 60.17 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 120.97 -1.081 . . . . 0.0 110.724 -178.225 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 76.5 mt -78.15 -29.13 48.52 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 120.62 -1.3 . . . . 0.0 111.494 -178.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.425 ' O ' ' CG ' ' A' ' 18' ' ' MET . 24.4 ttm -102.85 -2.27 28.2 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 120.846 -1.159 . . . . 0.0 110.913 -178.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.0 m -91.9 -23.03 19.75 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.804 -1.185 . . . . 0.0 109.447 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 160.18 -51.56 0.36 Allowed Glycine 0 N--CA 1.49 2.274 0 C-N-CA 119.732 -1.223 . . . . 0.0 110.127 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.422 ' HG2' ' H ' ' A' ' 21' ' ' LYS . 27.4 mmtm -49.43 135.26 18.04 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.056 -1.261 . . . . 0.0 109.229 -179.481 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -93.35 -12.64 29.5 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.306 -0.872 . . . . 0.0 110.971 -178.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.8 p -132.96 149.86 32.26 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.319 0 O-C-N 121.117 -0.99 . . . . 0.0 111.154 -178.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -145.23 153.13 41.0 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 179.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.7 p -139.16 144.11 38.45 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.178 -0.951 . . . . 0.0 110.027 -179.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.8 m . . . . . 0 N--CA 1.498 1.956 0 O-C-N 121.14 -0.975 . . . . 0.0 109.035 178.753 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 . . . . . 0 N--CA 1.5 2.048 0 CA-C-O 121.478 0.656 . . . . 0.0 109.8 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -138.78 135.81 35.04 Favored 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 38' ' ' THR . 8.6 p -118.56 153.15 34.7 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.589 -0.694 . . . . 0.0 109.239 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.78 -18.38 0.04 OUTLIER 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.318 -0.864 . . . . 0.0 110.644 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 36' ' ' THR . 6.1 m -69.51 -23.63 63.63 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.778 -1.201 . . . . 0.0 110.601 -179.115 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 41' ' ' SER . 97.3 p -113.45 16.41 18.86 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 121.146 -0.971 . . . . 0.0 110.035 -179.684 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.7 p -49.57 -11.94 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 121.07 -1.019 . . . . 0.0 109.553 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 39' ' ' SER . 50.1 m -84.59 -52.67 5.94 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.949 -1.094 . . . . 0.0 110.586 -179.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.558 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 43.3 p-10 -59.66 -24.75 64.15 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.812 -1.18 . . . . 0.0 109.483 -179.316 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.558 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 7.3 tp -74.34 -41.25 61.39 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 120.933 -1.104 . . . . 0.0 108.182 178.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.1 mttm -51.32 -35.72 39.4 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.124 -0.985 . . . . 0.0 108.775 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -69.22 -42.77 75.26 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.195 -0.94 . . . . 0.0 109.587 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.554 ' CZ ' HD11 ' A' ' 50' ' ' LEU . 32.7 t80 -57.71 -29.29 64.59 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.309 -0.869 . . . . 0.0 109.531 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 86.0 mt -79.37 -33.72 15.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.231 -0.918 . . . . 0.0 109.308 179.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.06 -38.96 63.79 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.225 -0.922 . . . . 0.0 109.997 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 67.6 tt0 -66.98 -34.2 77.23 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.206 -0.934 . . . . 0.0 110.583 -179.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.554 HD11 ' CZ ' ' A' ' 46' ' ' TYR . 58.5 mt -72.33 -32.16 66.29 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.682 -1.262 . . . . 0.0 109.412 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -65.77 -29.18 69.65 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.749 -1.22 . . . . 0.0 109.157 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 69.8 t -82.07 -21.05 10.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.016 -1.053 . . . . 0.0 109.808 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -91.4 -8.51 47.69 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.065 -1.022 . . . . 0.0 108.846 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.495 1.786 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 . . . . . 0 N--CA 1.503 2.184 0 CA-C-O 121.012 0.434 . . . . 0.0 110.18 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -56.28 -38.85 71.77 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.994 -1.066 . . . . 0.0 109.335 -179.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 14.2 tp -50.93 -54.61 22.7 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.454 -0.779 . . . . 0.0 109.07 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.54 -32.18 57.79 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.403 -0.81 . . . . 0.0 110.109 -179.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.16 -37.09 72.23 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.136 -0.978 . . . . 0.0 110.11 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.3 -42.04 93.46 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.159 -0.963 . . . . 0.0 109.702 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 -58.49 -39.03 78.88 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.168 -0.957 . . . . 0.0 109.156 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.39 -42.34 95.68 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.389 -0.819 . . . . 0.0 109.671 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.89 -37.9 66.89 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.195 -0.94 . . . . 0.0 109.25 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 25.4 tp -64.86 -33.6 76.39 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.139 -0.976 . . . . 0.0 108.757 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -75.91 -41.36 52.15 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.266 -0.896 . . . . 0.0 110.723 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -76.46 -36.46 57.89 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 120.916 -1.115 . . . . 0.0 111.506 -178.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 17' ' ' LEU . 68.4 mt -71.24 -28.82 64.45 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.751 -1.218 . . . . 0.0 110.858 -178.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.442 ' O ' ' CG ' ' A' ' 18' ' ' MET . 20.8 ttm -101.99 0.58 35.41 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 120.913 -1.117 . . . . 0.0 110.354 -179.24 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 16.6 m -97.95 -23.31 15.87 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.081 -1.012 . . . . 0.0 109.622 179.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 167.45 -71.9 0.16 Allowed Glycine 0 N--CA 1.492 2.381 0 C-N-CA 119.494 -1.336 . . . . 0.0 110.271 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -45.11 131.77 7.44 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.188 -1.183 . . . . 0.0 109.839 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -93.4 -15.08 26.04 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.375 -0.828 . . . . 0.0 110.243 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.2 p -115.18 145.62 20.68 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.253 0 O-C-N 121.403 -0.811 . . . . 0.0 110.902 -178.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.39 135.5 16.67 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 179.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.6 p -109.79 154.55 22.8 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.385 -0.822 . . . . 0.0 109.865 -179.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.5 t . . . . . 0 N--CA 1.5 2.033 0 O-C-N 121.185 -0.947 . . . . 0.0 108.769 178.755 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.478 ' CD ' ' N ' ' A' ' 34' ' ' GLU . 6.0 mp0 . . . . . 0 N--CA 1.498 1.954 0 CA-C-O 121.773 0.797 . . . . 0.0 110.701 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -140.75 136.56 32.65 Favored 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.409 ' O ' ' N ' ' A' ' 38' ' ' THR . 10.5 p -117.51 153.39 33.25 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.463 -0.773 . . . . 0.0 109.591 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.34 -19.15 0.07 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.483 -0.761 . . . . 0.0 110.798 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 36' ' ' THR . 8.2 m -73.97 -22.06 59.77 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.742 -1.224 . . . . 0.0 110.479 -179.209 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.414 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 91.1 p -111.1 18.6 19.24 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.244 -0.91 . . . . 0.0 109.525 -179.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.0 p -56.91 -12.59 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.44 -0.788 . . . . 0.0 110.589 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.0 t -83.62 -53.31 5.75 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.614 -1.304 . . . . 0.0 110.634 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 42' ' ' ASP . 0.9 OUTLIER -57.73 -27.53 63.07 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.91 -1.118 . . . . 0.0 109.349 -179.597 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.2 tp -71.54 -41.46 69.12 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 120.996 -1.065 . . . . 0.0 108.25 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.1 mttm -51.65 -34.66 38.92 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.07 -1.019 . . . . 0.0 108.848 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt -73.23 -45.41 56.26 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.135 -0.978 . . . . 0.0 109.656 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -52.31 -28.81 20.56 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.325 -0.859 . . . . 0.0 109.217 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 87.7 mt -78.63 -33.77 17.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.319 -0.863 . . . . 0.0 109.099 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.77 -37.6 64.96 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.207 -0.933 . . . . 0.0 109.936 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -67.02 -33.81 76.35 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.18 -0.95 . . . . 0.0 110.52 -179.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 50' ' ' LEU . 55.6 mt -72.77 -32.66 65.77 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 120.712 -1.243 . . . . 0.0 109.39 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -65.0 -29.42 70.34 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.775 -1.203 . . . . 0.0 109.005 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 77.1 t -82.52 -20.81 9.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.113 -0.992 . . . . 0.0 109.749 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -92.5 -8.25 45.06 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.084 -1.01 . . . . 0.0 109.469 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.496 1.868 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 -179.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 . . . . . 0 N--CA 1.503 2.198 0 CA-C-O 120.934 0.397 . . . . 0.0 110.103 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -46.87 -30.09 2.33 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.996 -1.065 . . . . 0.0 109.733 -178.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.0 tp -58.07 -54.64 44.63 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.24 -0.912 . . . . 0.0 108.658 179.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.91 -35.81 58.65 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.5 -0.75 . . . . 0.0 110.323 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.92 -43.4 83.39 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.131 -0.981 . . . . 0.0 110.11 -179.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.88 -43.52 90.93 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.088 -1.008 . . . . 0.0 109.771 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 63.0 mtm180 -57.37 -36.12 70.83 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.106 -0.996 . . . . 0.0 109.25 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.42 -41.3 98.59 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.404 -0.81 . . . . 0.0 109.82 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.17 -36.5 70.85 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.163 -0.96 . . . . 0.0 109.475 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 22.0 tp -65.12 -34.71 79.05 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.032 -1.042 . . . . 0.0 109.046 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.441 ' O ' ' OG1' ' A' ' 19' ' ' THR . 49.5 t60 -76.48 -40.35 50.53 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.068 -1.02 . . . . 0.0 110.625 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -76.24 -29.19 57.42 Favored 'General case' 0 C--N 1.295 -1.796 0 O-C-N 121.017 -1.052 . . . . 0.0 111.453 -178.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 44.3 mt -78.69 -29.46 45.56 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 120.617 -1.302 . . . . 0.0 110.9 -179.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.494 ' O ' ' SD ' ' A' ' 18' ' ' MET . 24.8 tpp -101.85 -4.94 25.44 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 120.976 -1.077 . . . . 0.0 110.156 -178.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.441 ' OG1' ' O ' ' A' ' 15' ' ' HIS . 22.6 m -90.57 -22.99 21.0 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.724 -1.235 . . . . 0.0 109.558 179.45 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 165.24 -63.35 0.23 Allowed Glycine 0 N--CA 1.491 2.326 0 C-N-CA 119.392 -1.385 . . . . 0.0 110.508 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.408 ' CD ' ' N ' ' A' ' 21' ' ' LYS . 2.8 mmtp -48.7 131.54 17.9 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.052 -1.264 . . . . 0.0 109.255 -179.077 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 -93.75 -14.71 25.95 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.117 -0.989 . . . . 0.0 109.894 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 73.0 t -117.19 148.07 20.16 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.138 0 O-C-N 121.454 -0.778 . . . . 0.0 110.179 -179.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.19 152.53 33.44 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 179.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.0 p -128.89 157.77 40.63 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.286 -0.884 . . . . 0.0 110.019 -179.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.9 t . . . . . 0 N--CA 1.499 2.002 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 178.774 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.482 ' CD ' ' N ' ' A' ' 34' ' ' GLU . 2.9 mp0 . . . . . 0 N--CA 1.497 1.921 0 CA-C-O 121.9 0.857 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -140.23 135.27 32.18 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 178.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 38' ' ' THR . 6.4 p -118.74 153.79 33.84 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.418 -0.801 . . . . 0.0 109.308 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.13 -18.58 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.401 -0.812 . . . . 0.0 110.652 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.463 ' N ' ' O ' ' A' ' 36' ' ' THR . 6.2 m -69.25 -23.75 63.9 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.816 -1.178 . . . . 0.0 110.53 -179.233 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.445 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 90.4 p -112.71 16.65 19.56 Favored 'General case' 0 N--CA 1.503 2.216 0 O-C-N 121.115 -0.99 . . . . 0.0 110.07 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.7 p -50.5 -12.43 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.017 -1.052 . . . . 0.0 109.672 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 39' ' ' SER . 42.8 t -85.27 -52.98 5.53 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.898 -1.126 . . . . 0.0 110.541 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.543 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 30.4 p-10 -59.86 -24.22 64.05 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.795 -1.191 . . . . 0.0 109.408 -179.311 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.543 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 8.5 tp -73.82 -42.61 60.67 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 178.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 35.7 mttm -51.89 -30.7 25.13 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.116 -0.99 . . . . 0.0 108.611 179.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.7 mmtm -72.8 -45.19 59.81 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.295 -0.878 . . . . 0.0 109.562 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -57.13 -29.55 63.67 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.376 -0.828 . . . . 0.0 109.419 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 88.4 mt -79.07 -33.44 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.251 -0.906 . . . . 0.0 109.298 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.56 -41.63 62.7 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.215 -0.928 . . . . 0.0 109.984 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -64.08 -35.71 81.62 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.151 -0.968 . . . . 0.0 110.425 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 50' ' ' LEU . 51.9 mt -70.04 -31.5 69.16 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 120.563 -1.335 . . . . 0.0 109.06 179.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -64.91 -29.43 70.37 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.945 -1.097 . . . . 0.0 109.431 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 78.8 t -82.58 -21.08 9.55 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 120.894 -1.129 . . . . 0.0 110.137 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 44.5 mm-40 -91.42 -8.48 47.74 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.838 -1.164 . . . . 0.0 109.206 -179.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.496 1.829 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.416 ' CD ' ' N ' ' A' ' 5' ' ' GLU . 13.2 mp0 . . . . . 0 N--CA 1.499 2.006 0 CA-C-O 121.168 0.509 . . . . 0.0 110.374 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.401 ' OE2' ' N ' ' A' ' 7' ' ' LEU . 1.7 pp20? -47.56 -37.01 11.42 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.115 -0.99 . . . . 0.0 109.868 -179.137 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.401 ' N ' ' OE2' ' A' ' 6' ' ' GLU . 13.2 tp -51.87 -53.98 34.42 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.031 -1.043 . . . . 0.0 108.59 179.206 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.402 ' HA ' ' HE ' ' A' ' 11' ' ' ARG . . . -51.07 -36.8 41.88 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.438 -0.789 . . . . 0.0 109.927 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.76 -38.57 83.61 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.085 -1.009 . . . . 0.0 109.995 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.79 -36.76 84.97 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.117 -0.989 . . . . 0.0 109.882 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.402 ' HE ' ' HA ' ' A' ' 8' ' ' ALA . 81.6 mtm180 -64.67 -34.33 78.05 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.105 -0.997 . . . . 0.0 109.265 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.68 -30.28 70.49 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.262 -0.899 . . . . 0.0 109.624 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.34 -37.62 80.7 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.257 -0.902 . . . . 0.0 109.397 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.2 tp -64.93 -35.97 82.86 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.204 -0.935 . . . . 0.0 108.97 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.436 ' O ' ' OG1' ' A' ' 19' ' ' THR . 52.8 t-80 -75.63 -41.29 54.59 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.135 -0.978 . . . . 0.0 110.591 -179.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -74.46 -37.95 63.09 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 120.802 -1.187 . . . . 0.0 111.177 -178.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 48.1 mt -67.62 -30.17 69.68 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.725 -1.235 . . . . 0.0 110.5 -179.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 4.3 tpt -103.4 -0.28 30.28 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 120.996 -1.065 . . . . 0.0 110.673 -179.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.436 ' OG1' ' O ' ' A' ' 15' ' ' HIS . 22.0 m -98.26 -23.66 15.56 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.698 -1.251 . . . . 0.0 109.885 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 170.19 -78.21 0.1 OUTLIER Glycine 0 N--CA 1.492 2.403 0 C-N-CA 119.544 -1.312 . . . . 0.0 109.935 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 61.9 mttt -46.89 104.55 0.05 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.239 -1.153 . . . . 0.0 109.284 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -71.15 -14.85 62.42 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.419 -0.8 . . . . 0.0 110.169 -179.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.2 t -106.34 148.2 10.99 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 O-C-N 121.286 -0.884 . . . . 0.0 110.694 -179.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.53 152.92 33.61 Favored 'General case' 0 N--CA 1.495 1.816 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 179.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.1 p -137.19 143.98 42.64 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.107 -0.996 . . . . 0.0 110.016 -179.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.4 m . . . . . 0 N--CA 1.497 1.923 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 178.241 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.446 ' CD ' ' N ' ' A' ' 34' ' ' GLU . 1.9 mp0 . . . . . 0 N--CA 1.497 1.924 0 CA-C-O 121.58 0.705 . . . . 0.0 110.221 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -140.48 135.36 31.87 Favored 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 38' ' ' THR . 7.0 p -119.34 154.68 33.19 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.499 -0.751 . . . . 0.0 109.228 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.05 -18.25 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.364 -0.835 . . . . 0.0 110.687 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.47 ' N ' ' O ' ' A' ' 36' ' ' THR . 5.9 m -67.02 -23.67 65.93 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 120.704 -1.248 . . . . 0.0 110.297 -179.36 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.526 ' O ' ' N ' ' A' ' 41' ' ' SER . 93.2 p -114.38 17.12 17.66 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 121.23 -0.919 . . . . 0.0 110.219 -179.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.8 p -48.92 -10.7 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 120.919 -1.113 . . . . 0.0 109.612 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.526 ' N ' ' O ' ' A' ' 39' ' ' SER . 47.7 t -84.67 -52.06 6.37 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.055 -1.028 . . . . 0.0 110.552 -179.51 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.549 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 33.3 p-10 -62.59 -27.73 69.39 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.819 -1.176 . . . . 0.0 109.942 -179.086 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.549 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 7.8 tp -73.56 -40.37 63.99 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.745 -1.222 . . . . 0.0 107.866 178.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.8 ttmm -52.29 -34.36 46.26 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.482 -0.761 . . . . 0.0 109.256 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.0 tttm -73.29 -45.57 54.81 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.329 -0.857 . . . . 0.0 109.571 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.571 ' CZ ' HD11 ' A' ' 50' ' ' LEU . 39.9 t80 -52.31 -28.7 20.13 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.4 -0.812 . . . . 0.0 109.588 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.437 ' O ' ' OE2' ' A' ' 51' ' ' GLU . 84.4 mt -78.01 -39.46 25.47 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.223 -0.923 . . . . 0.0 109.38 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.33 -36.57 71.61 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.195 -0.941 . . . . 0.0 110.195 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -67.6 -33.71 75.55 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.16 -0.963 . . . . 0.0 110.582 -179.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.571 HD11 ' CZ ' ' A' ' 46' ' ' TYR . 44.0 mt -71.79 -33.93 68.99 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 120.685 -1.259 . . . . 0.0 109.465 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.519 ' N ' ' OE1' ' A' ' 51' ' ' GLU . 0.2 OUTLIER -64.29 -29.76 70.84 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.715 -1.241 . . . . 0.0 108.686 179.315 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 74.8 t -82.5 -20.43 9.93 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 O-C-N 121.122 -0.986 . . . . 0.0 109.598 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -92.27 -8.41 45.33 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.115 -0.991 . . . . 0.0 109.258 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.497 1.883 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.471 ' CD ' ' N ' ' A' ' 5' ' ' GLU . 5.2 mp0 . . . . . 0 N--CA 1.502 2.148 0 CA-C-O 120.88 0.372 . . . . 0.0 111.242 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -64.56 -39.37 93.62 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.927 -1.108 . . . . 0.0 109.445 -178.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 14.0 tp -50.78 -54.42 23.64 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.417 -0.802 . . . . 0.0 108.906 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.79 -36.29 62.28 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.515 -0.741 . . . . 0.0 109.976 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.07 -31.31 70.86 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.213 -0.929 . . . . 0.0 110.0 -179.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.47 -39.79 70.68 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.029 -1.044 . . . . 0.0 109.768 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 78.5 mtm180 -61.21 -35.82 78.23 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.205 -0.934 . . . . 0.0 109.236 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.73 -40.92 97.93 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.452 -0.78 . . . . 0.0 109.576 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.56 -38.59 72.13 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.175 -0.953 . . . . 0.0 109.33 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 19.8 tp -62.98 -35.54 80.52 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.114 -0.991 . . . . 0.0 108.846 179.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.409 ' O ' ' OG1' ' A' ' 19' ' ' THR . 25.5 t-80 -75.54 -45.85 35.55 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.047 -1.033 . . . . 0.0 110.649 -179.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -70.55 -36.76 73.85 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 120.868 -1.145 . . . . 0.0 111.39 -178.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 40.4 mt -68.7 -31.12 69.98 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.698 -1.251 . . . . 0.0 110.452 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 6.3 tpt -103.31 -0.21 30.55 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 120.87 -1.144 . . . . 0.0 110.474 -179.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' A' ' 15' ' ' HIS . 23.1 m -97.55 -23.6 15.94 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.768 -1.207 . . . . 0.0 109.815 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 169.96 -78.34 0.1 OUTLIER Glycine 0 N--CA 1.491 2.344 0 C-N-CA 119.566 -1.302 . . . . 0.0 109.945 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -46.86 105.44 0.07 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.252 -1.146 . . . . 0.0 109.48 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -71.34 -15.02 62.37 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.34 -0.85 . . . . 0.0 110.116 -179.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.9 t -106.82 146.79 12.81 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.023 0 O-C-N 121.295 -0.878 . . . . 0.0 110.62 -179.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -152.04 152.63 32.66 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 82.5 p -140.82 143.18 34.67 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.063 -1.023 . . . . 0.0 109.964 -179.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.9 m . . . . . 0 N--CA 1.499 1.981 0 O-C-N 121.294 -0.879 . . . . 0.0 108.655 178.895 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.468 ' CD ' ' N ' ' A' ' 34' ' ' GLU . 2.4 mp0 . . . . . 0 N--CA 1.497 1.912 0 CA-C-O 121.698 0.761 . . . . 0.0 110.609 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -140.2 134.66 31.46 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 179.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 38' ' ' THR . 7.5 p -119.18 154.88 32.62 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.422 -0.799 . . . . 0.0 109.433 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.06 -18.71 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.373 -0.829 . . . . 0.0 110.694 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 36' ' ' THR . 5.9 m -68.05 -23.56 64.98 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.807 -1.183 . . . . 0.0 110.378 -179.275 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.516 ' O ' ' N ' ' A' ' 41' ' ' SER . 94.1 p -114.27 16.42 17.94 Favored 'General case' 0 N--CA 1.503 2.18 0 O-C-N 121.208 -0.932 . . . . 0.0 110.182 -179.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.2 p -48.8 -11.62 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 120.929 -1.107 . . . . 0.0 109.525 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.516 ' N ' ' O ' ' A' ' 39' ' ' SER . 94.5 p -84.65 -52.67 5.92 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.95 -1.094 . . . . 0.0 110.678 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.545 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 38.1 p-10 -60.79 -25.48 66.58 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.824 -1.173 . . . . 0.0 109.698 -179.248 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.545 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 7.3 tp -73.27 -41.06 64.07 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 178.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.5 mttm -52.2 -31.66 32.83 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.157 -0.964 . . . . 0.0 108.516 179.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.41 ' HB3' ' HZ3' ' A' ' 45' ' ' LYS . 0.8 OUTLIER -73.28 -45.36 56.11 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.272 -0.892 . . . . 0.0 109.539 -179.808 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.539 ' CZ ' HD11 ' A' ' 50' ' ' LEU . 47.5 t80 -55.11 -29.02 56.76 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.34 -0.85 . . . . 0.0 109.633 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 86.9 mt -78.14 -35.02 19.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.229 -0.919 . . . . 0.0 109.305 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.92 -41.33 62.23 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.251 -0.906 . . . . 0.0 109.971 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 48.9 tt0 -63.33 -34.53 77.91 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.205 -0.935 . . . . 0.0 110.425 -179.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.539 HD11 ' CZ ' ' A' ' 46' ' ' TYR . 57.0 mt -72.2 -31.92 66.31 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.612 -1.305 . . . . 0.0 109.158 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -63.05 -29.57 70.92 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.82 -1.175 . . . . 0.0 109.046 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 70.1 t -83.06 -20.94 9.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.083 -1.011 . . . . 0.0 109.852 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -91.7 -8.26 47.49 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.0 -1.063 . . . . 0.0 109.185 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.496 1.854 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 -179.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 . . . . . 0 N--CA 1.503 2.182 0 CA-C-O 120.954 0.407 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -56.82 -37.81 71.72 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 120.929 -1.107 . . . . 0.0 109.124 -179.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 17.5 tp -51.05 -54.1 27.76 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.353 -0.842 . . . . 0.0 108.925 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.05 -33.23 56.87 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.392 -0.818 . . . . 0.0 109.998 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.62 -32.77 70.23 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.169 -0.957 . . . . 0.0 110.036 -179.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.64 -42.57 70.7 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.159 -0.963 . . . . 0.0 109.914 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -59.0 -36.84 75.58 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.126 -0.984 . . . . 0.0 108.963 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.14 -40.52 96.23 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.46 -0.775 . . . . 0.0 109.416 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.09 -36.41 68.09 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.218 -0.926 . . . . 0.0 109.175 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 21.7 tp -65.11 -34.43 78.38 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.113 -0.992 . . . . 0.0 108.766 179.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -75.88 -40.2 54.97 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.2 -0.937 . . . . 0.0 110.868 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -76.8 -32.34 57.57 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 120.8 -1.187 . . . . 0.0 111.666 -178.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 81.0 mt -76.58 -27.86 55.98 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.608 -1.308 . . . . 0.0 110.939 -178.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.448 ' O ' ' CG ' ' A' ' 18' ' ' MET . 20.0 ttm -102.54 0.76 34.03 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 120.885 -1.134 . . . . 0.0 110.409 -179.241 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.6 m -100.55 -23.38 14.7 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.137 -0.977 . . . . 0.0 109.944 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 169.25 -75.52 0.11 Allowed Glycine 0 N--CA 1.494 2.514 0 C-N-CA 119.42 -1.371 . . . . 0.0 110.376 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 44.7 mttm -44.25 131.67 6.07 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.377 -1.072 . . . . 0.0 109.904 -179.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.16 -15.44 25.97 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.443 -0.786 . . . . 0.0 110.149 -179.256 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.1 p -114.11 146.19 18.97 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.293 0 O-C-N 121.404 -0.81 . . . . 0.0 110.868 -178.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.61 136.74 17.44 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.7 p -108.95 155.56 20.72 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.319 -0.863 . . . . 0.0 109.945 -179.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.6 t . . . . . 0 N--CA 1.499 1.996 0 O-C-N 121.26 -0.9 . . . . 0.0 108.915 178.757 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.472 ' CD ' ' N ' ' A' ' 34' ' ' GLU . 10.2 mp0 . . . . . 0 N--CA 1.496 1.865 0 CA-C-O 121.715 0.769 . . . . 0.0 110.555 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -140.71 136.47 32.62 Favored 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 38' ' ' THR . 9.4 p -117.87 152.77 34.73 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.421 -0.8 . . . . 0.0 109.297 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.94 -17.95 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.417 -0.802 . . . . 0.0 110.69 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 36' ' ' THR . 3.6 p -70.39 -23.66 62.8 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.729 -1.232 . . . . 0.0 110.236 -179.311 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.471 ' O ' ' N ' ' A' ' 41' ' ' SER . 90.8 p -111.83 16.45 20.42 Favored 'General case' 0 N--CA 1.503 2.189 0 O-C-N 121.061 -1.024 . . . . 0.0 109.993 -179.719 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.8 p -49.99 -11.87 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 121.062 -1.024 . . . . 0.0 109.521 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 39' ' ' SER . 44.8 m -85.46 -52.86 5.56 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.058 -1.026 . . . . 0.0 110.64 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.546 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 35.6 p-10 -59.54 -23.88 63.23 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.723 -1.235 . . . . 0.0 109.361 -179.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.546 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 7.8 tp -74.99 -40.55 60.63 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 178.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 49.0 mttt -51.2 -36.82 43.33 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.128 -0.982 . . . . 0.0 108.805 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -73.92 -46.11 46.38 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.12 -0.988 . . . . 0.0 109.806 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -51.31 -26.4 7.43 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.17 -0.957 . . . . 0.0 108.901 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 92.2 mt -79.76 -35.15 16.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.325 -0.86 . . . . 0.0 109.087 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.74 -40.63 63.38 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.213 -0.93 . . . . 0.0 109.791 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -63.35 -35.17 79.52 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.166 -0.959 . . . . 0.0 110.374 -179.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 50' ' ' LEU . 51.0 mt -71.11 -32.21 68.74 Favored 'General case' 0 N--CA 1.497 1.919 0 C-N-CA 118.54 -1.264 . . . . 0.0 108.954 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -62.81 -29.76 70.97 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.911 -1.118 . . . . 0.0 109.299 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 70.0 t -82.91 -21.76 9.03 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 120.932 -1.105 . . . . 0.0 109.985 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.6 mm100 -92.24 -8.09 46.32 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.972 -1.08 . . . . 0.0 109.271 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.497 1.886 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.47 ' CD ' ' N ' ' A' ' 5' ' ' GLU . 16.8 mp0 . . . . . 0 N--CA 1.501 2.083 0 CA-C-O 120.99 0.424 . . . . 0.0 111.125 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -60.88 -35.1 75.75 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.761 -1.212 . . . . 0.0 109.157 -179.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 14.5 tp -51.04 -54.07 28.01 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.83 -44.87 70.61 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.571 -0.706 . . . . 0.0 110.059 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.95 -35.04 77.27 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.156 -0.965 . . . . 0.0 110.021 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.81 -44.24 86.23 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.19 -0.944 . . . . 0.0 109.759 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -57.25 -33.68 67.84 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.193 -0.942 . . . . 0.0 109.187 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.05 -33.6 75.87 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.387 -0.82 . . . . 0.0 109.576 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.99 -31.91 73.26 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.191 -0.943 . . . . 0.0 109.349 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.8 tp -70.15 -37.35 75.21 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.192 -0.942 . . . . 0.0 109.114 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 60.6 m80 -76.58 -38.2 55.29 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.886 -1.134 . . . . 0.0 110.813 -179.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -75.82 -29.96 58.85 Favored 'General case' 0 C--N 1.296 -1.721 0 O-C-N 120.797 -1.189 . . . . 0.0 111.464 -178.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.4 mt -79.04 -29.12 43.38 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 120.727 -1.233 . . . . 0.0 111.019 -179.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 5.8 tpt -101.83 -0.13 34.69 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 120.808 -1.182 . . . . 0.0 110.273 -179.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 20.1 m -95.25 -22.73 17.61 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.934 -1.104 . . . . 0.0 109.379 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 164.72 -63.98 0.23 Allowed Glycine 0 N--CA 1.493 2.443 0 C-N-CA 119.674 -1.251 . . . . 0.0 110.054 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.473 ' H ' ' CD ' ' A' ' 21' ' ' LYS . 4.0 mptp? -46.24 131.52 10.34 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.324 -1.103 . . . . 0.0 109.519 -179.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -94.0 -13.68 26.72 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.268 -0.895 . . . . 0.0 110.211 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.1 p -121.73 149.18 24.92 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.349 0 O-C-N 121.414 -0.804 . . . . 0.0 110.819 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -149.45 152.42 35.63 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 179.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.0 p -126.3 154.8 42.94 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.314 -0.866 . . . . 0.0 109.799 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.9 t . . . . . 0 N--CA 1.5 2.027 0 O-C-N 121.257 -0.902 . . . . 0.0 108.927 179.017 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 . . . . . 0 N--CA 1.499 2.016 0 CA-C-O 121.683 0.754 . . . . 0.0 110.703 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -140.24 136.28 33.2 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 179.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 38' ' ' THR . 9.2 p -116.5 152.68 33.58 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.417 -0.802 . . . . 0.0 109.433 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.79 -18.66 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.401 -0.812 . . . . 0.0 110.585 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 36' ' ' THR . 6.7 m -70.13 -24.25 63.15 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.744 -1.223 . . . . 0.0 110.485 -179.249 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.439 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 87.6 p -110.74 16.51 21.33 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.102 -0.998 . . . . 0.0 109.856 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.2 p -51.35 -12.08 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.096 -1.002 . . . . 0.0 109.679 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.428 ' N ' ' C ' ' A' ' 39' ' ' SER . 48.0 m -85.92 -53.15 5.28 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.93 -1.106 . . . . 0.0 110.465 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.557 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 28.4 p-10 -58.59 -24.69 61.44 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.945 -1.097 . . . . 0.0 109.354 -179.468 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.557 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 8.5 tp -75.16 -41.03 59.04 Favored 'General case' 0 N--CA 1.486 1.333 0 O-C-N 121.041 -1.037 . . . . 0.0 108.246 178.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -51.58 -34.61 37.83 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.222 -0.924 . . . . 0.0 109.243 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -74.78 -45.98 40.06 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.054 -1.029 . . . . 0.0 109.758 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.473 ' CZ ' HD11 ' A' ' 50' ' ' LEU . 32.0 t80 -51.36 -26.28 7.45 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.18 -0.95 . . . . 0.0 108.878 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.421 ' O ' ' OE2' ' A' ' 51' ' ' GLU . 89.7 mt -80.36 -41.37 20.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.304 -0.873 . . . . 0.0 109.59 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.45 -36.24 73.81 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.095 -1.003 . . . . 0.0 110.134 -179.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -68.3 -34.54 76.34 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.107 -0.996 . . . . 0.0 110.545 -179.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.473 HD11 ' CZ ' ' A' ' 46' ' ' TYR . 49.5 mt -70.4 -33.08 70.96 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.541 -1.35 . . . . 0.0 109.416 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.529 ' N ' ' OE1' ' A' ' 51' ' ' GLU . 0.1 OUTLIER -65.53 -30.08 70.8 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.854 -1.154 . . . . 0.0 109.143 179.607 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 69.0 t -82.34 -20.33 10.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 120.982 -1.074 . . . . 0.0 109.894 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -92.12 -8.34 45.99 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.009 -1.057 . . . . 0.0 109.123 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.495 1.802 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 -179.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 . . . . . 0 N--CA 1.501 2.123 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -46.52 -32.59 3.46 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.151 -0.968 . . . . 0.0 109.713 -179.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.2 tp -56.71 -54.28 47.98 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.249 -0.907 . . . . 0.0 108.61 179.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.05 -33.64 26.41 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.513 -0.742 . . . . 0.0 110.064 -179.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.36 -37.18 77.5 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.108 -0.995 . . . . 0.0 110.064 -179.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.96 -38.87 89.67 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.086 -1.009 . . . . 0.0 109.987 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 83.3 mtm180 -63.24 -33.35 75.3 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.188 -0.945 . . . . 0.0 109.1 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.63 -36.62 84.85 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.407 -0.808 . . . . 0.0 109.66 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.17 -41.57 98.43 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.159 -0.963 . . . . 0.0 109.396 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 30.1 tp -63.22 -32.71 74.17 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.068 -1.02 . . . . 0.0 108.76 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 26.6 t60 -75.46 -41.37 55.79 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.223 -0.923 . . . . 0.0 110.631 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -76.41 -39.46 53.52 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 121.015 -1.053 . . . . 0.0 111.346 -178.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 59.3 mt -67.76 -29.47 68.68 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.755 -1.216 . . . . 0.0 110.852 -178.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 25.9 ttm -102.23 -0.01 33.71 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 120.791 -1.193 . . . . 0.0 110.562 -178.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.9 m -97.01 -23.09 16.44 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.011 -1.056 . . . . 0.0 109.57 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 167.52 -70.51 0.17 Allowed Glycine 0 N--CA 1.492 2.385 0 C-N-CA 119.539 -1.315 . . . . 0.0 110.216 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.6 mttm -45.94 132.01 9.39 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.23 -1.159 . . . . 0.0 109.69 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -93.13 -14.42 27.24 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.277 -0.889 . . . . 0.0 109.868 -179.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.5 p -115.57 147.12 19.18 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.372 0 CA-C-O 121.677 0.751 . . . . 0.0 110.898 -178.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.45 152.47 33.09 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 179.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 69.5 p -139.67 145.47 38.47 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.096 -1.003 . . . . 0.0 109.866 -179.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.498 1.933 0 O-C-N 121.252 -0.905 . . . . 0.0 108.766 178.91 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 . . . . . 0 N--CA 1.499 1.98 0 CA-C-O 121.516 0.674 . . . . 0.0 110.083 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -139.79 135.62 33.22 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.455 ' O ' ' N ' ' A' ' 38' ' ' THR . 8.9 p -118.27 152.84 34.98 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.532 -0.73 . . . . 0.0 109.339 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.98 -17.84 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.447 -0.783 . . . . 0.0 110.649 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.455 ' N ' ' O ' ' A' ' 36' ' ' THR . 3.4 p -70.36 -23.89 62.88 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.725 -1.234 . . . . 0.0 110.358 -179.179 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 41' ' ' SER . 90.0 p -111.84 16.15 20.54 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.026 -1.046 . . . . 0.0 109.877 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.3 p -50.13 -12.07 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.004 -1.06 . . . . 0.0 109.611 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 39' ' ' SER . 42.0 t -84.89 -52.45 6.0 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.982 -1.074 . . . . 0.0 110.498 -179.755 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.554 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 35.3 p-10 -60.15 -24.72 64.94 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.833 -1.167 . . . . 0.0 109.624 -179.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.554 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 7.8 tp -74.61 -41.92 59.56 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 120.883 -1.136 . . . . 0.0 108.378 179.006 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.5 mtmt -51.66 -35.23 41.5 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.015 -1.053 . . . . 0.0 108.834 179.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -68.9 -45.22 71.48 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.176 -0.952 . . . . 0.0 109.559 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.547 ' CZ ' HD11 ' A' ' 50' ' ' LEU . 34.3 t80 -54.94 -29.16 55.81 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.338 -0.851 . . . . 0.0 109.414 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 88.6 mt -78.53 -33.02 16.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.224 -0.922 . . . . 0.0 109.175 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.96 -44.48 54.73 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.229 -0.919 . . . . 0.0 109.941 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -61.11 -35.77 77.93 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.151 -0.968 . . . . 0.0 110.374 -179.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.547 HD11 ' CZ ' ' A' ' 46' ' ' TYR . 54.5 mt -70.38 -31.94 69.4 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 120.681 -1.262 . . . . 0.0 109.242 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -63.03 -29.28 70.7 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.914 -1.116 . . . . 0.0 109.104 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 77.3 t -82.86 -20.43 9.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.06 -1.025 . . . . 0.0 110.01 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.516 HE21 HD23 ' A' ' 50' ' ' LEU . 29.2 mt-30 -91.26 -8.94 46.93 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.891 -1.13 . . . . 0.0 109.35 -179.509 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.496 1.853 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 . . . . . 0 N--CA 1.501 2.097 0 CA-C-O 121.146 0.498 . . . . 0.0 109.839 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -47.33 -32.87 5.15 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.184 -0.947 . . . . 0.0 109.966 -179.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 16.7 tp -57.92 -54.62 44.87 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.061 -1.024 . . . . 0.0 108.795 179.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.21 -30.6 50.46 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.499 -0.751 . . . . 0.0 110.29 -179.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.57 -29.64 63.72 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.105 -0.997 . . . . 0.0 110.046 -179.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.41 -42.06 59.84 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.04 -1.038 . . . . 0.0 109.718 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -59.81 -36.41 76.7 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.179 -0.951 . . . . 0.0 108.875 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.59 -40.25 96.47 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.437 -0.79 . . . . 0.0 109.405 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.3 -34.12 66.18 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.185 -0.947 . . . . 0.0 109.14 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.6 tp -68.0 -36.45 80.02 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.226 -0.921 . . . . 0.0 109.169 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 47.7 t60 -76.63 -36.63 57.29 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.017 -1.052 . . . . 0.0 110.715 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -76.87 -31.64 56.93 Favored 'General case' 0 C--N 1.294 -1.844 0 O-C-N 121.027 -1.046 . . . . 0.0 111.455 -178.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 64.3 mt -79.23 -29.16 42.61 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 120.642 -1.286 . . . . 0.0 111.289 -179.035 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.499 ' O ' ' SD ' ' A' ' 18' ' ' MET . 25.2 tpp -101.93 -3.92 27.03 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 120.829 -1.169 . . . . 0.0 110.395 -178.461 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 20.2 m -89.9 -23.0 21.73 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.642 -1.286 . . . . 0.0 109.461 179.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 161.03 -52.45 0.34 Allowed Glycine 0 N--CA 1.491 2.322 0 C-N-CA 119.47 -1.347 . . . . 0.0 110.495 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.4 mmtm -51.0 135.46 24.73 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.051 -1.264 . . . . 0.0 109.226 -179.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 38.2 mtp180 -93.7 -13.23 27.72 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.232 -0.918 . . . . 0.0 110.793 -179.175 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.9 p -129.65 151.65 36.14 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.376 0 O-C-N 121.189 -0.944 . . . . 0.0 110.943 -178.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -148.49 152.23 36.52 Favored 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.4 p -125.05 155.6 39.52 Favored 'General case' 0 N--CA 1.503 2.181 0 O-C-N 121.309 -0.869 . . . . 0.0 109.796 -179.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.8 t . . . . . 0 N--CA 1.498 1.959 0 O-C-N 121.293 -0.879 . . . . 0.0 108.904 179.071 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 . . . . . 0 N--CA 1.498 1.953 0 CA-C-O 121.696 0.76 . . . . 0.0 110.651 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -140.28 136.35 33.2 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 179.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 38' ' ' THR . 10.0 p -117.51 152.69 34.55 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.452 -0.78 . . . . 0.0 109.459 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.27 -18.36 0.05 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.421 -0.799 . . . . 0.0 110.663 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.434 ' N ' ' O ' ' A' ' 36' ' ' THR . 4.3 p -72.31 -23.29 61.15 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.75 -1.219 . . . . 0.0 110.224 -179.289 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.412 ' C ' ' N ' ' A' ' 41' ' ' SER . 93.6 p -110.42 16.99 21.27 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 121.114 -0.991 . . . . 0.0 109.769 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.1 p -52.26 -11.72 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.298 -0.876 . . . . 0.0 109.592 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.412 ' N ' ' C ' ' A' ' 39' ' ' SER . 48.3 t -84.79 -53.31 5.43 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.962 -1.086 . . . . 0.0 110.776 -179.492 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.524 ' OD1' ' N ' ' A' ' 42' ' ' ASP . 0.0 OUTLIER -60.01 -23.36 63.6 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.759 -1.213 . . . . 0.0 109.024 -179.219 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.3 tp -75.13 -40.53 59.69 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 120.819 -1.175 . . . . 0.0 108.116 178.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttt -51.22 -36.77 43.28 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.088 -1.007 . . . . 0.0 108.751 179.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -71.25 -45.58 62.9 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.143 -0.973 . . . . 0.0 110.329 -179.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.488 ' CZ ' HD11 ' A' ' 50' ' ' LEU . 29.4 t80 -55.08 -27.63 46.38 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.196 -0.94 . . . . 0.0 109.634 -179.638 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 85.1 mt -78.82 -32.47 15.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.067 -1.021 . . . . 0.0 108.875 179.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.84 -48.35 38.45 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.349 -0.845 . . . . 0.0 110.324 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -58.73 -42.43 88.74 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.949 -1.094 . . . . 0.0 110.216 -179.064 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.488 HD11 ' CZ ' ' A' ' 46' ' ' TYR . 38.2 mt -62.23 -32.44 73.12 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 120.731 -1.231 . . . . 0.0 109.197 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -63.74 -29.97 71.12 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.856 -1.153 . . . . 0.0 109.345 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 70.2 t -83.31 -20.79 9.11 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 120.947 -1.096 . . . . 0.0 109.751 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -89.93 -8.8 50.93 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.03 -1.044 . . . . 0.0 108.814 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.495 1.778 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.47 ' CD ' ' N ' ' A' ' 5' ' ' GLU . 15.4 mp0 . . . . . 0 N--CA 1.5 2.044 0 CA-C-O 121.222 0.534 . . . . 0.0 110.388 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -47.52 -32.68 5.52 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.21 -0.931 . . . . 0.0 109.904 -179.255 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 16.5 tp -55.96 -50.96 69.35 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.122 -0.986 . . . . 0.0 108.684 179.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.46 -39.58 70.55 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.63 -0.669 . . . . 0.0 110.841 -178.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.34 -28.61 62.15 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.045 -1.034 . . . . 0.0 111.265 -178.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.17 -51.03 50.47 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.922 -1.111 . . . . 0.0 110.676 -178.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.4 ptt180 -60.81 -35.79 77.4 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 120.872 -1.143 . . . . 0.0 108.691 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.43 -34.34 68.85 Favored 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 179.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.34 -41.87 98.93 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 179.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 22.5 tp -56.48 -34.78 67.24 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.152 -0.967 . . . . 0.0 108.893 179.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -76.63 -38.44 54.69 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.16 -0.962 . . . . 0.0 110.873 -179.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -76.9 -30.96 56.39 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 120.91 -1.119 . . . . 0.0 111.496 -178.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 75.5 mt -78.49 -29.14 46.54 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 120.726 -1.234 . . . . 0.0 110.955 -179.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.443 ' O ' ' CG ' ' A' ' 18' ' ' MET . 21.7 ttm -102.67 0.18 32.74 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 120.93 -1.106 . . . . 0.0 110.596 -178.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.4 m -92.88 -23.61 18.73 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.898 -1.126 . . . . 0.0 109.489 179.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 171.58 -79.18 0.09 OUTLIER Glycine 0 N--CA 1.491 2.345 0 C-N-CA 119.608 -1.282 . . . . 0.0 110.061 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.3 mtpt -48.48 138.06 10.78 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.211 -1.17 . . . . 0.0 109.392 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 65.0 mtm180 -93.14 -13.84 27.95 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.256 -0.902 . . . . 0.0 110.249 -179.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 42.5 t -109.2 151.01 11.63 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.196 0 O-C-N 121.231 -0.918 . . . . 0.0 111.092 -178.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.36 152.38 33.05 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 107.845 -1.168 . . . . 0.0 107.845 178.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 17.7 p -122.19 149.19 43.98 Favored 'General case' 0 N--CA 1.505 2.302 0 O-C-N 121.136 -0.977 . . . . 0.0 110.828 -178.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.4 t . . . . . 0 N--CA 1.498 1.949 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 178.951 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 . . . . . 0 N--CA 1.501 2.114 0 CA-C-O 121.732 0.777 . . . . 0.0 110.613 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -138.93 136.66 35.69 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 38' ' ' THR . 5.6 p -118.17 153.52 33.7 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.46 -0.775 . . . . 0.0 109.069 179.525 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.3 -18.98 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.328 -0.857 . . . . 0.0 110.779 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 36' ' ' THR . 5.5 m -69.46 -23.44 63.66 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.772 -1.205 . . . . 0.0 110.461 -179.155 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 88.1 p -111.14 17.16 20.61 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.189 -0.944 . . . . 0.0 109.967 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.5 p -52.67 -12.4 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 121.256 -0.903 . . . . 0.0 109.871 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 40.9 t -85.09 -53.02 5.54 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.896 -1.127 . . . . 0.0 110.738 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' A' ' 42' ' ' ASP . 0.0 OUTLIER -61.27 -23.57 65.76 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.904 -1.122 . . . . 0.0 109.044 -179.294 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.8 tp -74.21 -43.17 58.19 Favored 'General case' 0 N--CA 1.486 1.33 0 O-C-N 120.769 -1.207 . . . . 0.0 108.244 179.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 25.4 mttp -51.86 -35.01 43.43 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.102 -0.999 . . . . 0.0 109.288 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -74.96 -30.73 61.29 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.055 -1.028 . . . . 0.0 110.082 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -66.53 -28.76 68.8 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.299 -0.875 . . . . 0.0 109.629 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 97.1 mt -79.98 -35.14 15.78 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 121.157 -0.964 . . . . 0.0 109.146 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.54 -44.4 57.62 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.319 -0.863 . . . . 0.0 109.924 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -61.85 -34.46 76.01 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.148 -0.97 . . . . 0.0 110.451 -179.181 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 50' ' ' LEU . 46.3 mt -70.7 -33.02 70.45 Favored 'General case' 0 N--CA 1.5 2.046 0 C-N-CA 118.599 -1.24 . . . . 0.0 109.389 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -63.13 -29.86 71.13 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.74 -1.225 . . . . 0.0 108.759 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 72.4 t -83.01 -20.48 9.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.085 -1.009 . . . . 0.0 109.78 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -92.75 -8.68 43.11 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.042 -1.036 . . . . 0.0 109.607 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.496 1.873 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 -179.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.461 ' CD ' ' N ' ' A' ' 5' ' ' GLU . 2.0 mp0 . . . . . 0 N--CA 1.502 2.131 0 CA-C-O 121.008 0.432 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -66.91 -38.27 85.92 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.013 -1.055 . . . . 0.0 109.451 -179.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.464 ' O ' HD23 ' A' ' 7' ' ' LEU . 1.3 tt -51.16 -54.76 22.38 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.265 -0.897 . . . . 0.0 108.655 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.95 -39.95 63.31 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.481 -0.762 . . . . 0.0 110.107 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.88 -41.66 91.31 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.15 -0.969 . . . . 0.0 110.055 -179.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.12 -37.72 77.88 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.119 -0.988 . . . . 0.0 109.989 -179.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 44.8 mtp180 -63.04 -39.54 95.03 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.073 -1.017 . . . . 0.0 109.073 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.82 -32.21 69.17 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.415 -0.803 . . . . 0.0 109.579 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.35 -38.45 84.85 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.207 -0.933 . . . . 0.0 109.376 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 36.5 tp -60.16 -32.95 71.53 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.078 -1.014 . . . . 0.0 109.146 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.453 ' O ' ' OG1' ' A' ' 19' ' ' THR . 41.4 t60 -76.99 -39.2 51.31 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.204 -0.935 . . . . 0.0 110.835 -179.556 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.411 ' O ' ' O ' ' A' ' 21' ' ' LYS . 27.8 t70 -76.04 -31.51 58.87 Favored 'General case' 0 C--N 1.296 -1.749 0 O-C-N 120.881 -1.137 . . . . 0.0 111.419 -178.116 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 90.7 mt -78.54 -28.39 46.08 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.78 -1.2 . . . . 0.0 111.186 -178.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 26.1 ttm -104.24 -4.56 22.86 Favored 'General case' 0 N--CA 1.505 2.298 0 O-C-N 120.744 -1.223 . . . . 0.0 111.189 -178.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.453 ' OG1' ' O ' ' A' ' 15' ' ' HIS . 55.3 m -92.19 -23.2 19.45 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.727 -1.233 . . . . 0.0 110.026 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 164.79 -73.45 0.18 Allowed Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.481 -1.448 . . . . 0.0 109.481 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' A' ' 16' ' ' ASP . 18.7 ttmt -47.14 127.66 10.71 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.271 -1.135 . . . . 0.0 108.819 179.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 -93.19 -14.45 27.11 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.254 -0.904 . . . . 0.0 111.134 -178.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.7 t -107.88 144.7 16.15 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.34 0 O-C-N 121.002 -1.061 . . . . 0.0 111.247 -178.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -150.93 152.67 33.94 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 179.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 40.3 p -126.32 153.46 44.83 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.387 -0.821 . . . . 0.0 109.631 -179.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.9 t . . . . . 0 N--CA 1.5 2.05 0 O-C-N 121.163 -0.96 . . . . 0.0 108.984 179.112 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 . . . . . 0 N--CA 1.5 2.029 0 CA-C-O 121.659 0.742 . . . . 0.0 110.334 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -141.13 135.64 31.08 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 38' ' ' THR . 4.6 p -119.84 154.17 34.7 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.524 -0.735 . . . . 0.0 109.156 179.461 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -44.88 -18.45 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.267 -0.895 . . . . 0.0 110.748 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.471 ' N ' ' O ' ' A' ' 36' ' ' THR . 5.8 m -67.06 -23.1 65.84 Favored 'General case' 0 N--CA 1.486 1.347 0 O-C-N 120.746 -1.221 . . . . 0.0 110.198 -179.389 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.447 ' C ' ' H ' ' A' ' 41' ' ' SER . 92.9 p -114.07 16.98 18.06 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.175 -0.953 . . . . 0.0 110.589 -179.515 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.8 p -51.46 -10.92 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 120.981 -1.074 . . . . 0.0 109.358 179.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.447 ' H ' ' C ' ' A' ' 39' ' ' SER . 45.1 t -85.54 -52.54 5.76 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.064 -1.023 . . . . 0.0 110.893 -179.424 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' A' ' 42' ' ' ASP . 0.0 OUTLIER -64.63 -24.55 67.62 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.794 -1.191 . . . . 0.0 109.321 -179.102 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.1 tp -73.83 -44.11 56.7 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 120.653 -1.28 . . . . 0.0 107.725 178.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -51.69 -31.09 24.6 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 52.4 tttm -76.05 -39.77 54.77 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.454 -0.779 . . . . 0.0 109.755 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -60.66 -29.48 69.31 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.353 -0.842 . . . . 0.0 109.644 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 90.0 mt -77.94 -39.47 25.76 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.155 -0.966 . . . . 0.0 109.414 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.18 -40.33 71.32 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.194 -0.941 . . . . 0.0 109.899 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -62.2 -33.51 74.69 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.159 -0.963 . . . . 0.0 110.225 -179.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 48.6 mt -70.8 -31.81 68.69 Favored 'General case' 0 N--CA 1.498 1.962 0 C-N-CA 118.412 -1.315 . . . . 0.0 108.641 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -63.21 -29.76 71.03 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.027 -1.046 . . . . 0.0 109.34 179.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 75.6 t -83.9 -20.79 8.79 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 120.986 -1.071 . . . . 0.0 110.613 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -92.38 -9.56 41.31 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.788 -1.195 . . . . 0.0 109.335 -179.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.495 1.815 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 . . . . . 0 N--CA 1.506 2.357 0 CA-C-O 120.807 0.337 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -70.38 -39.26 74.68 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.761 -1.212 . . . . 0.0 109.522 -178.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 15.5 tp -50.77 -53.93 27.68 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.322 -0.861 . . . . 0.0 108.776 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.9 -42.71 69.02 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.469 -0.77 . . . . 0.0 109.975 -179.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.29 -34.3 77.38 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.205 -0.934 . . . . 0.0 110.021 -179.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.68 -43.02 81.13 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.056 -1.028 . . . . 0.0 109.823 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 57.6 mtp180 -58.52 -38.23 77.3 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.156 -0.965 . . . . 0.0 109.095 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.33 -37.6 81.13 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.463 -0.773 . . . . 0.0 109.407 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.57 -38.25 80.65 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.229 -0.919 . . . . 0.0 109.241 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.1 tp -64.47 -34.1 77.43 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.192 -0.943 . . . . 0.0 108.821 179.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 37.0 t60 -76.12 -40.43 52.86 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.263 -0.898 . . . . 0.0 110.715 -179.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -76.75 -31.16 56.89 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 120.87 -1.144 . . . . 0.0 111.595 -178.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 75.7 mt -77.07 -28.24 54.6 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 120.61 -1.306 . . . . 0.0 110.894 -179.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.449 ' O ' ' CG ' ' A' ' 18' ' ' MET . 19.3 ttm -102.79 0.86 33.39 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.006 -1.059 . . . . 0.0 110.482 -179.164 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 53.1 m -102.6 -24.07 13.81 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.141 -0.975 . . . . 0.0 110.184 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 171.84 -79.39 0.09 OUTLIER Glycine 0 N--CA 1.492 2.38 0 C-N-CA 119.413 -1.375 . . . . 0.0 110.352 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.406 ' HG3' ' H ' ' A' ' 21' ' ' LYS . 66.4 mttt -46.1 107.36 0.1 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.201 -1.176 . . . . 0.0 109.656 -179.565 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.567 ' NH1' ' CB ' ' A' ' 37' ' ' ALA . 17.3 mmm180 -72.15 -14.85 61.93 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.425 -0.797 . . . . 0.0 110.065 -179.319 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 45.6 t -109.38 149.18 12.65 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.17 0 O-C-N 121.32 -0.862 . . . . 0.0 110.569 -179.106 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.65 152.42 32.8 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.9 p -125.38 154.68 41.52 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.385 -0.822 . . . . 0.0 109.774 -179.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.8 t . . . . . 0 N--CA 1.499 2.015 0 O-C-N 121.174 -0.954 . . . . 0.0 108.746 178.841 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.469 ' CD ' ' N ' ' A' ' 34' ' ' GLU . 3.1 mp0 . . . . . 0 N--CA 1.497 1.892 0 CA-C-O 121.682 0.754 . . . . 0.0 110.62 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -134.31 136.01 43.19 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 179.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.469 ' O ' ' N ' ' A' ' 38' ' ' THR . 7.2 p -118.09 153.66 33.39 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.451 -0.78 . . . . 0.0 109.297 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.567 ' CB ' ' NH1' ' A' ' 22' ' ' ARG . . . -45.21 -17.9 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.42 -0.8 . . . . 0.0 110.655 -179.697 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.469 ' N ' ' O ' ' A' ' 36' ' ' THR . 3.2 p -68.54 -23.74 64.55 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.751 -1.218 . . . . 0.0 110.109 -179.376 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 41' ' ' SER . 89.1 p -113.03 16.36 19.35 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 121.161 -0.962 . . . . 0.0 110.172 -179.685 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.2 p -49.84 -11.38 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.775 0 O-C-N 120.88 -1.137 . . . . 0.0 109.385 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.494 ' N ' ' O ' ' A' ' 39' ' ' SER . 94.0 p -84.91 -52.92 5.66 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.03 -1.044 . . . . 0.0 110.621 -179.634 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.54 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 30.0 p-10 -61.41 -25.7 67.37 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.849 -1.157 . . . . 0.0 109.693 -179.209 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.54 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 7.9 tp -74.09 -40.37 62.79 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 178.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -51.65 -35.9 44.04 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.35 -0.844 . . . . 0.0 108.912 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -73.35 -45.59 54.2 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.175 -0.953 . . . . 0.0 109.88 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -52.16 -29.77 23.65 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.282 -0.886 . . . . 0.0 109.39 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 86.5 mt -77.47 -35.24 21.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.26 -0.9 . . . . 0.0 109.188 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.25 -42.59 62.35 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.21 -0.932 . . . . 0.0 110.0 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -61.16 -35.08 76.14 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.178 -0.951 . . . . 0.0 110.407 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 50' ' ' LEU . 55.4 mt -71.55 -31.97 67.6 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.525 -1.359 . . . . 0.0 109.143 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -61.98 -29.74 70.45 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.852 -1.155 . . . . 0.0 108.936 179.306 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 69.9 t -83.19 -20.68 9.24 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.051 -1.031 . . . . 0.0 109.781 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -91.83 -7.98 47.9 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.144 -0.972 . . . . 0.0 109.282 -179.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.497 1.887 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 -179.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 . . . . . 0 N--CA 1.503 2.2 0 CA-C-O 120.95 0.405 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -57.68 -37.4 73.37 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.941 -1.1 . . . . 0.0 109.126 -179.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 14.3 tp -51.11 -54.23 27.01 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.465 -0.772 . . . . 0.0 108.937 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.02 -35.97 62.51 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.423 -0.798 . . . . 0.0 109.984 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.19 -28.9 67.67 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.154 -0.966 . . . . 0.0 110.009 -179.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.21 -43.52 64.36 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.059 -1.026 . . . . 0.0 109.795 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.502 HH11 ' HG2' ' A' ' 11' ' ' ARG . 14.9 mtt-85 -58.89 -32.45 69.51 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.111 -0.993 . . . . 0.0 108.875 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.68 -40.57 88.6 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.416 -0.803 . . . . 0.0 109.715 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.23 -34.15 70.11 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.118 -0.989 . . . . 0.0 109.438 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.9 tp -68.58 -34.34 75.63 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.131 -0.981 . . . . 0.0 108.95 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.411 ' O ' ' OG1' ' A' ' 19' ' ' THR . 64.1 m80 -76.89 -40.05 48.83 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.258 -0.901 . . . . 0.0 110.583 -179.574 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -76.15 -29.88 57.94 Favored 'General case' 0 C--N 1.295 -1.774 0 O-C-N 120.886 -1.134 . . . . 0.0 111.379 -178.015 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 50.8 mt -78.86 -29.6 44.62 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 120.636 -1.29 . . . . 0.0 110.933 -179.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.45 ' O ' ' CG ' ' A' ' 18' ' ' MET . 21.0 ttm -102.37 0.08 33.47 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 120.851 -1.156 . . . . 0.0 110.615 -178.683 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 15' ' ' HIS . 23.8 m -96.35 -22.7 17.03 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.033 -1.042 . . . . 0.0 109.551 179.544 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 166.8 -65.31 0.2 Allowed Glycine 0 N--CA 1.493 2.45 0 C-N-CA 119.675 -1.25 . . . . 0.0 110.006 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.475 ' H ' ' CD ' ' A' ' 21' ' ' LYS . 12.7 mptt -46.24 131.46 10.37 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.227 -1.16 . . . . 0.0 109.43 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -93.98 -13.58 26.85 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.335 -0.853 . . . . 0.0 110.221 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.2 p -121.61 147.77 25.4 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.356 0 O-C-N 121.391 -0.818 . . . . 0.0 111.047 -178.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -149.97 152.43 34.92 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 179.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 46.9 p -139.34 145.41 39.01 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.144 -0.972 . . . . 0.0 109.99 -179.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.8 m . . . . . 0 N--CA 1.498 1.937 0 O-C-N 121.25 -0.906 . . . . 0.0 108.683 178.731 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 . . . . . 0 N--CA 1.499 1.993 0 CA-C-O 121.554 0.692 . . . . 0.0 109.956 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -139.02 135.47 34.29 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 38' ' ' THR . 8.8 p -118.47 152.87 35.12 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.598 -0.689 . . . . 0.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.04 -18.56 0.05 Allowed 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.35 -0.844 . . . . 0.0 110.539 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.44 ' N ' ' O ' ' A' ' 36' ' ' THR . 6.8 m -70.89 -23.5 62.3 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.761 -1.212 . . . . 0.0 110.596 -179.097 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 41' ' ' SER . 99.5 p -112.59 16.2 19.81 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.052 -1.03 . . . . 0.0 109.88 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.7 p -49.58 -11.69 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.123 -0.986 . . . . 0.0 109.472 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 39' ' ' SER . 94.4 p -83.78 -52.58 6.28 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.041 -1.037 . . . . 0.0 110.626 -179.779 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.564 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 54.7 p30 -59.42 -24.32 63.38 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.829 -1.169 . . . . 0.0 109.646 -179.258 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.564 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 7.6 tp -74.76 -43.1 56.64 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 120.898 -1.126 . . . . 0.0 108.415 179.198 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.8 mttp -51.6 -34.67 38.31 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.002 -1.062 . . . . 0.0 109.011 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.5 mmpt? -69.72 -41.6 75.1 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.121 -0.987 . . . . 0.0 109.451 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.591 ' CZ ' HD11 ' A' ' 50' ' ' LEU . 35.9 t80 -58.72 -27.35 64.8 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.357 -0.839 . . . . 0.0 109.503 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 91.4 mt -80.24 -32.64 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.203 -0.936 . . . . 0.0 108.84 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.25 -45.37 56.28 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.314 -0.866 . . . . 0.0 110.289 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -62.4 -42.41 99.41 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.078 -1.014 . . . . 0.0 110.395 -179.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.591 HD11 ' CZ ' ' A' ' 46' ' ' TYR . 36.5 mt -61.91 -33.33 74.04 Favored 'General case' 0 N--CA 1.5 2.066 0 C-N-CA 118.702 -1.199 . . . . 0.0 109.438 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -65.51 -29.81 70.49 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.701 -1.25 . . . . 0.0 109.183 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 68.7 t -82.92 -20.28 9.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 120.997 -1.064 . . . . 0.0 109.579 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -91.63 -8.2 47.9 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.075 -1.016 . . . . 0.0 109.261 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.496 1.859 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 -179.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.441 ' CD ' ' N ' ' A' ' 5' ' ' GLU . 20.7 mp0 . . . . . 0 N--CA 1.5 2.072 0 CA-C-O 121.108 0.48 . . . . 0.0 110.27 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.406 ' OE2' HD13 ' A' ' 50' ' ' LEU . 1.0 OUTLIER -46.86 -30.27 2.41 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.237 -0.915 . . . . 0.0 109.92 -179.11 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 14.3 tp -60.32 -54.35 46.71 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.112 -0.993 . . . . 0.0 108.999 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.28 -32.36 37.01 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.461 -0.774 . . . . 0.0 110.257 -179.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.17 -39.5 71.85 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.096 -1.002 . . . . 0.0 110.138 -179.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.77 -38.27 90.47 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.169 -0.957 . . . . 0.0 110.011 -179.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -63.53 -39.4 94.33 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.123 -0.986 . . . . 0.0 109.316 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.92 -33.71 72.24 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.289 -0.882 . . . . 0.0 109.586 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.79 -41.78 95.57 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.221 -0.924 . . . . 0.0 109.524 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 21.5 tp -58.77 -34.69 71.71 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.079 -1.013 . . . . 0.0 108.9 179.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 77.0 m80 -76.74 -49.99 14.67 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.005 -1.06 . . . . 0.0 110.738 -179.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -67.23 -28.09 67.77 Favored 'General case' 0 C--N 1.295 -1.773 0 C-N-CA 119.018 -1.073 . . . . 0.0 111.426 -177.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 32.0 mt -77.79 -31.73 52.04 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 120.548 -1.345 . . . . 0.0 110.316 -179.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 5.3 tpt -103.73 -0.35 29.51 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 120.982 -1.074 . . . . 0.0 110.213 -179.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 51.3 m -96.62 -23.63 16.4 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.812 -1.18 . . . . 0.0 109.889 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 170.06 -78.4 0.1 OUTLIER Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.8 mtpm? -46.87 107.71 0.12 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.155 -1.203 . . . . 0.0 109.385 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 50.6 mtp180 -72.07 -15.22 62.01 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.363 -0.835 . . . . 0.0 110.266 -179.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 62.1 t -107.99 148.6 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.098 0 O-C-N 121.227 -0.921 . . . . 0.0 110.693 -178.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -152.11 152.88 32.9 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 179.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.8 m -140.96 140.17 34.36 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.019 -1.051 . . . . 0.0 110.178 -179.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.498 1.949 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.889 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 . . . . . 0 N--CA 1.496 1.838 0 CA-C-O 121.576 0.703 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -138.61 135.08 34.57 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 179.566 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.465 ' O ' ' N ' ' A' ' 38' ' ' THR . 6.9 p -119.51 153.62 35.07 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.508 -0.745 . . . . 0.0 109.214 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.51 -17.87 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.326 -0.859 . . . . 0.0 110.762 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.465 ' N ' ' O ' ' A' ' 36' ' ' THR . 3.3 p -68.51 -23.45 64.54 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.682 -1.261 . . . . 0.0 110.27 -179.421 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.523 ' O ' ' N ' ' A' ' 41' ' ' SER . 96.7 p -113.82 16.52 18.43 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 121.172 -0.955 . . . . 0.0 110.188 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.6 p -48.22 -11.96 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 121.035 -1.041 . . . . 0.0 109.692 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.523 ' N ' ' O ' ' A' ' 39' ' ' SER . 45.3 t -83.87 -52.7 6.15 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.879 -1.138 . . . . 0.0 110.762 -179.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.549 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 43.5 p-10 -61.14 -24.49 66.31 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.875 -1.14 . . . . 0.0 109.829 -179.237 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.549 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 8.2 tp -74.12 -42.86 59.37 Favored 'General case' 0 N--CA 1.486 1.333 0 O-C-N 120.819 -1.176 . . . . 0.0 108.398 179.076 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.3 mttp -51.65 -36.27 45.48 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.017 -1.052 . . . . 0.0 108.705 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.6 tttm -66.98 -45.09 78.73 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.316 -0.865 . . . . 0.0 109.489 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.52 ' CZ ' HD11 ' A' ' 50' ' ' LEU . 38.8 t80 -55.7 -29.25 59.09 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.478 -0.764 . . . . 0.0 109.547 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 86.0 mt -78.95 -34.22 16.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.253 -0.904 . . . . 0.0 109.28 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.89 -37.27 64.74 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.219 -0.926 . . . . 0.0 110.083 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -68.16 -34.43 76.3 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.175 -0.953 . . . . 0.0 110.582 -179.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.52 HD11 ' CZ ' ' A' ' 46' ' ' TYR . 60.3 mt -71.95 -31.98 66.84 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 120.627 -1.296 . . . . 0.0 109.38 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -67.3 -29.09 68.59 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.805 -1.184 . . . . 0.0 109.461 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 69.5 t -82.03 -20.78 10.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 120.964 -1.085 . . . . 0.0 109.992 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 19.9 mm100 -92.02 -8.28 46.45 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.084 -1.01 . . . . 0.0 109.082 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.496 1.834 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.401 ' N ' ' CD ' ' A' ' 5' ' ' GLU . 9.3 mp0 . . . . . 0 N--CA 1.498 1.951 0 CA-C-O 121.221 0.534 . . . . 0.0 109.777 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.416 ' OE2' ' N ' ' A' ' 7' ' ' LEU . 1.7 pp20? -49.12 -39.52 28.75 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.29 -0.881 . . . . 0.0 110.235 -179.58 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.605 ' O ' HD23 ' A' ' 7' ' ' LEU . 5.3 tt -51.56 -49.11 62.68 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.972 -1.08 . . . . 0.0 108.868 179.358 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.38 -37.12 69.65 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.465 -0.772 . . . . 0.0 110.61 -179.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.83 -34.3 60.11 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.885 -1.134 . . . . 0.0 111.002 -178.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.95 -49.13 77.34 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.964 -1.085 . . . . 0.0 110.501 -179.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 -62.73 -36.34 82.7 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 120.886 -1.134 . . . . 0.0 108.698 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.48 -30.24 60.23 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 178.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.39 -43.83 84.78 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 179.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.3 tp -51.9 -33.68 38.01 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.273 -0.892 . . . . 0.0 108.91 179.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.501 ' CD2' ' OG1' ' A' ' 19' ' ' THR . 39.0 t-80 -76.47 -51.25 12.13 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.121 -0.987 . . . . 0.0 110.962 -179.289 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -65.55 -28.57 69.26 Favored 'General case' 0 C--N 1.293 -1.849 0 O-C-N 120.941 -1.099 . . . . 0.0 111.473 -177.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.485 ' O ' ' NH2' ' A' ' 22' ' ' ARG . 41.1 mt -77.92 -32.22 51.51 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 120.575 -1.328 . . . . 0.0 110.483 -179.313 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 2.2 tpt -104.99 -5.31 21.09 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 120.848 -1.158 . . . . 0.0 110.571 -179.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.501 ' OG1' ' CD2' ' A' ' 15' ' ' HIS . 84.6 m -91.25 -23.38 20.2 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.64 -1.287 . . . . 0.0 110.153 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.527 ' O ' ' NE ' ' A' ' 22' ' ' ARG . . . 173.87 -79.3 0.08 OUTLIER Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.833 -1.307 . . . . 0.0 109.833 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 45.1 mttm -46.97 133.45 11.18 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.239 -1.153 . . . . 0.0 109.412 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.527 ' NE ' ' O ' ' A' ' 20' ' ' GLY . 3.6 mmp_? -92.56 -15.05 27.43 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.243 -0.91 . . . . 0.0 109.896 -179.58 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.6 t -110.74 149.48 13.57 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.012 0 O-C-N 121.39 -0.819 . . . . 0.0 110.56 -179.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.62 152.87 33.43 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 179.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 22.0 p -139.33 146.42 40.26 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.146 -0.971 . . . . 0.0 110.025 -179.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.4 m . . . . . 0 N--CA 1.498 1.941 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 178.813 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.477 ' CD ' ' N ' ' A' ' 34' ' ' GLU . 4.2 mp0 . . . . . 0 N--CA 1.497 1.924 0 CA-C-O 121.632 0.729 . . . . 0.0 110.294 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -140.68 134.82 30.93 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 179.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.461 ' O ' ' N ' ' A' ' 38' ' ' THR . 6.9 p -120.09 153.46 36.08 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.582 -0.699 . . . . 0.0 109.121 179.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.63 -17.84 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.251 -0.906 . . . . 0.0 110.665 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 36' ' ' THR . 3.0 p -68.13 -23.39 64.89 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.73 -1.231 . . . . 0.0 110.078 -179.398 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.523 ' O ' ' N ' ' A' ' 41' ' ' SER . 96.5 p -114.11 16.79 18.05 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.166 -0.959 . . . . 0.0 110.262 -179.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.2 p -49.03 -10.9 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 120.897 -1.127 . . . . 0.0 109.537 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.523 ' N ' ' O ' ' A' ' 39' ' ' SER . 47.7 t -83.85 -52.44 6.37 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.042 -1.036 . . . . 0.0 110.635 -179.663 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.552 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 41.9 p-10 -61.95 -26.54 68.26 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.795 -1.19 . . . . 0.0 109.971 -179.118 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.552 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 6.9 tp -73.75 -39.57 64.13 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 120.771 -1.206 . . . . 0.0 107.95 178.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -52.18 -36.35 51.51 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.479 -0.763 . . . . 0.0 108.954 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -75.5 -30.78 59.95 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.23 -0.919 . . . . 0.0 110.377 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.472 ' CZ ' HD11 ' A' ' 50' ' ' LEU . 36.0 t80 -65.16 -30.5 71.42 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.062 -1.024 . . . . 0.0 109.968 -179.407 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 97.3 mt -80.47 -32.71 13.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 121.056 -1.028 . . . . 0.0 108.903 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.18 -42.02 60.54 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.325 -0.86 . . . . 0.0 109.912 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -64.48 -34.94 79.38 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.197 -0.939 . . . . 0.0 110.484 -179.081 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.472 HD11 ' CZ ' ' A' ' 46' ' ' TYR . 55.1 mt -71.39 -32.51 68.52 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.71 -1.244 . . . . 0.0 109.492 -179.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -64.73 -29.4 70.38 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.807 -1.183 . . . . 0.0 109.059 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 70.4 t -82.65 -20.32 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.153 -0.967 . . . . 0.0 110.331 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 -92.01 -9.37 43.11 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.752 -1.217 . . . . 0.0 109.261 -179.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.494 1.737 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.456 ' CD ' ' N ' ' A' ' 5' ' ' GLU . 12.3 mp0 . . . . . 0 N--CA 1.505 2.294 0 CA-C-O 120.915 0.388 . . . . 0.0 111.619 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -69.33 -40.41 77.6 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.699 -1.251 . . . . 0.0 109.888 -178.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.5 tp -51.22 -52.33 45.54 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.035 -1.041 . . . . 0.0 108.569 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.66 -40.92 63.33 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.397 -0.814 . . . . 0.0 109.821 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.64 -33.67 75.5 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.306 -0.871 . . . . 0.0 110.028 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.36 -41.62 76.31 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.056 -1.028 . . . . 0.0 110.067 -179.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 56.4 mtp180 -61.69 -35.76 78.93 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.058 -1.026 . . . . 0.0 109.004 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.4 ' O ' ' OD2' ' A' ' 16' ' ' ASP . . . -64.13 -33.5 75.91 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.526 -0.734 . . . . 0.0 109.5 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.65 -35.98 82.78 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.162 -0.961 . . . . 0.0 109.27 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.6 tp -65.04 -36.0 82.96 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.132 -0.98 . . . . 0.0 108.862 179.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.438 ' O ' ' OG1' ' A' ' 19' ' ' THR . 80.9 m80 -76.86 -48.7 17.61 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.966 -1.084 . . . . 0.0 110.596 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.4 ' OD2' ' O ' ' A' ' 12' ' ' ALA . 23.0 m-20 -66.48 -29.02 69.05 Favored 'General case' 0 C--N 1.292 -1.898 0 O-C-N 121.118 -0.989 . . . . 0.0 111.472 -177.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 35.3 mt -78.52 -32.27 47.94 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 120.582 -1.324 . . . . 0.0 110.415 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 6.5 tpt -103.85 -0.12 29.56 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.036 -1.04 . . . . 0.0 110.371 -178.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.438 ' OG1' ' O ' ' A' ' 15' ' ' HIS . 27.9 m -92.86 -23.82 18.68 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.838 -1.164 . . . . 0.0 109.709 179.637 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 175.94 -81.65 0.07 OUTLIER Glycine 0 N--CA 1.49 2.256 0 C-N-CA 119.558 -1.306 . . . . 0.0 110.117 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.1 mttp -49.97 137.68 16.6 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.254 -1.145 . . . . 0.0 109.206 -179.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 63.4 mtm180 -93.19 -14.65 26.86 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.377 -0.827 . . . . 0.0 110.268 -179.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 41.6 t -107.47 149.7 10.65 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.178 0 O-C-N 121.185 -0.947 . . . . 0.0 111.136 -178.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.7 153.05 33.61 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 178.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.6 p -136.61 144.05 43.89 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.12 -0.987 . . . . 0.0 110.314 -179.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.2 m . . . . . 0 N--CA 1.496 1.847 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 178.39 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 . . . . . 0 N--CA 1.499 1.976 0 CA-C-O 121.585 0.707 . . . . 0.0 110.523 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -137.91 135.21 35.88 Favored 'General case' 0 N--CA 1.496 1.825 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 179.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 38' ' ' THR . 7.7 p -118.87 153.93 33.74 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.506 -0.746 . . . . 0.0 109.443 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.69 -18.75 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.38 -0.825 . . . . 0.0 110.78 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 36' ' ' THR . 6.7 m -71.05 -22.4 62.13 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.714 -1.241 . . . . 0.0 110.626 -179.175 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.401 ' C ' ' N ' ' A' ' 41' ' ' SER . 86.9 p -114.37 17.71 17.33 Favored 'General case' 0 N--CA 1.505 2.283 0 O-C-N 121.177 -0.952 . . . . 0.0 109.911 -179.658 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.1 p -51.42 -12.0 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 121.346 -0.847 . . . . 0.0 110.04 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.401 ' N ' ' C ' ' A' ' 39' ' ' SER . 48.7 m -83.76 -52.88 6.03 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.766 -1.208 . . . . 0.0 110.827 -179.634 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' A' ' 42' ' ' ASP . 0.0 OUTLIER -59.28 -23.31 62.29 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.834 -1.166 . . . . 0.0 109.174 -179.306 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.1 tp -75.19 -40.79 59.02 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 120.793 -1.192 . . . . 0.0 108.001 178.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.2 mttm -51.39 -36.53 43.89 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.185 -0.947 . . . . 0.0 108.825 179.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -69.62 -45.39 68.64 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.122 -0.986 . . . . 0.0 109.652 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.534 ' CZ ' HD11 ' A' ' 50' ' ' LEU . 46.7 t80 -53.83 -28.66 36.94 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.359 -0.838 . . . . 0.0 109.565 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 91.4 mt -78.22 -33.19 17.54 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.243 -0.911 . . . . 0.0 109.161 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.92 -41.9 61.42 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.262 -0.899 . . . . 0.0 109.992 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -64.19 -33.7 76.39 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.212 -0.93 . . . . 0.0 110.588 -178.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.534 HD11 ' CZ ' ' A' ' 46' ' ' TYR . 59.3 mt -72.89 -32.55 65.45 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 120.703 -1.248 . . . . 0.0 109.477 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -63.83 -29.49 70.68 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.728 -1.233 . . . . 0.0 108.833 179.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 77.1 t -82.81 -20.5 9.62 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.147 -0.97 . . . . 0.0 109.738 179.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -92.47 -8.37 44.84 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.061 -1.024 . . . . 0.0 109.587 -179.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.496 1.874 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 -179.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 . . . . . 0 N--CA 1.501 2.084 0 CA-C-O 121.132 0.491 . . . . 0.0 109.896 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.632 ' CD ' ' H ' ' A' ' 6' ' ' GLU . 2.0 pm0 -47.47 -33.09 5.79 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.115 -0.99 . . . . 0.0 109.679 -179.197 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 14.0 tp -55.95 -54.56 43.26 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.159 -0.963 . . . . 0.0 108.692 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.97 -33.59 38.51 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.47 -0.769 . . . . 0.0 110.235 -179.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.5 -34.96 76.81 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.119 -0.988 . . . . 0.0 110.078 -179.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.88 -39.68 79.64 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.122 -0.986 . . . . 0.0 109.954 -179.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -63.07 -35.03 78.88 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.157 -0.964 . . . . 0.0 109.101 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.69 -35.04 79.74 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.423 -0.798 . . . . 0.0 109.654 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.35 -38.52 91.46 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.053 -1.03 . . . . 0.0 109.423 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.0 tp -65.1 -34.75 79.16 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.096 -1.002 . . . . 0.0 108.806 179.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 15.2 t-80 -76.21 -38.73 56.07 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.197 -0.94 . . . . 0.0 110.451 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -77.26 -35.19 55.48 Favored 'General case' 0 C--N 1.296 -1.739 0 O-C-N 120.962 -1.087 . . . . 0.0 111.38 -178.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 53.8 mt -72.98 -29.41 63.03 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 120.724 -1.235 . . . . 0.0 110.702 -179.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.459 ' O ' ' CG ' ' A' ' 18' ' ' MET . 19.6 ttm -102.32 0.87 34.87 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 120.96 -1.087 . . . . 0.0 110.571 -178.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.5 m -94.47 -23.96 17.51 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.904 -1.123 . . . . 0.0 109.492 179.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 172.62 -79.42 0.08 OUTLIER Glycine 0 N--CA 1.491 2.341 0 C-N-CA 119.512 -1.327 . . . . 0.0 110.255 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.1 mtpt -47.21 137.82 7.67 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.161 -1.2 . . . . 0.0 109.468 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.03 -15.49 26.1 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.363 -0.835 . . . . 0.0 110.02 -179.538 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.2 p -109.0 148.89 12.52 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.203 0 CA-C-O 121.872 0.844 . . . . 0.0 111.495 -177.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.92 153.45 34.14 Favored 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 179.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.5 m -138.46 144.45 40.09 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.096 -1.002 . . . . 0.0 110.14 -179.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.7 m . . . . . 0 N--CA 1.498 1.954 0 O-C-N 121.196 -0.94 . . . . 0.0 108.88 178.954 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 . . . . . 0 N--CA 1.496 1.855 0 CA-C-O 121.553 0.692 . . . . 0.0 110.081 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -136.27 136.02 39.47 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 179.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 38' ' ' THR . 8.3 p -118.16 152.73 35.08 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.587 -0.695 . . . . 0.0 109.225 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.96 -18.0 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.4 -0.813 . . . . 0.0 110.64 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 36' ' ' THR . 3.8 p -70.19 -23.65 62.99 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.668 -1.27 . . . . 0.0 110.352 -179.179 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.506 ' O ' ' N ' ' A' ' 41' ' ' SER . 94.2 p -112.32 16.12 20.1 Favored 'General case' 0 N--CA 1.503 2.214 0 O-C-N 121.181 -0.949 . . . . 0.0 109.872 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.0 p -48.95 -11.66 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.127 -0.983 . . . . 0.0 109.638 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.506 ' N ' ' O ' ' A' ' 39' ' ' SER . 47.7 t -84.45 -52.86 5.84 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.926 -1.109 . . . . 0.0 110.625 -179.728 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.556 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 46.2 p-10 -59.88 -24.71 64.49 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.87 -1.144 . . . . 0.0 109.639 -179.286 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.556 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 7.4 tp -74.64 -42.39 58.64 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.949 -1.095 . . . . 0.0 108.452 179.077 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.1 mttp -51.55 -34.44 36.65 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.061 -1.024 . . . . 0.0 108.926 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.6 ttpm? -70.61 -44.16 67.84 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.118 -0.989 . . . . 0.0 109.555 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.582 ' CZ ' HD11 ' A' ' 50' ' ' LEU . 32.0 t80 -55.16 -27.54 46.41 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.322 -0.861 . . . . 0.0 109.468 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 89.0 mt -79.37 -32.54 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.156 -0.965 . . . . 0.0 108.831 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.18 -48.21 37.19 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.378 -0.826 . . . . 0.0 110.275 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -58.87 -42.43 89.44 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.093 -1.004 . . . . 0.0 110.295 -179.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.582 HD11 ' CZ ' ' A' ' 46' ' ' TYR . 41.6 mt -62.58 -32.37 73.34 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 120.723 -1.236 . . . . 0.0 109.254 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -64.14 -29.99 71.08 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.805 -1.184 . . . . 0.0 109.467 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 71.5 t -82.91 -20.79 9.37 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 O-C-N 120.907 -1.121 . . . . 0.0 110.068 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 48.0 mm-40 -92.47 -8.42 44.7 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.887 -1.133 . . . . 0.0 109.474 -179.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.496 1.833 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 -179.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 . . . . . 0 N--CA 1.502 2.139 0 CA-C-O 121.127 0.489 . . . . 0.0 109.949 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -47.15 -33.16 4.9 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.177 -0.952 . . . . 0.0 110.035 -179.093 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.9 tp -58.15 -54.6 45.12 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.163 -0.961 . . . . 0.0 108.995 179.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.49 -33.84 46.68 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.408 -0.807 . . . . 0.0 110.334 -179.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.75 -35.53 77.22 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.058 -1.026 . . . . 0.0 110.146 -179.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.68 -40.4 84.4 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.119 -0.988 . . . . 0.0 109.885 -179.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 66.9 mtm180 -60.92 -35.76 77.55 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.192 -0.942 . . . . 0.0 109.236 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.86 -39.29 93.98 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.403 -0.811 . . . . 0.0 109.621 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.75 -39.77 81.92 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.127 -0.983 . . . . 0.0 109.333 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.9 tp -61.49 -33.76 74.33 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.033 -1.042 . . . . 0.0 108.675 179.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -76.61 -40.9 48.02 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.269 -0.894 . . . . 0.0 110.775 -179.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -76.47 -31.08 57.57 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 120.947 -1.096 . . . . 0.0 111.471 -178.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 75.3 mt -77.65 -28.34 51.26 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 120.612 -1.305 . . . . 0.0 110.852 -178.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.437 ' O ' ' CG ' ' A' ' 18' ' ' MET . 21.3 ttm -102.7 0.06 32.47 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 120.841 -1.162 . . . . 0.0 110.516 -179.27 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.2 m -96.94 -23.28 16.39 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.051 -1.031 . . . . 0.0 109.698 179.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 166.71 -73.2 0.16 Allowed Glycine 0 N--CA 1.492 2.386 0 C-N-CA 119.614 -1.279 . . . . 0.0 109.98 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.4 mmmt -44.93 129.88 7.34 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.304 -1.115 . . . . 0.0 109.226 -179.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.558 HH11 ' CG ' ' A' ' 22' ' ' ARG . 0.2 OUTLIER -92.92 -14.85 27.05 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.253 -0.905 . . . . 0.0 110.26 -179.289 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 98.1 t -113.01 147.98 16.28 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.155 0 O-C-N 121.262 -0.899 . . . . 0.0 110.487 -178.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.32 152.06 32.64 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 179.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.5 p -122.39 156.01 34.86 Favored 'General case' 0 N--CA 1.503 2.224 0 O-C-N 121.406 -0.809 . . . . 0.0 109.846 -179.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.9 t . . . . . 0 N--CA 1.499 1.98 0 O-C-N 121.257 -0.902 . . . . 0.0 108.933 179.099 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 . . . . . 0 N--CA 1.499 2.002 0 CA-C-O 121.799 0.809 . . . . 0.0 110.647 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -140.53 135.78 32.22 Favored 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 38' ' ' THR . 5.9 p -118.71 153.44 34.38 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.528 -0.733 . . . . 0.0 109.226 179.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.27 -18.01 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.324 -0.86 . . . . 0.0 110.761 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.463 ' N ' ' O ' ' A' ' 36' ' ' THR . 3.4 p -69.54 -23.49 63.58 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.727 -1.233 . . . . 0.0 110.194 -179.331 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.439 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 91.3 p -112.71 16.74 19.53 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.212 -0.93 . . . . 0.0 110.099 -179.572 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.0 p -50.54 -12.77 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 121.002 -1.061 . . . . 0.0 109.638 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 39' ' ' SER . 44.8 t -85.28 -52.89 5.58 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.918 -1.114 . . . . 0.0 110.581 -179.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.544 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 28.0 p-10 -60.08 -23.8 64.09 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.884 -1.135 . . . . 0.0 109.43 -179.389 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.544 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 8.9 tp -74.28 -42.18 60.01 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 120.941 -1.099 . . . . 0.0 108.113 179.027 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 38.5 mttm -51.52 -36.49 44.99 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.11 -0.994 . . . . 0.0 108.897 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -70.99 -45.75 63.47 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.108 -0.995 . . . . 0.0 109.91 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -53.82 -29.19 39.62 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.245 -0.909 . . . . 0.0 109.263 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 86.7 mt -78.87 -32.75 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.234 -0.916 . . . . 0.0 108.923 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.9 -38.67 64.28 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.336 -0.853 . . . . 0.0 109.915 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -66.82 -34.77 78.55 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.194 -0.941 . . . . 0.0 110.491 -179.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 50' ' ' LEU . 47.7 mt -71.61 -32.11 67.65 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 120.718 -1.239 . . . . 0.0 109.427 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -66.35 -29.33 69.49 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.825 -1.172 . . . . 0.0 109.279 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 70.5 t -82.03 -20.88 10.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.003 -1.061 . . . . 0.0 109.825 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -91.49 -8.53 47.4 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.984 -1.072 . . . . 0.0 108.852 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.495 1.796 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.2 mmm . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.6 m -144.01 83.78 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 O-C-N 121.237 -0.914 . . . . 0.0 109.623 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.418 ' N ' ' CD ' ' A' ' 3' ' ' ARG . 10.5 mpt_? -78.24 13.44 1.5 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.903 -1.123 . . . . 0.0 108.732 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -43.52 -38.75 3.06 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.543 -0.723 . . . . 0.0 110.897 -179.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.466 ' N ' ' CD ' ' A' ' 5' ' ' GLU . 17.3 mp0 -74.68 -75.4 0.16 Allowed 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.793 -1.192 . . . . 0.0 110.345 -179.187 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -47.3 -33.19 5.38 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.062 -1.024 . . . . 0.0 109.868 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.9 tp -56.12 -54.55 43.71 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.08 -1.012 . . . . 0.0 108.892 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.409 ' HA ' ' HE ' ' A' ' 11' ' ' ARG . . . -53.49 -31.15 44.67 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.469 -0.769 . . . . 0.0 110.252 -179.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.88 -37.77 73.05 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.095 -1.003 . . . . 0.0 110.163 -179.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.54 -41.85 92.58 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.092 -1.005 . . . . 0.0 109.858 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.409 ' HE ' ' HA ' ' A' ' 8' ' ' ALA . 72.0 mtm180 -58.76 -38.08 77.68 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.158 -0.964 . . . . 0.0 109.153 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.2 -39.74 87.6 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.416 -0.802 . . . . 0.0 109.615 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.23 -39.85 80.17 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.179 -0.951 . . . . 0.0 109.38 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 24.6 tp -61.14 -33.43 73.39 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.103 -0.998 . . . . 0.0 108.86 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.402 ' O ' ' OG1' ' A' ' 19' ' ' THR . 60.3 t-80 -75.68 -41.15 54.57 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.281 -0.887 . . . . 0.0 110.831 -179.431 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -76.27 -37.65 57.28 Favored 'General case' 0 C--N 1.297 -1.688 0 O-C-N 120.825 -1.172 . . . . 0.0 111.459 -178.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 72.5 mt -69.82 -29.11 66.31 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.672 -1.267 . . . . 0.0 110.908 -178.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.432 ' CG ' ' O ' ' A' ' 18' ' ' MET . 21.4 ttm -102.36 0.26 33.78 Favored 'General case' 0 N--CA 1.502 2.133 0 O-C-N 120.863 -1.148 . . . . 0.0 110.497 -179.177 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 15' ' ' HIS . 15.8 m -96.83 -23.19 16.49 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.063 -1.023 . . . . 0.0 109.596 179.577 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 165.67 -71.26 0.18 Allowed Glycine 0 N--CA 1.491 2.361 0 C-N-CA 119.562 -1.304 . . . . 0.0 110.083 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 42.3 mttp -45.69 130.39 9.12 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.264 -1.139 . . . . 0.0 109.672 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -92.48 -15.11 27.51 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.317 -0.864 . . . . 0.0 110.06 -179.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.4 p -111.57 145.34 17.89 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.289 0 O-C-N 121.485 -0.759 . . . . 0.0 110.55 -179.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.93 132.34 13.77 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 179.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.7 p -107.83 156.01 19.62 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.339 -0.85 . . . . 0.0 109.764 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.5 t -139.88 134.36 37.32 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 O-C-N 121.27 -0.894 . . . . 0.0 108.8 178.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -88.24 103.42 15.77 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.239 -0.913 . . . . 0.0 109.316 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.431 ' NZ ' ' CB ' ' A' ' 28' ' ' LYS . 5.9 mtmp? -130.94 121.11 24.58 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.482 -0.761 . . . . 0.0 108.958 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.528 ' O ' ' N ' ' A' ' 31' ' ' ARG . 3.2 m-20 53.06 57.25 6.5 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.313 -0.867 . . . . 0.0 109.934 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 47.4 11.03 0.07 OUTLIER Glycine 0 N--CA 1.491 2.353 0 N-CA-C 110.337 -1.105 . . . . 0.0 110.337 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.528 ' N ' ' O ' ' A' ' 29' ' ' ASP . 68.8 mtm180 -114.77 130.01 56.78 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.079 -1.248 . . . . 0.0 109.654 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -99.17 134.22 42.33 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 178.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 44.7 t -127.73 144.29 38.03 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.302 0 O-C-N 121.152 -0.967 . . . . 0.0 109.253 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.477 ' N ' ' CD ' ' A' ' 34' ' ' GLU . 3.1 mp0 -100.83 153.58 19.36 Favored 'General case' 0 N--CA 1.497 1.919 0 CA-C-O 121.793 0.806 . . . . 0.0 110.875 -178.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -141.21 136.32 31.63 Favored 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 38' ' ' THR . 9.3 p -117.87 153.03 34.22 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.461 -0.775 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.81 -18.75 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.412 -0.805 . . . . 0.0 110.604 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 36' ' ' THR . 6.4 m -69.51 -23.79 63.66 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 120.715 -1.24 . . . . 0.0 110.346 -179.341 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 41' ' ' SER . 88.4 p -111.25 16.24 21.06 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.207 -0.933 . . . . 0.0 110.053 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.7 p -50.64 -12.45 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.06 -1.025 . . . . 0.0 109.353 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 39' ' ' SER . 90.1 p -84.99 -52.85 5.69 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.958 -1.089 . . . . 0.0 110.608 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.542 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 28.6 p-10 -60.69 -23.82 65.15 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.852 -1.155 . . . . 0.0 109.437 -179.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.542 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 7.8 tp -74.0 -41.56 61.7 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 120.889 -1.132 . . . . 0.0 107.969 178.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 41.3 mttm -51.37 -37.16 46.67 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.109 -0.994 . . . . 0.0 108.798 179.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.4 ttmm -70.31 -45.86 65.41 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.159 -0.963 . . . . 0.0 109.809 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -53.09 -28.84 27.18 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.328 -0.858 . . . . 0.0 109.33 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 88.7 mt -79.51 -33.47 15.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.236 -0.915 . . . . 0.0 109.11 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.17 -37.04 64.1 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.306 -0.871 . . . . 0.0 109.949 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -68.37 -33.86 75.02 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.156 -0.965 . . . . 0.0 110.325 -179.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 50' ' ' LEU . 48.7 mt -72.07 -32.27 66.9 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 120.719 -1.238 . . . . 0.0 109.232 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -66.54 -29.42 69.5 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.838 -1.164 . . . . 0.0 109.23 179.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 71.2 t -82.37 -20.47 10.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.054 -1.029 . . . . 0.0 109.662 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -92.01 -8.13 46.93 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.124 -0.985 . . . . 0.0 109.232 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -122.01 -16.53 7.51 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -73.64 -168.84 16.59 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.272 -1.531 . . . . 0.0 109.272 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 12.4 mmt -139.03 63.11 1.52 Allowed 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.025 -1.279 . . . . 0.0 109.181 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.4 t -153.9 -162.48 1.44 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.29 -0.881 . . . . 0.0 109.405 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.408 ' C ' ' H ' ' A' ' 60' ' ' ARG . 5.3 tp-100 -172.21 -27.0 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.563 -0.71 . . . . 0.0 109.344 178.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.637 HH21 ' NH2' ' A' ' 61' ' ' ARG . 49.9 mtp180 -56.49 -8.93 0.61 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.257 -0.902 . . . . 0.0 109.459 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.408 ' H ' ' C ' ' A' ' 58' ' ' GLN . 27.2 ttp180 68.77 -36.36 0.33 Allowed 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.542 -0.724 . . . . 0.0 109.845 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.637 ' NH2' HH21 ' A' ' 59' ' ' ARG . 86.2 mtm180 -72.61 -2.13 18.81 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.12 -0.987 . . . . 0.0 109.475 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.307 0 CA-C-O 117.971 -1.46 . . . . 0.0 109.518 179.954 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.628 ' H2 ' ' NH1' ' A' ' 3' ' ' ARG . 18.2 ptt? . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.482 ' C ' ' H ' ' A' ' 4' ' ' GLN . 2.3 m -143.83 85.85 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.256 -0.903 . . . . 0.0 109.235 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.628 ' NH1' ' H2 ' ' A' ' 1' ' ' MET . 10.3 mpt_? -70.89 12.12 0.31 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.881 -1.137 . . . . 0.0 109.369 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.482 ' H ' ' C ' ' A' ' 2' ' ' VAL . 83.3 mt-30 -43.54 -37.47 2.49 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.415 -0.803 . . . . 0.0 110.934 -179.632 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -76.87 -74.66 0.23 Allowed 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.773 -1.205 . . . . 0.0 109.772 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -46.98 -32.56 3.98 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.095 -1.003 . . . . 0.0 109.845 -179.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 14.0 tp -57.43 -54.55 45.56 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.101 -0.999 . . . . 0.0 108.866 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.19 -30.56 38.17 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.309 -0.869 . . . . 0.0 110.16 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.47 -35.65 70.91 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.157 -0.964 . . . . 0.0 110.107 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.84 -40.52 83.69 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.115 -0.991 . . . . 0.0 109.888 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.54 -35.08 76.74 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.098 -1.001 . . . . 0.0 109.069 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.12 -39.18 93.49 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.491 -0.756 . . . . 0.0 109.523 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.92 -39.45 78.02 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.159 -0.963 . . . . 0.0 109.191 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.7 tp -64.41 -33.53 76.07 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.129 -0.982 . . . . 0.0 108.738 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.429 ' O ' ' OG1' ' A' ' 19' ' ' THR . 83.0 t60 -75.86 -41.7 51.59 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.3 -0.875 . . . . 0.0 110.703 -179.448 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -75.92 -37.5 58.68 Favored 'General case' 0 C--N 1.296 -1.749 0 O-C-N 120.915 -1.115 . . . . 0.0 111.339 -178.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 51.4 mt -69.21 -29.7 67.72 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.765 -1.209 . . . . 0.0 110.732 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.451 ' CG ' ' O ' ' A' ' 18' ' ' MET . 21.3 ttm -103.0 0.12 31.67 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 120.98 -1.075 . . . . 0.0 110.83 -178.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.429 ' OG1' ' O ' ' A' ' 15' ' ' HIS . 18.4 m -97.61 -23.2 16.09 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.967 -1.083 . . . . 0.0 109.716 179.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 170.35 -72.8 0.12 Allowed Glycine 0 N--CA 1.492 2.403 0 C-N-CA 119.482 -1.342 . . . . 0.0 109.983 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -46.0 132.19 9.48 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.177 -1.19 . . . . 0.0 109.581 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.7 ptt180 -93.22 -14.63 26.84 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.297 -0.877 . . . . 0.0 110.125 -179.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 p -115.93 148.76 18.44 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.212 0 CA-C-O 121.79 0.805 . . . . 0.0 110.997 -178.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.22 152.83 33.83 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.6 m -139.83 144.93 37.55 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 121.144 -0.973 . . . . 0.0 109.981 -179.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.2 m -144.79 173.9 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 O-C-N 121.227 -0.921 . . . . 0.0 108.982 179.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -105.83 121.7 44.59 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.401 -0.812 . . . . 0.0 109.102 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.409 ' HZ3' ' HE2' ' A' ' 35' ' ' PHE . 28.1 mtmt -133.04 114.92 14.51 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.542 -0.724 . . . . 0.0 109.128 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' A' ' 31' ' ' ARG . 0.5 OUTLIER 53.55 58.12 5.47 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.282 -0.886 . . . . 0.0 109.928 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 49.67 7.07 0.09 OUTLIER Glycine 0 N--CA 1.492 2.395 0 N-CA-C 110.336 -1.105 . . . . 0.0 110.336 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.523 ' N ' ' O ' ' A' ' 29' ' ' ASP . 12.3 tpp180 -113.07 135.6 53.62 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.053 -1.263 . . . . 0.0 109.693 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -99.13 134.28 42.21 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.548 -0.72 . . . . 0.0 109.261 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 57.3 t -137.82 142.99 34.7 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.006 0 O-C-N 121.354 -0.841 . . . . 0.0 109.374 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -97.79 155.26 17.12 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.584 -0.697 . . . . 0.0 109.969 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.409 ' HE2' ' HZ3' ' A' ' 28' ' ' LYS . 29.0 m-85 -136.81 135.92 38.38 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 38' ' ' THR . 8.1 p -118.49 152.69 35.47 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.591 -0.693 . . . . 0.0 109.172 179.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.85 -18.63 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.359 -0.838 . . . . 0.0 110.723 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 36' ' ' THR . 6.4 m -69.96 -23.31 63.15 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.721 -1.237 . . . . 0.0 110.597 -179.167 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.502 ' O ' ' N ' ' A' ' 41' ' ' SER . 98.7 p -113.05 16.21 19.36 Favored 'General case' 0 N--CA 1.505 2.292 0 O-C-N 121.147 -0.97 . . . . 0.0 109.96 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.5 p -48.61 -12.11 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.082 -1.011 . . . . 0.0 109.694 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.502 ' N ' ' O ' ' A' ' 39' ' ' SER . 91.5 p -84.14 -52.76 6.01 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.931 -1.106 . . . . 0.0 110.635 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.561 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 52.3 p-10 -59.16 -24.26 62.89 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.864 -1.147 . . . . 0.0 109.496 -179.241 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.561 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 7.9 tp -74.4 -41.29 61.19 Favored 'General case' 0 N--CA 1.486 1.327 0 O-C-N 120.86 -1.15 . . . . 0.0 108.137 178.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.3 mttm -51.53 -35.8 42.19 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.13 -0.981 . . . . 0.0 108.822 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -71.35 -45.61 62.5 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.154 -0.966 . . . . 0.0 109.683 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -53.47 -28.95 33.31 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.193 -0.942 . . . . 0.0 109.376 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 84.8 mt -78.05 -32.76 17.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.223 -0.923 . . . . 0.0 109.132 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.89 -38.37 64.4 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.293 -0.879 . . . . 0.0 110.008 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -67.27 -33.95 76.4 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.204 -0.935 . . . . 0.0 110.531 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 50' ' ' LEU . 49.8 mt -72.16 -32.06 66.51 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 120.678 -1.264 . . . . 0.0 109.365 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -66.83 -29.07 68.89 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.847 -1.158 . . . . 0.0 109.268 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 70.3 t -82.09 -20.65 10.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.025 -1.047 . . . . 0.0 109.958 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -91.12 -9.23 46.35 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.955 -1.09 . . . . 0.0 108.973 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -124.51 -20.16 5.22 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -53.16 175.52 0.23 Allowed Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.701 -1.36 . . . . 0.0 109.701 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 47.2 mtt -155.39 67.5 0.65 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.096 -1.237 . . . . 0.0 109.082 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.9 t -62.5 -164.51 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.027 -1.045 . . . . 0.0 109.125 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -174.36 104.56 0.1 Allowed 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.64 -0.662 . . . . 0.0 109.291 178.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.566 ' CG ' HH11 ' A' ' 59' ' ' ARG . 0.3 OUTLIER -78.04 -22.86 48.54 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.159 -0.963 . . . . 0.0 109.468 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -162.77 172.38 15.32 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.214 -0.929 . . . . 0.0 109.144 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -59.0 -51.93 67.97 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.084 -1.01 . . . . 0.0 109.342 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.326 0 CA-C-O 117.982 -1.455 . . . . 0.0 109.545 179.986 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.2 mtt . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.6 t -143.65 79.83 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.263 -0.898 . . . . 0.0 109.073 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.482 ' CD ' ' N ' ' A' ' 3' ' ' ARG . 10.1 mpt_? -80.58 13.96 2.29 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.873 -1.142 . . . . 0.0 109.008 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -43.33 -40.73 3.73 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.59 -0.694 . . . . 0.0 110.927 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.404 ' CD ' ' N ' ' A' ' 5' ' ' GLU . 15.1 mp0 -73.67 -75.21 0.16 Allowed 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.798 -1.189 . . . . 0.0 110.283 -179.316 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.639 ' CD ' ' H ' ' A' ' 6' ' ' GLU . 2.0 pm0 -47.49 -35.48 8.83 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.154 -0.967 . . . . 0.0 109.703 -179.259 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 14.9 tp -53.04 -54.17 39.33 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.12 -0.987 . . . . 0.0 108.744 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.403 ' HA ' ' HE ' ' A' ' 11' ' ' ARG . . . -52.87 -34.52 54.87 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.577 -0.702 . . . . 0.0 110.249 -179.368 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.62 -34.6 77.3 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.157 -0.964 . . . . 0.0 110.241 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.99 -40.92 75.01 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.08 -1.013 . . . . 0.0 109.989 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.403 ' HE ' ' HA ' ' A' ' 8' ' ' ALA . 83.0 mtm180 -60.62 -31.44 70.62 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.048 -1.033 . . . . 0.0 108.947 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.92 -37.62 81.91 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.359 -0.838 . . . . 0.0 109.384 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.48 -32.5 71.49 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.155 -0.966 . . . . 0.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 25.8 tp -72.12 -34.34 68.5 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.226 -0.921 . . . . 0.0 109.179 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 68.1 m80 -76.98 -37.81 54.44 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.201 -0.937 . . . . 0.0 110.587 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.78 -33.2 60.17 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 120.97 -1.081 . . . . 0.0 110.724 -178.225 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 76.5 mt -78.15 -29.13 48.52 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 120.62 -1.3 . . . . 0.0 111.494 -178.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.425 ' O ' ' CG ' ' A' ' 18' ' ' MET . 24.4 ttm -102.85 -2.27 28.2 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 120.846 -1.159 . . . . 0.0 110.913 -178.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.0 m -91.9 -23.03 19.75 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.804 -1.185 . . . . 0.0 109.447 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 160.18 -51.56 0.36 Allowed Glycine 0 N--CA 1.49 2.274 0 C-N-CA 119.732 -1.223 . . . . 0.0 110.127 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.422 ' HG2' ' H ' ' A' ' 21' ' ' LYS . 27.4 mmtm -49.43 135.26 18.04 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.056 -1.261 . . . . 0.0 109.229 -179.481 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -93.35 -12.64 29.5 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.306 -0.872 . . . . 0.0 110.971 -178.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.8 p -132.96 149.86 32.26 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.319 0 O-C-N 121.117 -0.99 . . . . 0.0 111.154 -178.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -145.23 153.13 41.0 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 179.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.7 p -139.16 144.11 38.45 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.178 -0.951 . . . . 0.0 110.027 -179.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.8 m -147.57 167.45 5.07 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.956 0 O-C-N 121.14 -0.975 . . . . 0.0 109.035 178.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -102.94 118.37 36.68 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.437 -0.789 . . . . 0.0 108.906 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.417 ' HZ3' ' HB2' ' A' ' 28' ' ' LYS . 14.9 mtmm -132.34 122.07 24.49 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.528 -0.732 . . . . 0.0 109.064 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.524 ' O ' ' N ' ' A' ' 31' ' ' ARG . 2.2 m-20 52.98 55.27 9.17 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.362 -0.836 . . . . 0.0 110.038 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 48.16 9.59 0.08 OUTLIER Glycine 0 N--CA 1.493 2.442 0 N-CA-C 110.315 -1.114 . . . . 0.0 110.315 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.524 ' N ' ' O ' ' A' ' 29' ' ' ASP . 97.6 mtt180 -113.89 132.15 56.02 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.143 -1.21 . . . . 0.0 109.99 -179.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -91.28 131.61 36.68 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 61.3 t -138.42 150.48 24.26 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.067 0 O-C-N 121.102 -0.999 . . . . 0.0 109.358 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -106.36 157.07 17.89 Favored 'General case' 0 N--CA 1.5 2.048 0 CA-C-O 121.478 0.656 . . . . 0.0 109.8 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -138.78 135.81 35.04 Favored 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 38' ' ' THR . 8.6 p -118.56 153.15 34.7 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.589 -0.694 . . . . 0.0 109.239 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.78 -18.38 0.04 OUTLIER 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.318 -0.864 . . . . 0.0 110.644 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 36' ' ' THR . 6.1 m -69.51 -23.63 63.63 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.778 -1.201 . . . . 0.0 110.601 -179.115 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 41' ' ' SER . 97.3 p -113.45 16.41 18.86 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 121.146 -0.971 . . . . 0.0 110.035 -179.684 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.7 p -49.57 -11.94 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 121.07 -1.019 . . . . 0.0 109.553 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 39' ' ' SER . 50.1 m -84.59 -52.67 5.94 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.949 -1.094 . . . . 0.0 110.586 -179.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.558 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 43.3 p-10 -59.66 -24.75 64.15 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.812 -1.18 . . . . 0.0 109.483 -179.316 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.558 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 7.3 tp -74.34 -41.25 61.39 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 120.933 -1.104 . . . . 0.0 108.182 178.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.1 mttm -51.32 -35.72 39.4 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.124 -0.985 . . . . 0.0 108.775 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -69.22 -42.77 75.26 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.195 -0.94 . . . . 0.0 109.587 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.554 ' CZ ' HD11 ' A' ' 50' ' ' LEU . 32.7 t80 -57.71 -29.29 64.59 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.309 -0.869 . . . . 0.0 109.531 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 86.0 mt -79.37 -33.72 15.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.231 -0.918 . . . . 0.0 109.308 179.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.06 -38.96 63.79 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.225 -0.922 . . . . 0.0 109.997 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 67.6 tt0 -66.98 -34.2 77.23 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.206 -0.934 . . . . 0.0 110.583 -179.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.554 HD11 ' CZ ' ' A' ' 46' ' ' TYR . 58.5 mt -72.33 -32.16 66.29 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.682 -1.262 . . . . 0.0 109.412 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -65.77 -29.18 69.65 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.749 -1.22 . . . . 0.0 109.157 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 69.8 t -82.07 -21.05 10.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.016 -1.053 . . . . 0.0 109.808 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -91.4 -8.51 47.69 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.065 -1.022 . . . . 0.0 108.846 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.424 ' O ' ' O ' ' A' ' 55' ' ' GLY . 0.7 OUTLIER -123.58 -22.86 4.89 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 -179.757 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 54' ' ' THR . . . -55.79 -168.46 0.07 OUTLIER Glycine 0 N--CA 1.489 2.217 0 N-CA-C 109.415 -1.474 . . . . 0.0 109.415 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.605 ' SD ' ' N ' ' A' ' 56' ' ' MET . 0.0 OUTLIER -159.87 46.13 0.25 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.802 -1.411 . . . . 0.0 109.559 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 15.0 t -88.3 -160.22 0.62 Allowed 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.257 -0.902 . . . . 0.0 109.173 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -172.37 -132.35 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.53 -0.731 . . . . 0.0 109.189 178.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -171.26 144.85 2.09 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.301 -0.874 . . . . 0.0 109.408 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 33.7 ttp180 -166.13 -127.72 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.247 -0.908 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -168.32 37.59 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.124 -0.985 . . . . 0.0 109.353 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.205 0 CA-C-O 118.02 -1.433 . . . . 0.0 109.544 -179.95 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.476 ' O ' ' CZ ' ' A' ' 3' ' ' ARG . 48.0 mtt . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.593 ' O ' HG23 ' A' ' 2' ' ' VAL . 31.0 m -82.87 106.1 13.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.229 -0.919 . . . . 0.0 109.407 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.476 ' CZ ' ' O ' ' A' ' 1' ' ' MET . 1.1 mpp_? -82.48 29.25 0.44 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.7 -1.25 . . . . 0.0 108.902 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -44.81 -41.7 7.22 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.324 -0.86 . . . . 0.0 110.249 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -72.63 -60.04 2.43 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.135 -0.978 . . . . 0.0 110.18 -179.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -56.28 -38.85 71.77 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.994 -1.066 . . . . 0.0 109.335 -179.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 14.2 tp -50.93 -54.61 22.7 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.454 -0.779 . . . . 0.0 109.07 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.54 -32.18 57.79 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.403 -0.81 . . . . 0.0 110.109 -179.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.16 -37.09 72.23 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.136 -0.978 . . . . 0.0 110.11 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.3 -42.04 93.46 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.159 -0.963 . . . . 0.0 109.702 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 -58.49 -39.03 78.88 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.168 -0.957 . . . . 0.0 109.156 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.39 -42.34 95.68 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.389 -0.819 . . . . 0.0 109.671 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.89 -37.9 66.89 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.195 -0.94 . . . . 0.0 109.25 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 25.4 tp -64.86 -33.6 76.39 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.139 -0.976 . . . . 0.0 108.757 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -75.91 -41.36 52.15 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.266 -0.896 . . . . 0.0 110.723 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -76.46 -36.46 57.89 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 120.916 -1.115 . . . . 0.0 111.506 -178.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 17' ' ' LEU . 68.4 mt -71.24 -28.82 64.45 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.751 -1.218 . . . . 0.0 110.858 -178.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.442 ' O ' ' CG ' ' A' ' 18' ' ' MET . 20.8 ttm -101.99 0.58 35.41 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 120.913 -1.117 . . . . 0.0 110.354 -179.24 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 16.6 m -97.95 -23.31 15.87 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.081 -1.012 . . . . 0.0 109.622 179.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 167.45 -71.9 0.16 Allowed Glycine 0 N--CA 1.492 2.381 0 C-N-CA 119.494 -1.336 . . . . 0.0 110.271 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -45.11 131.77 7.44 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.188 -1.183 . . . . 0.0 109.839 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -93.4 -15.08 26.04 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.375 -0.828 . . . . 0.0 110.243 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.2 p -115.18 145.62 20.68 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.253 0 O-C-N 121.403 -0.811 . . . . 0.0 110.902 -178.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.39 135.5 16.67 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 179.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.6 p -109.79 154.55 22.8 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.385 -0.822 . . . . 0.0 109.865 -179.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.5 t -141.44 134.64 30.28 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 O-C-N 121.185 -0.947 . . . . 0.0 108.769 178.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -86.76 104.56 16.25 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.231 -0.918 . . . . 0.0 109.079 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.6 mtmt -132.79 125.23 29.64 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.458 -0.776 . . . . 0.0 108.959 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.507 ' O ' ' N ' ' A' ' 31' ' ' ARG . 35.7 t0 52.06 57.44 6.48 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.4 -0.812 . . . . 0.0 109.893 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 44.27 17.68 0.08 OUTLIER Glycine 0 N--CA 1.494 2.542 0 N-CA-C 110.314 -1.114 . . . . 0.0 110.314 179.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.507 ' N ' ' O ' ' A' ' 29' ' ' ASP . 89.6 mtt180 -121.71 130.41 53.42 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.161 -1.2 . . . . 0.0 109.963 -179.666 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 46.4 mtp180 -95.39 133.93 38.78 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 178.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 42.0 t -130.06 145.89 34.94 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.229 0 O-C-N 121.155 -0.966 . . . . 0.0 109.517 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.478 ' CD ' ' N ' ' A' ' 34' ' ' GLU . 6.0 mp0 -103.4 154.58 19.26 Favored 'General case' 0 N--CA 1.498 1.954 0 CA-C-O 121.773 0.797 . . . . 0.0 110.701 -179.124 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -140.75 136.56 32.65 Favored 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.409 ' O ' ' N ' ' A' ' 38' ' ' THR . 10.5 p -117.51 153.39 33.25 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.463 -0.773 . . . . 0.0 109.591 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.34 -19.15 0.07 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.483 -0.761 . . . . 0.0 110.798 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 36' ' ' THR . 8.2 m -73.97 -22.06 59.77 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.742 -1.224 . . . . 0.0 110.479 -179.209 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.414 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 91.1 p -111.1 18.6 19.24 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.244 -0.91 . . . . 0.0 109.525 -179.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.0 p -56.91 -12.59 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.44 -0.788 . . . . 0.0 110.589 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.0 t -83.62 -53.31 5.75 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.614 -1.304 . . . . 0.0 110.634 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 42' ' ' ASP . 0.9 OUTLIER -57.73 -27.53 63.07 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.91 -1.118 . . . . 0.0 109.349 -179.597 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.2 tp -71.54 -41.46 69.12 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 120.996 -1.065 . . . . 0.0 108.25 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.1 mttm -51.65 -34.66 38.92 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.07 -1.019 . . . . 0.0 108.848 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt -73.23 -45.41 56.26 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.135 -0.978 . . . . 0.0 109.656 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -52.31 -28.81 20.56 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.325 -0.859 . . . . 0.0 109.217 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 87.7 mt -78.63 -33.77 17.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.319 -0.863 . . . . 0.0 109.099 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.77 -37.6 64.96 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.207 -0.933 . . . . 0.0 109.936 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -67.02 -33.81 76.35 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.18 -0.95 . . . . 0.0 110.52 -179.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 50' ' ' LEU . 55.6 mt -72.77 -32.66 65.77 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 120.712 -1.243 . . . . 0.0 109.39 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -65.0 -29.42 70.34 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.775 -1.203 . . . . 0.0 109.005 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 77.1 t -82.52 -20.81 9.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.113 -0.992 . . . . 0.0 109.749 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -92.5 -8.25 45.06 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.084 -1.01 . . . . 0.0 109.469 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -120.18 -16.22 8.56 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 -179.402 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -60.64 173.02 5.94 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.294 -1.522 . . . . 0.0 109.294 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.571 ' SD ' ' N ' ' A' ' 56' ' ' MET . 1.1 mpt? -82.19 60.11 4.79 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.832 -1.393 . . . . 0.0 109.394 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.494 ' O ' ' N ' ' A' ' 59' ' ' ARG . 12.0 t -85.39 -37.93 19.28 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.297 -0.877 . . . . 0.0 109.403 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.465 ' N ' HG23 ' A' ' 57' ' ' THR . 44.7 tt0 -45.72 94.2 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.309 -0.869 . . . . 0.0 109.856 -179.351 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 57' ' ' THR . 68.0 ttt180 -171.04 140.05 1.48 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.31 -0.869 . . . . 0.0 109.472 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -168.41 -28.4 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.224 -0.922 . . . . 0.0 109.469 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 48.6 mtp180 52.95 -152.04 0.29 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.266 -0.896 . . . . 0.0 109.415 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.294 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 -179.949 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.5 mmt . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 121.309 0.576 . . . . 0.0 109.447 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.493 ' C ' ' H ' ' A' ' 4' ' ' GLN . 1.8 m -143.63 93.42 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 121.219 -0.926 . . . . 0.0 109.167 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.499 ' NH2' ' O ' ' A' ' 53' ' ' GLN . 0.2 OUTLIER -72.41 15.42 0.18 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.884 -1.135 . . . . 0.0 109.289 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.493 ' H ' ' C ' ' A' ' 2' ' ' VAL . 66.0 mm-40 -44.12 -37.18 2.94 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.357 -0.839 . . . . 0.0 110.934 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -76.35 -75.42 0.19 Allowed 'General case' 0 N--CA 1.503 2.198 0 O-C-N 120.752 -1.218 . . . . 0.0 110.103 -179.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -46.87 -30.09 2.33 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.996 -1.065 . . . . 0.0 109.733 -178.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.0 tp -58.07 -54.64 44.63 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.24 -0.912 . . . . 0.0 108.658 179.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.91 -35.81 58.65 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.5 -0.75 . . . . 0.0 110.323 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.92 -43.4 83.39 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.131 -0.981 . . . . 0.0 110.11 -179.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.88 -43.52 90.93 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.088 -1.008 . . . . 0.0 109.771 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 63.0 mtm180 -57.37 -36.12 70.83 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.106 -0.996 . . . . 0.0 109.25 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.42 -41.3 98.59 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.404 -0.81 . . . . 0.0 109.82 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.17 -36.5 70.85 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.163 -0.96 . . . . 0.0 109.475 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 22.0 tp -65.12 -34.71 79.05 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.032 -1.042 . . . . 0.0 109.046 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.441 ' O ' ' OG1' ' A' ' 19' ' ' THR . 49.5 t60 -76.48 -40.35 50.53 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.068 -1.02 . . . . 0.0 110.625 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -76.24 -29.19 57.42 Favored 'General case' 0 C--N 1.295 -1.796 0 O-C-N 121.017 -1.052 . . . . 0.0 111.453 -178.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 44.3 mt -78.69 -29.46 45.56 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 120.617 -1.302 . . . . 0.0 110.9 -179.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.494 ' O ' ' SD ' ' A' ' 18' ' ' MET . 24.8 tpp -101.85 -4.94 25.44 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 120.976 -1.077 . . . . 0.0 110.156 -178.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.441 ' OG1' ' O ' ' A' ' 15' ' ' HIS . 22.6 m -90.57 -22.99 21.0 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.724 -1.235 . . . . 0.0 109.558 179.45 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 165.24 -63.35 0.23 Allowed Glycine 0 N--CA 1.491 2.326 0 C-N-CA 119.392 -1.385 . . . . 0.0 110.508 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.408 ' CD ' ' N ' ' A' ' 21' ' ' LYS . 2.8 mmtp -48.7 131.54 17.9 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.052 -1.264 . . . . 0.0 109.255 -179.077 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 -93.75 -14.71 25.95 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.117 -0.989 . . . . 0.0 109.894 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 73.0 t -117.19 148.07 20.16 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.138 0 O-C-N 121.454 -0.778 . . . . 0.0 110.179 -179.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.19 152.53 33.44 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 179.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.0 p -128.89 157.77 40.63 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.286 -0.884 . . . . 0.0 110.019 -179.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.9 t -141.3 135.21 31.55 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.002 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 178.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -83.89 104.59 14.09 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.134 -0.979 . . . . 0.0 109.533 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.511 ' NZ ' ' CB ' ' A' ' 28' ' ' LYS . 4.0 mtpm? -132.61 124.16 27.8 Favored 'General case' 0 N--CA 1.503 2.203 0 O-C-N 121.563 -0.71 . . . . 0.0 109.136 179.544 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.525 ' O ' ' N ' ' A' ' 31' ' ' ARG . 3.9 m-20 52.45 56.86 7.08 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.397 -0.814 . . . . 0.0 110.05 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 45.28 15.4 0.07 OUTLIER Glycine 0 N--CA 1.492 2.383 0 N-CA-C 110.215 -1.154 . . . . 0.0 110.215 179.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.525 ' N ' ' O ' ' A' ' 29' ' ' ASP . 17.4 tpt180 -124.05 130.55 52.75 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.202 -1.175 . . . . 0.0 109.56 -179.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -96.45 134.9 39.05 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.329 -0.857 . . . . 0.0 109.008 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 70.1 t -121.13 145.82 27.07 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.232 0 O-C-N 121.42 -0.8 . . . . 0.0 108.972 179.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.496 ' H ' ' CD ' ' A' ' 34' ' ' GLU . 2.9 mp0 -101.08 151.38 21.88 Favored 'General case' 0 N--CA 1.497 1.921 0 CA-C-O 121.9 0.857 . . . . 0.0 110.956 -178.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -140.23 135.27 32.18 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 178.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 38' ' ' THR . 6.4 p -118.74 153.79 33.84 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.418 -0.801 . . . . 0.0 109.308 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.13 -18.58 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.401 -0.812 . . . . 0.0 110.652 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.463 ' N ' ' O ' ' A' ' 36' ' ' THR . 6.2 m -69.25 -23.75 63.9 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.816 -1.178 . . . . 0.0 110.53 -179.233 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.445 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 90.4 p -112.71 16.65 19.56 Favored 'General case' 0 N--CA 1.503 2.216 0 O-C-N 121.115 -0.99 . . . . 0.0 110.07 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.7 p -50.5 -12.43 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.017 -1.052 . . . . 0.0 109.672 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 39' ' ' SER . 42.8 t -85.27 -52.98 5.53 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 120.898 -1.126 . . . . 0.0 110.541 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.543 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 30.4 p-10 -59.86 -24.22 64.05 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.795 -1.191 . . . . 0.0 109.408 -179.311 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.543 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 8.5 tp -73.82 -42.61 60.67 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 178.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 35.7 mttm -51.89 -30.7 25.13 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.116 -0.99 . . . . 0.0 108.611 179.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.7 mmtm -72.8 -45.19 59.81 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.295 -0.878 . . . . 0.0 109.562 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -57.13 -29.55 63.67 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.376 -0.828 . . . . 0.0 109.419 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 88.4 mt -79.07 -33.44 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.251 -0.906 . . . . 0.0 109.298 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.56 -41.63 62.7 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.215 -0.928 . . . . 0.0 109.984 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -64.08 -35.71 81.62 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.151 -0.968 . . . . 0.0 110.425 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 50' ' ' LEU . 51.9 mt -70.04 -31.5 69.16 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 120.563 -1.335 . . . . 0.0 109.06 179.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -64.91 -29.43 70.37 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.945 -1.097 . . . . 0.0 109.431 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 78.8 t -82.58 -21.08 9.55 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 120.894 -1.129 . . . . 0.0 110.137 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.499 ' O ' ' NH2' ' A' ' 3' ' ' ARG . 44.5 mm-40 -91.42 -8.48 47.74 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.838 -1.164 . . . . 0.0 109.206 -179.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.402 ' CA ' HH21 ' A' ' 3' ' ' ARG . 0.6 OUTLIER -124.1 -36.99 2.62 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -179.685 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -70.46 173.3 40.53 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 21.0 mmt -107.44 31.5 5.37 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.135 -1.215 . . . . 0.0 109.29 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.7 t -84.01 -27.49 28.35 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.246 -0.909 . . . . 0.0 109.45 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 -46.22 -77.88 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.507 -0.746 . . . . 0.0 109.589 -179.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 76.4 mtm180 49.35 -162.43 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.225 -0.922 . . . . 0.0 109.358 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -140.23 62.37 1.5 Allowed 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.251 -0.906 . . . . 0.0 109.353 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 32.9 ptt180 -67.75 -159.42 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.294 -0.879 . . . . 0.0 109.453 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.27 0 CA-C-O 118.011 -1.439 . . . . 0.0 109.549 179.931 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.563 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.8 mpt? . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.448 ' C ' ' H ' ' A' ' 4' ' ' GLN . 2.6 m -67.07 84.5 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.252 -0.905 . . . . 0.0 109.358 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.4 ' HG2' HH11 ' A' ' 3' ' ' ARG . 0.4 OUTLIER -75.46 14.21 0.64 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.878 -1.139 . . . . 0.0 108.859 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.448 ' H ' ' C ' ' A' ' 2' ' ' VAL . 14.3 mm100 -43.48 -34.46 1.35 Allowed 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.552 -0.717 . . . . 0.0 110.734 -179.703 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.416 ' N ' ' CD ' ' A' ' 5' ' ' GLU . 13.2 mp0 -75.23 -77.08 0.13 Allowed 'General case' 0 N--CA 1.499 2.006 0 O-C-N 120.926 -1.109 . . . . 0.0 110.374 -179.198 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.401 ' OE2' ' N ' ' A' ' 7' ' ' LEU . 1.7 pp20? -47.56 -37.01 11.42 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.115 -0.99 . . . . 0.0 109.868 -179.137 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.401 ' N ' ' OE2' ' A' ' 6' ' ' GLU . 13.2 tp -51.87 -53.98 34.42 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.031 -1.043 . . . . 0.0 108.59 179.206 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.402 ' HA ' ' HE ' ' A' ' 11' ' ' ARG . . . -51.07 -36.8 41.88 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.438 -0.789 . . . . 0.0 109.927 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.76 -38.57 83.61 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.085 -1.009 . . . . 0.0 109.995 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.79 -36.76 84.97 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.117 -0.989 . . . . 0.0 109.882 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.402 ' HE ' ' HA ' ' A' ' 8' ' ' ALA . 81.6 mtm180 -64.67 -34.33 78.05 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.105 -0.997 . . . . 0.0 109.265 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.68 -30.28 70.49 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.262 -0.899 . . . . 0.0 109.624 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.34 -37.62 80.7 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.257 -0.902 . . . . 0.0 109.397 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.2 tp -64.93 -35.97 82.86 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.204 -0.935 . . . . 0.0 108.97 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.436 ' O ' ' OG1' ' A' ' 19' ' ' THR . 52.8 t-80 -75.63 -41.29 54.59 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.135 -0.978 . . . . 0.0 110.591 -179.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -74.46 -37.95 63.09 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 120.802 -1.187 . . . . 0.0 111.177 -178.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 48.1 mt -67.62 -30.17 69.68 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.725 -1.235 . . . . 0.0 110.5 -179.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 4.3 tpt -103.4 -0.28 30.28 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 120.996 -1.065 . . . . 0.0 110.673 -179.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.436 ' OG1' ' O ' ' A' ' 15' ' ' HIS . 22.0 m -98.26 -23.66 15.56 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.698 -1.251 . . . . 0.0 109.885 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 170.19 -78.21 0.1 OUTLIER Glycine 0 N--CA 1.492 2.403 0 C-N-CA 119.544 -1.312 . . . . 0.0 109.935 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 61.9 mttt -46.89 104.55 0.05 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.239 -1.153 . . . . 0.0 109.284 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 -71.15 -14.85 62.42 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.419 -0.8 . . . . 0.0 110.169 -179.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.2 t -106.34 148.2 10.99 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 O-C-N 121.286 -0.884 . . . . 0.0 110.694 -179.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.53 152.92 33.61 Favored 'General case' 0 N--CA 1.495 1.816 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 179.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.1 p -137.19 143.98 42.64 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.107 -0.996 . . . . 0.0 110.016 -179.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.4 m -144.58 176.28 2.49 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 178.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -106.46 124.52 49.73 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.232 -0.918 . . . . 0.0 109.482 -179.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 52.8 mttm -134.0 110.48 9.7 Favored 'General case' 0 N--CA 1.501 2.078 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 179.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' A' ' 31' ' ' ARG . 19.4 t70 53.5 58.81 4.83 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.26 -0.9 . . . . 0.0 109.864 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 50.53 5.77 0.09 OUTLIER Glycine 0 N--CA 1.493 2.49 0 N-CA-C 110.387 -1.085 . . . . 0.0 110.387 179.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.515 ' N ' ' O ' ' A' ' 29' ' ' ASP . 12.1 tpp180 -110.95 130.14 55.67 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.09 -1.241 . . . . 0.0 109.788 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 66.3 mtt180 -92.88 134.17 35.36 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.346 -0.846 . . . . 0.0 108.759 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 59.5 t -135.81 142.39 39.28 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.026 0 O-C-N 121.311 -0.868 . . . . 0.0 108.913 179.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.566 ' CD ' ' H ' ' A' ' 34' ' ' GLU . 1.9 mp0 -97.62 157.93 15.77 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.472 -0.768 . . . . 0.0 110.221 -179.214 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -140.48 135.36 31.87 Favored 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 38' ' ' THR . 7.0 p -119.34 154.68 33.19 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.499 -0.751 . . . . 0.0 109.228 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.05 -18.25 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.364 -0.835 . . . . 0.0 110.687 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.47 ' N ' ' O ' ' A' ' 36' ' ' THR . 5.9 m -67.02 -23.67 65.93 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 120.704 -1.248 . . . . 0.0 110.297 -179.36 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.526 ' O ' ' N ' ' A' ' 41' ' ' SER . 93.2 p -114.38 17.12 17.66 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 121.23 -0.919 . . . . 0.0 110.219 -179.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.8 p -48.92 -10.7 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 120.919 -1.113 . . . . 0.0 109.612 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.526 ' N ' ' O ' ' A' ' 39' ' ' SER . 47.7 t -84.67 -52.06 6.37 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.055 -1.028 . . . . 0.0 110.552 -179.51 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.549 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 33.3 p-10 -62.59 -27.73 69.39 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.819 -1.176 . . . . 0.0 109.942 -179.086 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.549 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 7.8 tp -73.56 -40.37 63.99 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.745 -1.222 . . . . 0.0 107.866 178.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.8 ttmm -52.29 -34.36 46.26 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.482 -0.761 . . . . 0.0 109.256 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.0 tttm -73.29 -45.57 54.81 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.329 -0.857 . . . . 0.0 109.571 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.571 ' CZ ' HD11 ' A' ' 50' ' ' LEU . 39.9 t80 -52.31 -28.7 20.13 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.4 -0.812 . . . . 0.0 109.588 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.437 ' O ' ' OE2' ' A' ' 51' ' ' GLU . 84.4 mt -78.01 -39.46 25.47 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.223 -0.923 . . . . 0.0 109.38 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.33 -36.57 71.61 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.195 -0.941 . . . . 0.0 110.195 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -67.6 -33.71 75.55 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.16 -0.963 . . . . 0.0 110.582 -179.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.571 HD11 ' CZ ' ' A' ' 46' ' ' TYR . 44.0 mt -71.79 -33.93 68.99 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 120.685 -1.259 . . . . 0.0 109.465 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.519 ' N ' ' OE1' ' A' ' 51' ' ' GLU . 0.2 OUTLIER -64.29 -29.76 70.84 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.715 -1.241 . . . . 0.0 108.686 179.315 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 74.8 t -82.5 -20.43 9.93 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 O-C-N 121.122 -0.986 . . . . 0.0 109.598 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -92.27 -8.41 45.33 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.115 -0.991 . . . . 0.0 109.258 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' A' ' 1' ' ' MET . 0.6 OUTLIER -119.97 -36.48 3.27 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 -179.69 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -88.42 62.76 3.74 Favored Glycine 0 N--CA 1.493 2.446 0 N-CA-C 109.088 -1.605 . . . . 0.0 109.088 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 35.9 ttp -50.42 156.25 0.9 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.331 -1.099 . . . . 0.0 109.502 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.7 t -170.95 -172.98 1.22 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.685 -1.259 . . . . 0.0 109.192 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -173.36 -83.11 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.503 -0.748 . . . . 0.0 109.489 178.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.578 ' CG ' HH11 ' A' ' 59' ' ' ARG . 3.8 mtt-85 -50.24 165.29 0.09 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.308 -0.87 . . . . 0.0 109.638 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -168.6 -47.8 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.379 -0.826 . . . . 0.0 109.38 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 20.2 mmt180 -69.06 -150.99 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.28 -0.887 . . . . 0.0 109.568 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.306 0 N-CA-C 109.483 -1.447 . . . . 0.0 109.483 179.935 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.556 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.6 OUTLIER . . . . . 0 N--CA 1.492 1.627 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.598 ' O ' HG23 ' A' ' 2' ' ' VAL . 33.7 m -67.98 107.54 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.243 -0.91 . . . . 0.0 109.363 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.51 ' NH1' ' H2 ' ' A' ' 1' ' ' MET . 1.6 mpp_? -83.16 30.07 0.47 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.702 -1.249 . . . . 0.0 108.733 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -47.69 -47.71 29.65 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.323 -0.861 . . . . 0.0 110.5 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.471 ' N ' ' CD ' ' A' ' 5' ' ' GLU . 5.2 mp0 -68.29 -54.43 17.6 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.067 -1.021 . . . . 0.0 111.242 -178.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -64.56 -39.37 93.62 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.927 -1.108 . . . . 0.0 109.445 -178.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 14.0 tp -50.78 -54.42 23.64 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.417 -0.802 . . . . 0.0 108.906 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.79 -36.29 62.28 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.515 -0.741 . . . . 0.0 109.976 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.07 -31.31 70.86 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.213 -0.929 . . . . 0.0 110.0 -179.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.47 -39.79 70.68 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.029 -1.044 . . . . 0.0 109.768 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 78.5 mtm180 -61.21 -35.82 78.23 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.205 -0.934 . . . . 0.0 109.236 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.73 -40.92 97.93 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.452 -0.78 . . . . 0.0 109.576 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.56 -38.59 72.13 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.175 -0.953 . . . . 0.0 109.33 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 19.8 tp -62.98 -35.54 80.52 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.114 -0.991 . . . . 0.0 108.846 179.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.409 ' O ' ' OG1' ' A' ' 19' ' ' THR . 25.5 t-80 -75.54 -45.85 35.55 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.047 -1.033 . . . . 0.0 110.649 -179.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -70.55 -36.76 73.85 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 120.868 -1.145 . . . . 0.0 111.39 -178.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 40.4 mt -68.7 -31.12 69.98 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.698 -1.251 . . . . 0.0 110.452 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 6.3 tpt -103.31 -0.21 30.55 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 120.87 -1.144 . . . . 0.0 110.474 -179.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' A' ' 15' ' ' HIS . 23.1 m -97.55 -23.6 15.94 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.768 -1.207 . . . . 0.0 109.815 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 169.96 -78.34 0.1 OUTLIER Glycine 0 N--CA 1.491 2.344 0 C-N-CA 119.566 -1.302 . . . . 0.0 109.945 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -46.86 105.44 0.07 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.252 -1.146 . . . . 0.0 109.48 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -71.34 -15.02 62.37 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.34 -0.85 . . . . 0.0 110.116 -179.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.9 t -106.82 146.79 12.81 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.023 0 O-C-N 121.295 -0.878 . . . . 0.0 110.62 -179.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -152.04 152.63 32.66 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 82.5 p -140.82 143.18 34.67 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.063 -1.023 . . . . 0.0 109.964 -179.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.9 m -140.03 153.83 22.94 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 O-C-N 121.294 -0.879 . . . . 0.0 108.655 178.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.451 ' N ' ' OE1' ' A' ' 27' ' ' GLN . 1.7 mp0 -84.85 104.66 15.0 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.25 -0.906 . . . . 0.0 109.64 -179.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' A' ' 31' ' ' ARG . 8.5 mtmp? -133.13 148.64 52.12 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.41 -0.806 . . . . 0.0 109.229 179.477 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.54 ' C ' ' H ' ' A' ' 31' ' ' ARG . 36.3 t0 48.58 44.66 21.14 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.264 -0.898 . . . . 0.0 110.658 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 52.02 1.24 0.04 OUTLIER Glycine 0 N--CA 1.495 2.581 0 O-C-N 120.881 -1.137 . . . . 0.0 110.934 179.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.59 ' CG ' HH11 ' A' ' 31' ' ' ARG . 0.2 OUTLIER -125.56 148.99 48.73 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.007 -1.29 . . . . 0.0 109.31 179.905 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 27.7 ptt180 -92.9 133.53 36.01 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.39 -0.819 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.7 t -127.07 144.58 36.75 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.103 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.566 ' CD ' ' H ' ' A' ' 34' ' ' GLU . 2.4 mp0 -97.83 156.07 16.75 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-O 121.698 0.761 . . . . 0.0 110.609 -179.093 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -140.2 134.66 31.46 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 179.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 38' ' ' THR . 7.5 p -119.18 154.88 32.62 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.422 -0.799 . . . . 0.0 109.433 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.06 -18.71 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.373 -0.829 . . . . 0.0 110.694 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 36' ' ' THR . 5.9 m -68.05 -23.56 64.98 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.807 -1.183 . . . . 0.0 110.378 -179.275 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.516 ' O ' ' N ' ' A' ' 41' ' ' SER . 94.1 p -114.27 16.42 17.94 Favored 'General case' 0 N--CA 1.503 2.18 0 O-C-N 121.208 -0.932 . . . . 0.0 110.182 -179.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.2 p -48.8 -11.62 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 120.929 -1.107 . . . . 0.0 109.525 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.516 ' N ' ' O ' ' A' ' 39' ' ' SER . 94.5 p -84.65 -52.67 5.92 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.95 -1.094 . . . . 0.0 110.678 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.545 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 38.1 p-10 -60.79 -25.48 66.58 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.824 -1.173 . . . . 0.0 109.698 -179.248 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.545 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 7.3 tp -73.27 -41.06 64.07 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 178.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.5 mttm -52.2 -31.66 32.83 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.157 -0.964 . . . . 0.0 108.516 179.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.41 ' HB3' ' HZ3' ' A' ' 45' ' ' LYS . 0.8 OUTLIER -73.28 -45.36 56.11 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.272 -0.892 . . . . 0.0 109.539 -179.808 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.539 ' CZ ' HD11 ' A' ' 50' ' ' LEU . 47.5 t80 -55.11 -29.02 56.76 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.34 -0.85 . . . . 0.0 109.633 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 86.9 mt -78.14 -35.02 19.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.229 -0.919 . . . . 0.0 109.305 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.92 -41.33 62.23 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.251 -0.906 . . . . 0.0 109.971 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 48.9 tt0 -63.33 -34.53 77.91 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.205 -0.935 . . . . 0.0 110.425 -179.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.539 HD11 ' CZ ' ' A' ' 46' ' ' TYR . 57.0 mt -72.2 -31.92 66.31 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.612 -1.305 . . . . 0.0 109.158 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -63.05 -29.57 70.92 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.82 -1.175 . . . . 0.0 109.046 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 70.1 t -83.06 -20.94 9.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.083 -1.011 . . . . 0.0 109.852 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -91.7 -8.26 47.49 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.0 -1.063 . . . . 0.0 109.185 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -123.24 -16.38 6.94 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 -179.404 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.454 ' C ' ' SD ' ' A' ' 56' ' ' MET . . . -53.55 -91.76 0.01 OUTLIER Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.654 -1.378 . . . . 0.0 109.654 -179.682 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.454 ' SD ' ' C ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -173.75 46.31 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.77 -1.43 . . . . 0.0 109.634 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.8 t -89.41 -165.37 1.33 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.132 -0.98 . . . . 0.0 109.435 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -173.93 -28.36 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.625 -0.672 . . . . 0.0 109.323 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -167.88 131.02 1.61 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.317 -0.864 . . . . 0.0 109.536 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 57.39 176.35 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.254 -0.904 . . . . 0.0 109.094 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 52.7 mtp180 53.31 43.44 31.44 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.225 -0.922 . . . . 0.0 109.467 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.328 0 CA-C-O 118.008 -1.44 . . . . 0.0 109.534 179.903 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.3 ptp . . . . . 0 N--CA 1.49 1.542 0 CA-C-O 121.286 0.565 . . . . 0.0 109.504 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.5 ' C ' ' H ' ' A' ' 4' ' ' GLN . 2.8 m -143.64 85.72 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 121.176 -0.953 . . . . 0.0 109.392 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.418 ' N ' ' CD ' ' A' ' 3' ' ' ARG . 10.7 mpt_? -75.3 22.74 0.12 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.73 -1.231 . . . . 0.0 108.971 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.5 ' H ' ' C ' ' A' ' 2' ' ' VAL . 30.4 mt-30 -44.81 -42.17 7.61 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.421 -0.8 . . . . 0.0 110.609 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -72.61 -59.44 2.72 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 121.111 -0.993 . . . . 0.0 110.299 -179.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -56.82 -37.81 71.72 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 120.929 -1.107 . . . . 0.0 109.124 -179.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 17.5 tp -51.05 -54.1 27.76 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.353 -0.842 . . . . 0.0 108.925 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.05 -33.23 56.87 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.392 -0.818 . . . . 0.0 109.998 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.62 -32.77 70.23 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.169 -0.957 . . . . 0.0 110.036 -179.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.64 -42.57 70.7 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.159 -0.963 . . . . 0.0 109.914 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -59.0 -36.84 75.58 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.126 -0.984 . . . . 0.0 108.963 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.14 -40.52 96.23 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.46 -0.775 . . . . 0.0 109.416 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.09 -36.41 68.09 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.218 -0.926 . . . . 0.0 109.175 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 21.7 tp -65.11 -34.43 78.38 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.113 -0.992 . . . . 0.0 108.766 179.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -75.88 -40.2 54.97 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.2 -0.937 . . . . 0.0 110.868 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -76.8 -32.34 57.57 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 120.8 -1.187 . . . . 0.0 111.666 -178.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 81.0 mt -76.58 -27.86 55.98 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.608 -1.308 . . . . 0.0 110.939 -178.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.448 ' O ' ' CG ' ' A' ' 18' ' ' MET . 20.0 ttm -102.54 0.76 34.03 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 120.885 -1.134 . . . . 0.0 110.409 -179.241 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.6 m -100.55 -23.38 14.7 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.137 -0.977 . . . . 0.0 109.944 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 169.25 -75.52 0.11 Allowed Glycine 0 N--CA 1.494 2.514 0 C-N-CA 119.42 -1.371 . . . . 0.0 110.376 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 44.7 mttm -44.25 131.67 6.07 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.377 -1.072 . . . . 0.0 109.904 -179.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.16 -15.44 25.97 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.443 -0.786 . . . . 0.0 110.149 -179.256 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.1 p -114.11 146.19 18.97 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.293 0 O-C-N 121.404 -0.81 . . . . 0.0 110.868 -178.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.61 136.74 17.44 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.7 p -108.95 155.56 20.72 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.319 -0.863 . . . . 0.0 109.945 -179.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.6 t -142.39 134.8 26.71 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.996 0 O-C-N 121.26 -0.9 . . . . 0.0 108.915 178.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -86.87 103.4 15.23 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.213 -0.929 . . . . 0.0 109.109 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.2 mtmt -131.35 122.43 26.35 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.459 -0.776 . . . . 0.0 109.104 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' A' ' 31' ' ' ARG . 0.6 OUTLIER 53.0 57.93 5.84 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.302 -0.874 . . . . 0.0 109.806 -179.845 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 45.55 15.23 0.08 OUTLIER Glycine 0 N--CA 1.493 2.465 0 N-CA-C 110.171 -1.172 . . . . 0.0 110.171 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.523 ' N ' ' O ' ' A' ' 29' ' ' ASP . 66.5 mtm180 -120.49 130.81 54.44 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.216 -1.167 . . . . 0.0 109.797 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 51.1 mtm180 -96.65 133.85 40.64 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 178.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 45.7 t -129.27 144.36 38.38 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.209 0 O-C-N 121.163 -0.961 . . . . 0.0 109.433 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.472 ' CD ' ' N ' ' A' ' 34' ' ' GLU . 10.2 mp0 -101.47 155.01 18.33 Favored 'General case' 0 N--CA 1.496 1.865 0 CA-C-O 121.715 0.769 . . . . 0.0 110.555 -179.215 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -140.71 136.47 32.62 Favored 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 38' ' ' THR . 9.4 p -117.87 152.77 34.73 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.421 -0.8 . . . . 0.0 109.297 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.94 -17.95 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.417 -0.802 . . . . 0.0 110.69 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 36' ' ' THR . 3.6 p -70.39 -23.66 62.8 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.729 -1.232 . . . . 0.0 110.236 -179.311 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.471 ' O ' ' N ' ' A' ' 41' ' ' SER . 90.8 p -111.83 16.45 20.42 Favored 'General case' 0 N--CA 1.503 2.189 0 O-C-N 121.061 -1.024 . . . . 0.0 109.993 -179.719 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.8 p -49.99 -11.87 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 121.062 -1.024 . . . . 0.0 109.521 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 39' ' ' SER . 44.8 m -85.46 -52.86 5.56 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.058 -1.026 . . . . 0.0 110.64 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.546 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 35.6 p-10 -59.54 -23.88 63.23 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.723 -1.235 . . . . 0.0 109.361 -179.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.546 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 7.8 tp -74.99 -40.55 60.63 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 178.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 49.0 mttt -51.2 -36.82 43.33 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.128 -0.982 . . . . 0.0 108.805 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -73.92 -46.11 46.38 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.12 -0.988 . . . . 0.0 109.806 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -51.31 -26.4 7.43 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.17 -0.957 . . . . 0.0 108.901 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 92.2 mt -79.76 -35.15 16.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.325 -0.86 . . . . 0.0 109.087 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.74 -40.63 63.38 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.213 -0.93 . . . . 0.0 109.791 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -63.35 -35.17 79.52 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.166 -0.959 . . . . 0.0 110.374 -179.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 50' ' ' LEU . 51.0 mt -71.11 -32.21 68.74 Favored 'General case' 0 N--CA 1.497 1.919 0 C-N-CA 118.54 -1.264 . . . . 0.0 108.954 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -62.81 -29.76 70.97 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.911 -1.118 . . . . 0.0 109.299 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 70.0 t -82.91 -21.76 9.03 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 120.932 -1.105 . . . . 0.0 109.985 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.6 mm100 -92.24 -8.09 46.32 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.972 -1.08 . . . . 0.0 109.271 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -120.34 -39.08 2.82 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -76.45 -167.54 25.67 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.18 -1.568 . . . . 0.0 109.18 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 18.7 ttt -143.34 52.87 1.35 Allowed 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.898 -1.354 . . . . 0.0 109.157 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.2 t -88.21 -28.11 21.37 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.319 -0.863 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -50.26 -22.17 1.66 Allowed 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.451 -0.78 . . . . 0.0 109.061 -179.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 31.1 ptt180 -47.18 162.86 0.05 OUTLIER 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.361 -0.837 . . . . 0.0 109.805 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.719 ' HE ' ' N ' ' A' ' 60' ' ' ARG . 1.3 mmp_? -46.08 -72.68 0.05 Allowed 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.279 -0.888 . . . . 0.0 109.491 -179.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 29.4 ptt180 -169.58 12.27 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.179 -0.951 . . . . 0.0 109.462 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.356 0 CA-C-O 118.037 -1.424 . . . . 0.0 109.573 -179.982 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.7 ttm . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 121.282 0.563 . . . . 0.0 109.497 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.505 ' C ' ' H ' ' A' ' 4' ' ' GLN . 2.5 m -143.58 90.99 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 121.266 -0.896 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -75.5 21.84 0.14 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.617 -1.302 . . . . 0.0 108.938 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.505 ' H ' ' C ' ' A' ' 2' ' ' VAL . 27.5 mm100 -46.79 -46.12 20.42 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.451 -0.781 . . . . 0.0 110.642 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.47 ' N ' ' CD ' ' A' ' 5' ' ' GLU . 16.8 mp0 -69.19 -57.25 5.61 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.158 -0.963 . . . . 0.0 111.125 -178.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -60.88 -35.1 75.75 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.761 -1.212 . . . . 0.0 109.157 -179.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 14.5 tp -51.04 -54.07 28.01 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.83 -44.87 70.61 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.571 -0.706 . . . . 0.0 110.059 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.95 -35.04 77.27 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.156 -0.965 . . . . 0.0 110.021 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.81 -44.24 86.23 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.19 -0.944 . . . . 0.0 109.759 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -57.25 -33.68 67.84 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.193 -0.942 . . . . 0.0 109.187 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.05 -33.6 75.87 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.387 -0.82 . . . . 0.0 109.576 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.99 -31.91 73.26 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.191 -0.943 . . . . 0.0 109.349 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.8 tp -70.15 -37.35 75.21 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.192 -0.942 . . . . 0.0 109.114 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 60.6 m80 -76.58 -38.2 55.29 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.886 -1.134 . . . . 0.0 110.813 -179.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -75.82 -29.96 58.85 Favored 'General case' 0 C--N 1.296 -1.721 0 O-C-N 120.797 -1.189 . . . . 0.0 111.464 -178.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.4 mt -79.04 -29.12 43.38 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 120.727 -1.233 . . . . 0.0 111.019 -179.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 5.8 tpt -101.83 -0.13 34.69 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 120.808 -1.182 . . . . 0.0 110.273 -179.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 20.1 m -95.25 -22.73 17.61 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.934 -1.104 . . . . 0.0 109.379 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 164.72 -63.98 0.23 Allowed Glycine 0 N--CA 1.493 2.443 0 C-N-CA 119.674 -1.251 . . . . 0.0 110.054 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.473 ' CD ' ' H ' ' A' ' 21' ' ' LYS . 4.0 mptp? -46.24 131.52 10.34 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.324 -1.103 . . . . 0.0 109.519 -179.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -94.0 -13.68 26.72 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.268 -0.895 . . . . 0.0 110.211 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.1 p -121.73 149.18 24.92 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.349 0 O-C-N 121.414 -0.804 . . . . 0.0 110.819 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -149.45 152.42 35.63 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 179.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.479 HG21 HH21 ' A' ' 32' ' ' ARG . 18.0 p -126.3 154.8 42.94 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.314 -0.866 . . . . 0.0 109.799 -179.405 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.9 t -142.16 135.18 28.08 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 O-C-N 121.257 -0.902 . . . . 0.0 108.927 179.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -83.79 102.24 12.18 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.198 -0.939 . . . . 0.0 109.522 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.6 mtpt -134.0 134.06 42.03 Favored 'General case' 0 N--CA 1.501 2.093 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.533 ' O ' ' N ' ' A' ' 31' ' ' ARG . 60.3 t0 51.74 52.0 15.47 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.328 -0.857 . . . . 0.0 110.381 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 46.81 11.5 0.05 OUTLIER Glycine 0 N--CA 1.493 2.473 0 N-CA-C 110.431 -1.067 . . . . 0.0 110.431 179.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.533 ' N ' ' O ' ' A' ' 29' ' ' ASP . 40.5 ttp180 -124.58 138.75 54.3 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.21 -1.17 . . . . 0.0 109.77 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.479 HH21 HG21 ' A' ' 25' ' ' THR . 44.2 mtp180 -93.64 134.9 35.47 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.395 -0.816 . . . . 0.0 109.105 179.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 67.5 t -120.97 150.99 23.88 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.195 0 O-C-N 121.435 -0.79 . . . . 0.0 109.056 179.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -108.59 153.84 22.82 Favored 'General case' 0 N--CA 1.499 2.016 0 CA-C-O 121.683 0.754 . . . . 0.0 110.703 -178.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -140.24 136.28 33.2 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 179.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 38' ' ' THR . 9.2 p -116.5 152.68 33.58 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.417 -0.802 . . . . 0.0 109.433 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.79 -18.66 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.401 -0.812 . . . . 0.0 110.585 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 36' ' ' THR . 6.7 m -70.13 -24.25 63.15 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.744 -1.223 . . . . 0.0 110.485 -179.249 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.439 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 87.6 p -110.74 16.51 21.33 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.102 -0.998 . . . . 0.0 109.856 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.2 p -51.35 -12.08 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.096 -1.002 . . . . 0.0 109.679 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.428 ' N ' ' C ' ' A' ' 39' ' ' SER . 48.0 m -85.92 -53.15 5.28 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.93 -1.106 . . . . 0.0 110.465 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.557 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 28.4 p-10 -58.59 -24.69 61.44 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.945 -1.097 . . . . 0.0 109.354 -179.468 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.557 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 8.5 tp -75.16 -41.03 59.04 Favored 'General case' 0 N--CA 1.486 1.333 0 O-C-N 121.041 -1.037 . . . . 0.0 108.246 178.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -51.58 -34.61 37.83 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.222 -0.924 . . . . 0.0 109.243 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -74.78 -45.98 40.06 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.054 -1.029 . . . . 0.0 109.758 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.473 ' CZ ' HD11 ' A' ' 50' ' ' LEU . 32.0 t80 -51.36 -26.28 7.45 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.18 -0.95 . . . . 0.0 108.878 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.421 ' O ' ' OE2' ' A' ' 51' ' ' GLU . 89.7 mt -80.36 -41.37 20.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.304 -0.873 . . . . 0.0 109.59 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.45 -36.24 73.81 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.095 -1.003 . . . . 0.0 110.134 -179.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -68.3 -34.54 76.34 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.107 -0.996 . . . . 0.0 110.545 -179.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.473 HD11 ' CZ ' ' A' ' 46' ' ' TYR . 49.5 mt -70.4 -33.08 70.96 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.541 -1.35 . . . . 0.0 109.416 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.529 ' N ' ' OE1' ' A' ' 51' ' ' GLU . 0.1 OUTLIER -65.53 -30.08 70.8 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.854 -1.154 . . . . 0.0 109.143 179.607 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 69.0 t -82.34 -20.33 10.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 120.982 -1.074 . . . . 0.0 109.894 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -92.12 -8.34 45.99 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.009 -1.057 . . . . 0.0 109.123 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -123.3 -39.47 2.46 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 -179.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -65.38 177.11 12.51 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 23.5 mmt -139.1 51.56 1.79 Allowed 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.07 -1.253 . . . . 0.0 109.121 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.9 t -86.27 -157.89 0.38 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.212 -0.93 . . . . 0.0 109.354 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -172.34 -56.02 0.02 OUTLIER 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.58 -0.7 . . . . 0.0 109.309 178.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -72.21 -164.33 0.14 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.261 -0.899 . . . . 0.0 109.406 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 56.7 mtm180 -146.89 19.49 1.27 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.326 -0.859 . . . . 0.0 109.306 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.438 ' HG3' HH11 ' A' ' 61' ' ' ARG . 14.7 ttm-85 -64.62 -64.53 0.85 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.227 -0.921 . . . . 0.0 109.442 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.357 0 CA-C-O 117.983 -1.454 . . . . 0.0 109.545 -179.974 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.3 mtt . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.425 HG22 ' H ' ' A' ' 2' ' ' VAL . 2.6 m -86.29 85.18 2.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.329 -0.857 . . . . 0.0 109.325 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.5 ' N ' ' CD ' ' A' ' 3' ' ' ARG . 0.4 OUTLIER -76.94 7.99 4.27 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.824 -1.173 . . . . 0.0 109.418 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.585 ' CD ' ' H ' ' A' ' 4' ' ' GLN . 1.7 mp0 -43.76 -36.81 2.41 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.332 -0.855 . . . . 0.0 110.78 -179.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -76.88 -73.98 0.26 Allowed 'General case' 0 N--CA 1.501 2.123 0 O-C-N 120.808 -1.182 . . . . 0.0 109.717 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -46.52 -32.59 3.46 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.151 -0.968 . . . . 0.0 109.713 -179.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.2 tp -56.71 -54.28 47.98 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.249 -0.907 . . . . 0.0 108.61 179.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.05 -33.64 26.41 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.513 -0.742 . . . . 0.0 110.064 -179.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.36 -37.18 77.5 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.108 -0.995 . . . . 0.0 110.064 -179.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.96 -38.87 89.67 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.086 -1.009 . . . . 0.0 109.987 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 83.3 mtm180 -63.24 -33.35 75.3 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.188 -0.945 . . . . 0.0 109.1 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.63 -36.62 84.85 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.407 -0.808 . . . . 0.0 109.66 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.17 -41.57 98.43 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.159 -0.963 . . . . 0.0 109.396 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 30.1 tp -63.22 -32.71 74.17 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.068 -1.02 . . . . 0.0 108.76 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 26.6 t60 -75.46 -41.37 55.79 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.223 -0.923 . . . . 0.0 110.631 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -76.41 -39.46 53.52 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 121.015 -1.053 . . . . 0.0 111.346 -178.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 59.3 mt -67.76 -29.47 68.68 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.755 -1.216 . . . . 0.0 110.852 -178.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 25.9 ttm -102.23 -0.01 33.71 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 120.791 -1.193 . . . . 0.0 110.562 -178.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.9 m -97.01 -23.09 16.44 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.011 -1.056 . . . . 0.0 109.57 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 167.52 -70.51 0.17 Allowed Glycine 0 N--CA 1.492 2.385 0 C-N-CA 119.539 -1.315 . . . . 0.0 110.216 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.6 mttm -45.94 132.01 9.39 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.23 -1.159 . . . . 0.0 109.69 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -93.13 -14.42 27.24 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.277 -0.889 . . . . 0.0 109.868 -179.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.5 p -115.57 147.12 19.18 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.372 0 CA-C-O 121.677 0.751 . . . . 0.0 110.898 -178.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.45 152.47 33.09 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 179.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 69.5 p -139.67 145.47 38.47 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.096 -1.003 . . . . 0.0 109.866 -179.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.7 m -146.64 168.94 5.52 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.933 0 O-C-N 121.252 -0.905 . . . . 0.0 108.766 178.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -83.89 124.78 31.34 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.137 -0.977 . . . . 0.0 109.458 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -135.61 114.96 12.52 Favored 'General case' 0 N--CA 1.503 2.222 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 179.506 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.498 ' C ' ' H ' ' A' ' 31' ' ' ARG . 20.0 t70 49.2 51.73 15.72 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.244 -0.91 . . . . 0.0 110.386 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 64.76 -22.32 0.1 Allowed Glycine 0 N--CA 1.493 2.459 0 O-C-N 121.05 -1.031 . . . . 0.0 111.096 179.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.498 ' H ' ' C ' ' A' ' 29' ' ' ASP . 12.1 ptm180 -100.65 140.18 35.28 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 120.667 -1.49 . . . . 0.0 109.666 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.554 HH11 ' CG ' ' A' ' 32' ' ' ARG . 0.1 OUTLIER -90.34 134.04 34.58 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.465 -0.772 . . . . 0.0 109.378 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 78.7 t -122.5 153.56 27.2 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 CA-C-O 121.607 0.718 . . . . 0.0 109.093 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -103.73 155.89 18.23 Favored 'General case' 0 N--CA 1.499 1.98 0 CA-C-O 121.516 0.674 . . . . 0.0 110.083 -179.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -139.79 135.62 33.22 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.455 ' O ' ' N ' ' A' ' 38' ' ' THR . 8.9 p -118.27 152.84 34.98 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.532 -0.73 . . . . 0.0 109.339 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.98 -17.84 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.447 -0.783 . . . . 0.0 110.649 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.455 ' N ' ' O ' ' A' ' 36' ' ' THR . 3.4 p -70.36 -23.89 62.88 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.725 -1.234 . . . . 0.0 110.358 -179.179 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 41' ' ' SER . 90.0 p -111.84 16.15 20.54 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.026 -1.046 . . . . 0.0 109.877 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.3 p -50.13 -12.07 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.004 -1.06 . . . . 0.0 109.611 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 39' ' ' SER . 42.0 t -84.89 -52.45 6.0 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.982 -1.074 . . . . 0.0 110.498 -179.755 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.554 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 35.3 p-10 -60.15 -24.72 64.94 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.833 -1.167 . . . . 0.0 109.624 -179.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.554 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 7.8 tp -74.61 -41.92 59.56 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 120.883 -1.136 . . . . 0.0 108.378 179.006 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.5 mtmt -51.66 -35.23 41.5 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.015 -1.053 . . . . 0.0 108.834 179.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -68.9 -45.22 71.48 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.176 -0.952 . . . . 0.0 109.559 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.547 ' CZ ' HD11 ' A' ' 50' ' ' LEU . 34.3 t80 -54.94 -29.16 55.81 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.338 -0.851 . . . . 0.0 109.414 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 88.6 mt -78.53 -33.02 16.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.224 -0.922 . . . . 0.0 109.175 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.96 -44.48 54.73 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.229 -0.919 . . . . 0.0 109.941 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -61.11 -35.77 77.93 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.151 -0.968 . . . . 0.0 110.374 -179.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.547 HD11 ' CZ ' ' A' ' 46' ' ' TYR . 54.5 mt -70.38 -31.94 69.4 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 120.681 -1.262 . . . . 0.0 109.242 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -63.03 -29.28 70.7 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.914 -1.116 . . . . 0.0 109.104 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 77.3 t -82.86 -20.43 9.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.06 -1.025 . . . . 0.0 110.01 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.516 HE21 HD23 ' A' ' 50' ' ' LEU . 29.2 mt-30 -91.26 -8.94 46.93 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.891 -1.13 . . . . 0.0 109.35 -179.509 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -124.26 -31.73 3.28 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 -179.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -74.09 -50.62 10.19 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.648 -1.381 . . . . 0.0 109.648 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 35.2 tpp 55.36 51.91 12.22 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.256 -1.144 . . . . 0.0 109.203 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.526 ' O ' ' N ' ' A' ' 59' ' ' ARG . 12.9 t -88.41 -36.1 16.72 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.282 -0.886 . . . . 0.0 109.456 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.446 ' N ' HG23 ' A' ' 57' ' ' THR . 62.6 tt0 -45.71 -15.82 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.425 -0.797 . . . . 0.0 109.942 -179.3 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.526 ' N ' ' O ' ' A' ' 57' ' ' THR . 37.2 ttp180 -51.42 -93.07 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.185 -0.947 . . . . 0.0 109.401 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.6 mtp180 -48.42 -74.75 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.135 -0.978 . . . . 0.0 109.531 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 28.8 ptt180 -174.33 -163.44 0.15 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.212 -0.93 . . . . 0.0 109.463 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.301 0 CA-C-O 118.001 -1.444 . . . . 0.0 109.546 -179.962 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.66 ' N ' HH12 ' A' ' 3' ' ' ARG . 25.3 ttt . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.501 ' C ' ' H ' ' A' ' 4' ' ' GLN . 2.1 m -125.43 88.51 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.015 0 O-C-N 121.493 -0.754 . . . . 0.0 109.178 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.66 HH12 ' N ' ' A' ' 1' ' ' MET . 10.9 mpt_? -71.81 15.03 0.16 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.957 -1.089 . . . . 0.0 109.22 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.501 ' H ' ' C ' ' A' ' 2' ' ' VAL . 32.4 mt-30 -43.46 -35.95 1.81 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.348 -0.845 . . . . 0.0 111.146 -179.49 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -77.13 -75.66 0.2 Allowed 'General case' 0 N--CA 1.501 2.097 0 O-C-N 120.716 -1.24 . . . . 0.0 109.839 -179.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -47.33 -32.87 5.15 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.184 -0.947 . . . . 0.0 109.966 -179.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 16.7 tp -57.92 -54.62 44.87 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.061 -1.024 . . . . 0.0 108.795 179.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.21 -30.6 50.46 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.499 -0.751 . . . . 0.0 110.29 -179.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.57 -29.64 63.72 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.105 -0.997 . . . . 0.0 110.046 -179.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.41 -42.06 59.84 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.04 -1.038 . . . . 0.0 109.718 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -59.81 -36.41 76.7 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.179 -0.951 . . . . 0.0 108.875 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.59 -40.25 96.47 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.437 -0.79 . . . . 0.0 109.405 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.3 -34.12 66.18 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.185 -0.947 . . . . 0.0 109.14 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.6 tp -68.0 -36.45 80.02 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.226 -0.921 . . . . 0.0 109.169 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 47.7 t60 -76.63 -36.63 57.29 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.017 -1.052 . . . . 0.0 110.715 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -76.87 -31.64 56.93 Favored 'General case' 0 C--N 1.294 -1.844 0 O-C-N 121.027 -1.046 . . . . 0.0 111.455 -178.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 64.3 mt -79.23 -29.16 42.61 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 120.642 -1.286 . . . . 0.0 111.289 -179.035 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.499 ' O ' ' SD ' ' A' ' 18' ' ' MET . 25.2 tpp -101.93 -3.92 27.03 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 120.829 -1.169 . . . . 0.0 110.395 -178.461 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 20.2 m -89.9 -23.0 21.73 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.642 -1.286 . . . . 0.0 109.461 179.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 161.03 -52.45 0.34 Allowed Glycine 0 N--CA 1.491 2.322 0 C-N-CA 119.47 -1.347 . . . . 0.0 110.495 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.4 mmtm -51.0 135.46 24.73 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.051 -1.264 . . . . 0.0 109.226 -179.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 38.2 mtp180 -93.7 -13.23 27.72 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.232 -0.918 . . . . 0.0 110.793 -179.175 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.9 p -129.65 151.65 36.14 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.376 0 O-C-N 121.189 -0.944 . . . . 0.0 110.943 -178.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -148.49 152.23 36.52 Favored 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.4 p -125.05 155.6 39.52 Favored 'General case' 0 N--CA 1.503 2.181 0 O-C-N 121.309 -0.869 . . . . 0.0 109.796 -179.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.8 t -143.98 135.01 21.82 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.959 0 O-C-N 121.293 -0.879 . . . . 0.0 108.904 179.071 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -89.54 102.55 15.23 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.209 -0.932 . . . . 0.0 109.187 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.0 mtmm -125.33 125.67 43.85 Favored 'General case' 0 N--CA 1.5 2.054 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 179.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 31' ' ' ARG . 20.7 t70 52.88 57.95 5.84 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.298 -0.877 . . . . 0.0 109.38 -179.313 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 44.97 21.43 0.33 Allowed Glycine 0 N--CA 1.493 2.445 0 N-CA-C 110.164 -1.174 . . . . 0.0 110.164 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 29' ' ' ASP . 43.5 ttp180 -125.37 146.61 49.51 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.139 -1.212 . . . . 0.0 110.081 -179.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 72.8 mtm180 -104.56 134.51 47.62 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 179.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 46.5 t -128.69 145.25 35.9 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.188 0 O-C-N 121.202 -0.936 . . . . 0.0 109.037 179.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -103.77 153.23 20.95 Favored 'General case' 0 N--CA 1.498 1.953 0 CA-C-O 121.696 0.76 . . . . 0.0 110.651 -178.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -140.28 136.35 33.2 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 179.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 38' ' ' THR . 10.0 p -117.51 152.69 34.55 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.452 -0.78 . . . . 0.0 109.459 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.27 -18.36 0.05 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.421 -0.799 . . . . 0.0 110.663 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.434 ' N ' ' O ' ' A' ' 36' ' ' THR . 4.3 p -72.31 -23.29 61.15 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.75 -1.219 . . . . 0.0 110.224 -179.289 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.412 ' C ' ' N ' ' A' ' 41' ' ' SER . 93.6 p -110.42 16.99 21.27 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 121.114 -0.991 . . . . 0.0 109.769 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.1 p -52.26 -11.72 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.298 -0.876 . . . . 0.0 109.592 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.412 ' N ' ' C ' ' A' ' 39' ' ' SER . 48.3 t -84.79 -53.31 5.43 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.962 -1.086 . . . . 0.0 110.776 -179.492 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.524 ' OD1' ' N ' ' A' ' 42' ' ' ASP . 0.0 OUTLIER -60.01 -23.36 63.6 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.759 -1.213 . . . . 0.0 109.024 -179.219 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.3 tp -75.13 -40.53 59.69 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 120.819 -1.175 . . . . 0.0 108.116 178.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 68.3 mttt -51.22 -36.77 43.28 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.088 -1.007 . . . . 0.0 108.751 179.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -71.25 -45.58 62.9 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.143 -0.973 . . . . 0.0 110.329 -179.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.488 ' CZ ' HD11 ' A' ' 50' ' ' LEU . 29.4 t80 -55.08 -27.63 46.38 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.196 -0.94 . . . . 0.0 109.634 -179.638 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 85.1 mt -78.82 -32.47 15.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.067 -1.021 . . . . 0.0 108.875 179.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.84 -48.35 38.45 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.349 -0.845 . . . . 0.0 110.324 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -58.73 -42.43 88.74 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.949 -1.094 . . . . 0.0 110.216 -179.064 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.488 HD11 ' CZ ' ' A' ' 46' ' ' TYR . 38.2 mt -62.23 -32.44 73.12 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 120.731 -1.231 . . . . 0.0 109.197 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -63.74 -29.97 71.12 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.856 -1.153 . . . . 0.0 109.345 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 70.2 t -83.31 -20.79 9.11 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 120.947 -1.096 . . . . 0.0 109.751 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -89.93 -8.8 50.93 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.03 -1.044 . . . . 0.0 108.814 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -123.77 -27.09 4.02 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -77.28 -168.54 30.36 Favored Glycine 0 N--CA 1.489 2.184 0 N-CA-C 109.204 -1.559 . . . . 0.0 109.204 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 15.5 tpt -158.36 69.6 0.51 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.751 -1.441 . . . . 0.0 109.532 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.5 t -142.89 170.6 15.39 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.197 -0.939 . . . . 0.0 109.447 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -173.58 60.64 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.396 0 C-N-CA 120.015 -0.674 . . . . 0.0 109.262 178.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 51.7 mtp180 -148.3 4.89 0.72 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.148 -0.97 . . . . 0.0 109.584 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 10.8 mtm180 -58.3 -11.22 2.53 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.18 -0.95 . . . . 0.0 109.381 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 51.18 -164.66 0.05 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.252 -0.905 . . . . 0.0 109.428 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.243 0 CA-C-O 117.948 -1.473 . . . . 0.0 109.534 -179.974 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.613 ' N ' ' NH1' ' A' ' 3' ' ' ARG . 64.7 mtt . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.475 ' C ' ' H ' ' A' ' 4' ' ' GLN . 2.7 m -143.88 84.14 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 O-C-N 121.172 -0.955 . . . . 0.0 109.541 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.613 ' NH1' ' N ' ' A' ' 1' ' ' MET . 10.5 mpt_? -73.62 15.09 0.29 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.822 -1.174 . . . . 0.0 108.949 179.495 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.475 ' H ' ' C ' ' A' ' 2' ' ' VAL . 83.5 mt-30 -42.97 -39.2 2.52 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.495 -0.753 . . . . 0.0 110.964 -179.481 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.47 ' CD ' ' N ' ' A' ' 5' ' ' GLU . 15.4 mp0 -74.68 -76.06 0.15 Allowed 'General case' 0 N--CA 1.5 2.044 0 O-C-N 120.799 -1.188 . . . . 0.0 110.388 -179.088 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -47.52 -32.68 5.52 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.21 -0.931 . . . . 0.0 109.904 -179.255 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 16.5 tp -55.96 -50.96 69.35 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.122 -0.986 . . . . 0.0 108.684 179.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.46 -39.58 70.55 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.63 -0.669 . . . . 0.0 110.841 -178.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.34 -28.61 62.15 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.045 -1.034 . . . . 0.0 111.265 -178.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.17 -51.03 50.47 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.922 -1.111 . . . . 0.0 110.676 -178.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.4 ptt180 -60.81 -35.79 77.4 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 120.872 -1.143 . . . . 0.0 108.691 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.43 -34.34 68.85 Favored 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 179.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.34 -41.87 98.93 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 179.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 22.5 tp -56.48 -34.78 67.24 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.152 -0.967 . . . . 0.0 108.893 179.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -76.63 -38.44 54.69 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.16 -0.962 . . . . 0.0 110.873 -179.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -76.9 -30.96 56.39 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 120.91 -1.119 . . . . 0.0 111.496 -178.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 75.5 mt -78.49 -29.14 46.54 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 120.726 -1.234 . . . . 0.0 110.955 -179.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.443 ' O ' ' CG ' ' A' ' 18' ' ' MET . 21.7 ttm -102.67 0.18 32.74 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 120.93 -1.106 . . . . 0.0 110.596 -178.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.4 m -92.88 -23.61 18.73 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.898 -1.126 . . . . 0.0 109.489 179.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 171.58 -79.18 0.09 OUTLIER Glycine 0 N--CA 1.491 2.345 0 C-N-CA 119.608 -1.282 . . . . 0.0 110.061 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.3 mtpt -48.48 138.06 10.78 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.211 -1.17 . . . . 0.0 109.392 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 65.0 mtm180 -93.14 -13.84 27.95 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.256 -0.902 . . . . 0.0 110.249 -179.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 42.5 t -109.2 151.01 11.63 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.196 0 O-C-N 121.231 -0.918 . . . . 0.0 111.092 -178.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.36 152.38 33.05 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 107.845 -1.168 . . . . 0.0 107.845 178.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 17.7 p -122.19 149.19 43.98 Favored 'General case' 0 N--CA 1.505 2.302 0 O-C-N 121.136 -0.977 . . . . 0.0 110.828 -178.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.4 t -146.27 134.51 15.91 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 178.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -88.0 103.52 15.78 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.252 -0.905 . . . . 0.0 109.209 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.4 mtmm -131.04 146.03 52.24 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.448 -0.782 . . . . 0.0 109.138 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.539 ' O ' ' N ' ' A' ' 31' ' ' ARG . 6.1 m-20 50.68 47.38 24.46 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.407 -0.808 . . . . 0.0 110.377 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 45.8 13.2 0.05 OUTLIER Glycine 0 N--CA 1.493 2.489 0 O-C-N 120.962 -1.086 . . . . 0.0 110.386 179.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.539 ' N ' ' O ' ' A' ' 29' ' ' ASP . 32.3 ttm180 -125.03 142.83 51.24 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.113 -1.228 . . . . 0.0 110.023 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -76.96 134.59 38.84 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.624 -0.672 . . . . 0.0 109.232 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.8 t -130.57 147.47 33.14 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.314 0 O-C-N 121.245 -0.909 . . . . 0.0 109.127 179.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -119.97 154.3 34.7 Favored 'General case' 0 N--CA 1.501 2.114 0 CA-C-O 121.732 0.777 . . . . 0.0 110.613 -179.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -138.93 136.66 35.69 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 38' ' ' THR . 5.6 p -118.17 153.52 33.7 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.46 -0.775 . . . . 0.0 109.069 179.525 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.3 -18.98 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.328 -0.857 . . . . 0.0 110.779 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 36' ' ' THR . 5.5 m -69.46 -23.44 63.66 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.772 -1.205 . . . . 0.0 110.461 -179.155 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 88.1 p -111.14 17.16 20.61 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.189 -0.944 . . . . 0.0 109.967 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.5 p -52.67 -12.4 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 121.256 -0.903 . . . . 0.0 109.871 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 40.9 t -85.09 -53.02 5.54 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.896 -1.127 . . . . 0.0 110.738 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' A' ' 42' ' ' ASP . 0.0 OUTLIER -61.27 -23.57 65.76 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.904 -1.122 . . . . 0.0 109.044 -179.294 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.8 tp -74.21 -43.17 58.19 Favored 'General case' 0 N--CA 1.486 1.33 0 O-C-N 120.769 -1.207 . . . . 0.0 108.244 179.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 25.4 mttp -51.86 -35.01 43.43 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.102 -0.999 . . . . 0.0 109.288 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -74.96 -30.73 61.29 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.055 -1.028 . . . . 0.0 110.082 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -66.53 -28.76 68.8 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.299 -0.875 . . . . 0.0 109.629 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 97.1 mt -79.98 -35.14 15.78 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 121.157 -0.964 . . . . 0.0 109.146 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.54 -44.4 57.62 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.319 -0.863 . . . . 0.0 109.924 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -61.85 -34.46 76.01 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.148 -0.97 . . . . 0.0 110.451 -179.181 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 50' ' ' LEU . 46.3 mt -70.7 -33.02 70.45 Favored 'General case' 0 N--CA 1.5 2.046 0 C-N-CA 118.599 -1.24 . . . . 0.0 109.389 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -63.13 -29.86 71.13 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.74 -1.225 . . . . 0.0 108.759 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 72.4 t -83.01 -20.48 9.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.085 -1.009 . . . . 0.0 109.78 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -92.75 -8.68 43.11 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.042 -1.036 . . . . 0.0 109.607 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -118.81 -15.54 9.4 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 -179.577 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -72.37 -55.28 6.99 Favored Glycine 0 N--CA 1.491 2.321 0 N-CA-C 109.233 -1.547 . . . . 0.0 109.233 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 37.7 ttp -172.48 154.09 3.06 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.224 -1.162 . . . . 0.0 108.898 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.481 HG23 ' N ' ' A' ' 58' ' ' GLN . 13.9 t -171.38 -39.1 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.579 -1.326 . . . . 0.0 109.488 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.481 ' N ' HG23 ' A' ' 57' ' ' THR . 43.4 tt0 -46.62 -39.1 10.62 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.435 -0.791 . . . . 0.0 109.784 -179.38 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -76.9 137.71 39.29 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.252 -0.905 . . . . 0.0 109.559 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 40.6 mtp180 -146.76 60.89 1.2 Allowed 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.288 -0.882 . . . . 0.0 109.313 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -53.08 -45.63 68.26 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.196 -0.94 . . . . 0.0 109.518 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.235 0 CA-C-O 118.046 -1.419 . . . . 0.0 109.582 179.999 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.4 ttt . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.596 ' O ' HG23 ' A' ' 2' ' ' VAL . 27.0 m -143.82 113.9 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 121.242 -0.911 . . . . 0.0 109.167 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.444 ' N ' ' CD ' ' A' ' 3' ' ' ARG . 10.1 mpt_? -83.38 28.03 0.56 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.7 -1.25 . . . . 0.0 109.244 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.594 HE21 ' CG2' ' A' ' 2' ' ' VAL . 33.0 mt-30 -44.83 -48.13 11.02 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.313 -0.867 . . . . 0.0 110.601 -179.553 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.461 ' N ' ' CD ' ' A' ' 5' ' ' GLU . 2.0 mp0 -63.77 -51.27 65.58 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.131 -0.98 . . . . 0.0 111.0 -178.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -66.91 -38.27 85.92 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.013 -1.055 . . . . 0.0 109.451 -179.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.464 ' O ' HD23 ' A' ' 7' ' ' LEU . 1.3 tt -51.16 -54.76 22.38 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.265 -0.897 . . . . 0.0 108.655 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.95 -39.95 63.31 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.481 -0.762 . . . . 0.0 110.107 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.88 -41.66 91.31 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.15 -0.969 . . . . 0.0 110.055 -179.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.12 -37.72 77.88 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.119 -0.988 . . . . 0.0 109.989 -179.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 44.8 mtp180 -63.04 -39.54 95.03 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.073 -1.017 . . . . 0.0 109.073 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.82 -32.21 69.17 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.415 -0.803 . . . . 0.0 109.579 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.35 -38.45 84.85 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.207 -0.933 . . . . 0.0 109.376 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 36.5 tp -60.16 -32.95 71.53 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.078 -1.014 . . . . 0.0 109.146 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.453 ' O ' ' OG1' ' A' ' 19' ' ' THR . 41.4 t60 -76.99 -39.2 51.31 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.204 -0.935 . . . . 0.0 110.835 -179.556 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.411 ' O ' ' O ' ' A' ' 21' ' ' LYS . 27.8 t70 -76.04 -31.51 58.87 Favored 'General case' 0 C--N 1.296 -1.749 0 O-C-N 120.881 -1.137 . . . . 0.0 111.419 -178.116 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 90.7 mt -78.54 -28.39 46.08 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.78 -1.2 . . . . 0.0 111.186 -178.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 26.1 ttm -104.24 -4.56 22.86 Favored 'General case' 0 N--CA 1.505 2.298 0 O-C-N 120.744 -1.223 . . . . 0.0 111.189 -178.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.453 ' OG1' ' O ' ' A' ' 15' ' ' HIS . 55.3 m -92.19 -23.2 19.45 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.727 -1.233 . . . . 0.0 110.026 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 164.79 -73.45 0.18 Allowed Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.481 -1.448 . . . . 0.0 109.481 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' A' ' 16' ' ' ASP . 18.7 ttmt -47.14 127.66 10.71 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.271 -1.135 . . . . 0.0 108.819 179.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 -93.19 -14.45 27.11 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.254 -0.904 . . . . 0.0 111.134 -178.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.7 t -107.88 144.7 16.15 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.34 0 O-C-N 121.002 -1.061 . . . . 0.0 111.247 -178.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -150.93 152.67 33.94 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 179.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 40.3 p -126.32 153.46 44.83 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.387 -0.821 . . . . 0.0 109.631 -179.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.9 t -141.5 135.12 30.67 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.05 0 O-C-N 121.163 -0.96 . . . . 0.0 108.984 179.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -84.3 103.54 13.57 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.216 -0.928 . . . . 0.0 109.228 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.4 mtmt -133.23 129.77 38.14 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.514 -0.741 . . . . 0.0 109.1 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.527 ' O ' ' N ' ' A' ' 31' ' ' ARG . 30.4 m-20 52.21 53.85 11.74 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.295 -0.878 . . . . 0.0 110.16 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 45.35 14.42 0.06 OUTLIER Glycine 0 N--CA 1.492 2.429 0 N-CA-C 110.435 -1.066 . . . . 0.0 110.435 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.527 ' N ' ' O ' ' A' ' 29' ' ' ASP . 40.8 ttp180 -124.67 130.18 51.93 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.049 -1.265 . . . . 0.0 109.924 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.0 ptp180 -89.04 135.12 33.73 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 46.9 t -124.9 151.63 30.62 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.279 0 O-C-N 121.3 -0.875 . . . . 0.0 109.267 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -109.2 152.57 24.98 Favored 'General case' 0 N--CA 1.5 2.029 0 CA-C-O 121.659 0.742 . . . . 0.0 110.334 -179.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -141.13 135.64 31.08 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 38' ' ' THR . 4.6 p -119.84 154.17 34.7 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.524 -0.735 . . . . 0.0 109.156 179.461 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -44.88 -18.45 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.267 -0.895 . . . . 0.0 110.748 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.471 ' N ' ' O ' ' A' ' 36' ' ' THR . 5.8 m -67.06 -23.1 65.84 Favored 'General case' 0 N--CA 1.486 1.347 0 O-C-N 120.746 -1.221 . . . . 0.0 110.198 -179.389 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.447 ' C ' ' H ' ' A' ' 41' ' ' SER . 92.9 p -114.07 16.98 18.06 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.175 -0.953 . . . . 0.0 110.589 -179.515 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.8 p -51.46 -10.92 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 120.981 -1.074 . . . . 0.0 109.358 179.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.447 ' H ' ' C ' ' A' ' 39' ' ' SER . 45.1 t -85.54 -52.54 5.76 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.064 -1.023 . . . . 0.0 110.893 -179.424 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.527 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 0.0 OUTLIER -64.63 -24.55 67.62 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.794 -1.191 . . . . 0.0 109.321 -179.102 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.1 tp -73.83 -44.11 56.7 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 120.653 -1.28 . . . . 0.0 107.725 178.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -51.69 -31.09 24.6 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 52.4 tttm -76.05 -39.77 54.77 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.454 -0.779 . . . . 0.0 109.755 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -60.66 -29.48 69.31 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.353 -0.842 . . . . 0.0 109.644 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 90.0 mt -77.94 -39.47 25.76 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.155 -0.966 . . . . 0.0 109.414 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.18 -40.33 71.32 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.194 -0.941 . . . . 0.0 109.899 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -62.2 -33.51 74.69 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.159 -0.963 . . . . 0.0 110.225 -179.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 48.6 mt -70.8 -31.81 68.69 Favored 'General case' 0 N--CA 1.498 1.962 0 C-N-CA 118.412 -1.315 . . . . 0.0 108.641 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -63.21 -29.76 71.03 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.027 -1.046 . . . . 0.0 109.34 179.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 75.6 t -83.9 -20.79 8.79 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 120.986 -1.071 . . . . 0.0 110.613 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -92.38 -9.56 41.31 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.788 -1.195 . . . . 0.0 109.335 -179.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -125.06 -40.95 2.12 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -87.55 -175.33 48.52 Favored Glycine 0 N--CA 1.493 2.46 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 3.0 tpt -157.68 61.91 0.48 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.938 -1.331 . . . . 0.0 109.325 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.667 HG23 ' N ' ' A' ' 58' ' ' GLN . 13.5 t -82.92 -139.29 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.277 -0.889 . . . . 0.0 109.256 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.667 ' N ' HG23 ' A' ' 57' ' ' THR . 28.6 tp60 78.13 104.05 0.07 Allowed 'General case' 0 N--CA 1.489 1.494 0 CA-C-O 121.3 0.571 . . . . 0.0 109.47 179.597 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 31.9 ptt180 -161.24 158.63 27.57 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.195 -0.941 . . . . 0.0 109.455 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -70.27 176.02 4.22 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.229 -0.919 . . . . 0.0 109.361 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -90.76 -57.15 2.92 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.169 -0.957 . . . . 0.0 109.417 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.318 0 CA-C-O 118.037 -1.424 . . . . 0.0 109.555 -179.962 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 76.2 mtp . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.606 ' O ' HG23 ' A' ' 2' ' ' VAL . 18.0 m -143.49 112.8 2.03 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 121.182 -0.949 . . . . 0.0 109.098 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.409 ' N ' ' CD ' ' A' ' 3' ' ' ARG . 9.7 mpt_? -83.97 37.35 0.6 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.78 -1.2 . . . . 0.0 109.305 -179.613 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -50.27 -48.76 54.74 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.285 -0.884 . . . . 0.0 110.548 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -66.21 -47.14 74.83 Favored 'General case' 0 N--CA 1.506 2.357 0 O-C-N 121.13 -0.981 . . . . 0.0 110.899 -178.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -70.38 -39.26 74.68 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.761 -1.212 . . . . 0.0 109.522 -178.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 15.5 tp -50.77 -53.93 27.68 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.322 -0.861 . . . . 0.0 108.776 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.9 -42.71 69.02 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.469 -0.77 . . . . 0.0 109.975 -179.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.29 -34.3 77.38 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.205 -0.934 . . . . 0.0 110.021 -179.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.68 -43.02 81.13 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.056 -1.028 . . . . 0.0 109.823 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 57.6 mtp180 -58.52 -38.23 77.3 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.156 -0.965 . . . . 0.0 109.095 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.33 -37.6 81.13 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.463 -0.773 . . . . 0.0 109.407 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.57 -38.25 80.65 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.229 -0.919 . . . . 0.0 109.241 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.1 tp -64.47 -34.1 77.43 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.192 -0.943 . . . . 0.0 108.821 179.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 37.0 t60 -76.12 -40.43 52.86 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.263 -0.898 . . . . 0.0 110.715 -179.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -76.75 -31.16 56.89 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 120.87 -1.144 . . . . 0.0 111.595 -178.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 75.7 mt -77.07 -28.24 54.6 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 120.61 -1.306 . . . . 0.0 110.894 -179.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.449 ' O ' ' CG ' ' A' ' 18' ' ' MET . 19.3 ttm -102.79 0.86 33.39 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.006 -1.059 . . . . 0.0 110.482 -179.164 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 53.1 m -102.6 -24.07 13.81 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.141 -0.975 . . . . 0.0 110.184 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 171.84 -79.39 0.09 OUTLIER Glycine 0 N--CA 1.492 2.38 0 C-N-CA 119.413 -1.375 . . . . 0.0 110.352 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.406 ' HG3' ' H ' ' A' ' 21' ' ' LYS . 66.4 mttt -46.1 107.36 0.1 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.201 -1.176 . . . . 0.0 109.656 -179.565 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.567 ' NH1' ' CB ' ' A' ' 37' ' ' ALA . 17.3 mmm180 -72.15 -14.85 61.93 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.425 -0.797 . . . . 0.0 110.065 -179.319 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 45.6 t -109.38 149.18 12.65 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.17 0 O-C-N 121.32 -0.862 . . . . 0.0 110.569 -179.106 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.65 152.42 32.8 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.9 p -125.38 154.68 41.52 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.385 -0.822 . . . . 0.0 109.774 -179.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.8 t -141.21 134.78 31.4 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.015 0 O-C-N 121.174 -0.954 . . . . 0.0 108.746 178.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -86.74 107.58 18.31 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.142 -0.974 . . . . 0.0 109.307 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.489 ' NZ ' ' CZ ' ' A' ' 46' ' ' TYR . 38.4 mtpt -133.63 120.7 21.02 Favored 'General case' 0 N--CA 1.499 2.015 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.526 ' O ' ' N ' ' A' ' 31' ' ' ARG . 23.7 t70 53.18 58.69 5.03 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.341 -0.849 . . . . 0.0 109.874 -179.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 45.48 15.09 0.08 OUTLIER Glycine 0 N--CA 1.491 2.359 0 N-CA-C 110.249 -1.14 . . . . 0.0 110.249 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.526 ' N ' ' O ' ' A' ' 29' ' ' ASP . 42.4 ttp180 -120.11 131.83 55.2 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.219 -1.165 . . . . 0.0 109.854 -179.669 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.49 HH11 ' HG2' ' A' ' 32' ' ' ARG . 13.6 mtt-85 -101.25 134.6 44.05 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 59.8 t -125.58 144.73 34.63 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.228 0 O-C-N 121.266 -0.896 . . . . 0.0 109.166 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.469 ' CD ' ' N ' ' A' ' 34' ' ' GLU . 3.1 mp0 -102.38 147.14 27.07 Favored 'General case' 0 N--CA 1.497 1.892 0 CA-C-O 121.682 0.754 . . . . 0.0 110.62 -179.165 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -134.31 136.01 43.19 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 179.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.469 ' O ' ' N ' ' A' ' 38' ' ' THR . 7.2 p -118.09 153.66 33.39 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.451 -0.78 . . . . 0.0 109.297 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.567 ' CB ' ' NH1' ' A' ' 22' ' ' ARG . . . -45.21 -17.9 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.42 -0.8 . . . . 0.0 110.655 -179.697 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.469 ' N ' ' O ' ' A' ' 36' ' ' THR . 3.2 p -68.54 -23.74 64.55 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.751 -1.218 . . . . 0.0 110.109 -179.376 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 41' ' ' SER . 89.1 p -113.03 16.36 19.35 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 121.161 -0.962 . . . . 0.0 110.172 -179.685 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.2 p -49.84 -11.38 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.775 0 O-C-N 120.88 -1.137 . . . . 0.0 109.385 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.494 ' N ' ' O ' ' A' ' 39' ' ' SER . 94.0 p -84.91 -52.92 5.66 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.03 -1.044 . . . . 0.0 110.621 -179.634 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.54 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 30.0 p-10 -61.41 -25.7 67.37 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.849 -1.157 . . . . 0.0 109.693 -179.209 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.54 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 7.9 tp -74.09 -40.37 62.79 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 178.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -51.65 -35.9 44.04 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.35 -0.844 . . . . 0.0 108.912 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -73.35 -45.59 54.2 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.175 -0.953 . . . . 0.0 109.88 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.489 ' CZ ' ' NZ ' ' A' ' 28' ' ' LYS . 45.3 t80 -52.16 -29.77 23.65 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.282 -0.886 . . . . 0.0 109.39 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 86.5 mt -77.47 -35.24 21.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.26 -0.9 . . . . 0.0 109.188 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.25 -42.59 62.35 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.21 -0.932 . . . . 0.0 110.0 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -61.16 -35.08 76.14 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.178 -0.951 . . . . 0.0 110.407 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 50' ' ' LEU . 55.4 mt -71.55 -31.97 67.6 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.525 -1.359 . . . . 0.0 109.143 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -61.98 -29.74 70.45 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.852 -1.155 . . . . 0.0 108.936 179.306 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 69.9 t -83.19 -20.68 9.24 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.051 -1.031 . . . . 0.0 109.781 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -91.83 -7.98 47.9 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.144 -0.972 . . . . 0.0 109.282 -179.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -122.64 -16.12 7.31 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 -179.461 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 76.56 -136.21 18.73 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.615 -1.394 . . . . 0.0 109.615 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 13.8 tpt 57.6 60.63 2.75 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.755 -1.438 . . . . 0.0 109.533 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.7 t -93.23 -162.09 0.9 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.219 -0.926 . . . . 0.0 109.284 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -173.05 -27.45 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.467 -0.771 . . . . 0.0 109.487 178.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -66.16 -165.1 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.257 -0.902 . . . . 0.0 109.47 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -162.56 -103.12 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.339 -0.85 . . . . 0.0 109.369 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 24.9 ttm180 52.6 45.99 27.57 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.965 -1.085 . . . . 0.0 109.266 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.328 0 CA-C-O 117.997 -1.446 . . . . 0.0 109.501 -179.872 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.7 mtt . . . . . 0 N--CA 1.489 1.508 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.617 ' O ' HG23 ' A' ' 2' ' ' VAL . 26.9 m -143.45 98.69 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 121.319 -0.863 . . . . 0.0 109.201 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.47 ' CD ' ' N ' ' A' ' 3' ' ' ARG . 10.1 mpt_? -82.81 29.15 0.46 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.656 -1.277 . . . . 0.0 109.008 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 37.3 mm-40 -45.01 -43.17 8.97 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.532 -0.73 . . . . 0.0 110.471 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -72.54 -58.86 3.05 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 121.097 -1.002 . . . . 0.0 110.31 -179.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -57.68 -37.4 73.37 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.941 -1.1 . . . . 0.0 109.126 -179.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 14.3 tp -51.11 -54.23 27.01 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.465 -0.772 . . . . 0.0 108.937 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.02 -35.97 62.51 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.423 -0.798 . . . . 0.0 109.984 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.19 -28.9 67.67 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.154 -0.966 . . . . 0.0 110.009 -179.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.21 -43.52 64.36 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.059 -1.026 . . . . 0.0 109.795 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.502 HH11 ' HG2' ' A' ' 11' ' ' ARG . 14.9 mtt-85 -58.89 -32.45 69.51 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.111 -0.993 . . . . 0.0 108.875 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.68 -40.57 88.6 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.416 -0.803 . . . . 0.0 109.715 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.23 -34.15 70.11 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.118 -0.989 . . . . 0.0 109.438 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.9 tp -68.58 -34.34 75.63 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.131 -0.981 . . . . 0.0 108.95 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.411 ' O ' ' OG1' ' A' ' 19' ' ' THR . 64.1 m80 -76.89 -40.05 48.83 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.258 -0.901 . . . . 0.0 110.583 -179.574 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -76.15 -29.88 57.94 Favored 'General case' 0 C--N 1.295 -1.774 0 O-C-N 120.886 -1.134 . . . . 0.0 111.379 -178.015 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 50.8 mt -78.86 -29.6 44.62 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 120.636 -1.29 . . . . 0.0 110.933 -179.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.45 ' O ' ' CG ' ' A' ' 18' ' ' MET . 21.0 ttm -102.37 0.08 33.47 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 120.851 -1.156 . . . . 0.0 110.615 -178.683 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 15' ' ' HIS . 23.8 m -96.35 -22.7 17.03 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.033 -1.042 . . . . 0.0 109.551 179.544 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 166.8 -65.31 0.2 Allowed Glycine 0 N--CA 1.493 2.45 0 C-N-CA 119.675 -1.25 . . . . 0.0 110.006 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.475 ' H ' ' CD ' ' A' ' 21' ' ' LYS . 12.7 mptt -46.24 131.46 10.37 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.227 -1.16 . . . . 0.0 109.43 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -93.98 -13.58 26.85 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.335 -0.853 . . . . 0.0 110.221 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.2 p -121.61 147.77 25.4 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.356 0 O-C-N 121.391 -0.818 . . . . 0.0 111.047 -178.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -149.97 152.43 34.92 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 179.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 46.9 p -139.34 145.41 39.01 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.144 -0.972 . . . . 0.0 109.99 -179.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.8 m -146.62 170.36 4.59 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.25 -0.906 . . . . 0.0 108.683 178.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -84.1 130.44 34.86 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.118 -0.989 . . . . 0.0 109.604 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -135.48 101.21 4.73 Favored 'General case' 0 N--CA 1.503 2.211 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 179.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.509 ' C ' ' H ' ' A' ' 31' ' ' ARG . 81.7 m-20 50.84 54.78 10.62 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.346 -0.846 . . . . 0.0 110.229 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 66.71 -21.85 0.18 Allowed Glycine 0 N--CA 1.493 2.464 0 O-C-N 120.959 -1.088 . . . . 0.0 110.694 179.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.509 ' H ' ' C ' ' A' ' 29' ' ' ASP . 12.7 mpt_? -97.88 130.01 44.8 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.646 -1.503 . . . . 0.0 109.411 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -87.83 133.52 33.87 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 71.7 t -124.17 154.07 30.88 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.105 0 CA-C-O 121.651 0.739 . . . . 0.0 109.159 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -105.28 156.2 18.36 Favored 'General case' 0 N--CA 1.499 1.993 0 CA-C-O 121.554 0.692 . . . . 0.0 109.956 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -139.02 135.47 34.29 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 38' ' ' THR . 8.8 p -118.47 152.87 35.12 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.598 -0.689 . . . . 0.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.04 -18.56 0.05 Allowed 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.35 -0.844 . . . . 0.0 110.539 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.44 ' N ' ' O ' ' A' ' 36' ' ' THR . 6.8 m -70.89 -23.5 62.3 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.761 -1.212 . . . . 0.0 110.596 -179.097 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 41' ' ' SER . 99.5 p -112.59 16.2 19.81 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.052 -1.03 . . . . 0.0 109.88 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.7 p -49.58 -11.69 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.123 -0.986 . . . . 0.0 109.472 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 39' ' ' SER . 94.4 p -83.78 -52.58 6.28 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.041 -1.037 . . . . 0.0 110.626 -179.779 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.564 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 54.7 p30 -59.42 -24.32 63.38 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.829 -1.169 . . . . 0.0 109.646 -179.258 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.564 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 7.6 tp -74.76 -43.1 56.64 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 120.898 -1.126 . . . . 0.0 108.415 179.198 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.8 mttp -51.6 -34.67 38.31 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.002 -1.062 . . . . 0.0 109.011 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.5 mmpt? -69.72 -41.6 75.1 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.121 -0.987 . . . . 0.0 109.451 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.591 ' CZ ' HD11 ' A' ' 50' ' ' LEU . 35.9 t80 -58.72 -27.35 64.8 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.357 -0.839 . . . . 0.0 109.503 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 91.4 mt -80.24 -32.64 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.203 -0.936 . . . . 0.0 108.84 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.25 -45.37 56.28 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.314 -0.866 . . . . 0.0 110.289 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -62.4 -42.41 99.41 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.078 -1.014 . . . . 0.0 110.395 -179.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.591 HD11 ' CZ ' ' A' ' 46' ' ' TYR . 36.5 mt -61.91 -33.33 74.04 Favored 'General case' 0 N--CA 1.5 2.066 0 C-N-CA 118.702 -1.199 . . . . 0.0 109.438 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -65.51 -29.81 70.49 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.701 -1.25 . . . . 0.0 109.183 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 68.7 t -82.92 -20.28 9.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 120.997 -1.064 . . . . 0.0 109.579 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -91.63 -8.2 47.9 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.075 -1.016 . . . . 0.0 109.261 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.29 -33.31 3.7 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 -179.591 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -88.44 61.15 3.92 Favored Glycine 0 N--CA 1.493 2.5 0 N-CA-C 109.296 -1.522 . . . . 0.0 109.296 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 9.2 ttt -54.16 157.46 2.61 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.338 -1.095 . . . . 0.0 109.458 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.3 t -154.6 -160.47 1.08 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.701 -1.249 . . . . 0.0 109.206 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -172.02 156.03 3.94 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.506 -0.746 . . . . 0.0 109.509 178.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 54.21 58.98 4.5 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.323 -0.861 . . . . 0.0 109.512 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.0 ptp180 -77.19 -162.5 0.29 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.259 -0.901 . . . . 0.0 109.484 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 44.6 ttm180 -167.22 -74.47 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.244 -0.91 . . . . 0.0 109.416 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.378 0 CA-C-O 118.008 -1.44 . . . . 0.0 109.509 -180.0 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.2 ttt . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.506 ' C ' ' H ' ' A' ' 4' ' ' GLN . 2.1 m -81.74 91.6 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.238 -0.914 . . . . 0.0 109.436 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.418 ' N ' ' CD ' ' A' ' 3' ' ' ARG . 0.5 OUTLIER -70.98 13.15 0.21 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.927 -1.108 . . . . 0.0 109.225 179.816 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.506 ' H ' ' C ' ' A' ' 2' ' ' VAL . 35.8 mm-40 -43.7 -35.89 2.0 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.452 -0.78 . . . . 0.0 110.899 -179.651 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.441 ' N ' ' CD ' ' A' ' 5' ' ' GLU . 20.7 mp0 -76.8 -75.83 0.19 Allowed 'General case' 0 N--CA 1.5 2.072 0 O-C-N 120.731 -1.231 . . . . 0.0 110.27 -179.387 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.406 ' OE2' HD13 ' A' ' 50' ' ' LEU . 1.0 OUTLIER -46.86 -30.27 2.41 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.237 -0.915 . . . . 0.0 109.92 -179.11 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 14.3 tp -60.32 -54.35 46.71 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.112 -0.993 . . . . 0.0 108.999 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.28 -32.36 37.01 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.461 -0.774 . . . . 0.0 110.257 -179.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.17 -39.5 71.85 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.096 -1.002 . . . . 0.0 110.138 -179.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.77 -38.27 90.47 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.169 -0.957 . . . . 0.0 110.011 -179.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -63.53 -39.4 94.33 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.123 -0.986 . . . . 0.0 109.316 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.92 -33.71 72.24 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.289 -0.882 . . . . 0.0 109.586 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.79 -41.78 95.57 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.221 -0.924 . . . . 0.0 109.524 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 21.5 tp -58.77 -34.69 71.71 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.079 -1.013 . . . . 0.0 108.9 179.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 77.0 m80 -76.74 -49.99 14.67 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.005 -1.06 . . . . 0.0 110.738 -179.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -67.23 -28.09 67.77 Favored 'General case' 0 C--N 1.295 -1.773 0 C-N-CA 119.018 -1.073 . . . . 0.0 111.426 -177.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 32.0 mt -77.79 -31.73 52.04 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 120.548 -1.345 . . . . 0.0 110.316 -179.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 5.3 tpt -103.73 -0.35 29.51 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 120.982 -1.074 . . . . 0.0 110.213 -179.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 51.3 m -96.62 -23.63 16.4 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.812 -1.18 . . . . 0.0 109.889 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 170.06 -78.4 0.1 OUTLIER Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.8 mtpm? -46.87 107.71 0.12 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.155 -1.203 . . . . 0.0 109.385 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 50.6 mtp180 -72.07 -15.22 62.01 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.363 -0.835 . . . . 0.0 110.266 -179.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 62.1 t -107.99 148.6 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.098 0 O-C-N 121.227 -0.921 . . . . 0.0 110.693 -178.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -152.11 152.88 32.9 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 179.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.8 m -140.96 140.17 34.36 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.019 -1.051 . . . . 0.0 110.178 -179.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.3 m -141.11 170.09 14.15 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -108.17 102.09 11.26 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.341 -0.85 . . . . 0.0 109.059 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.2 mtmt -109.11 122.98 48.44 Favored 'General case' 0 N--CA 1.5 2.034 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' A' ' 31' ' ' ARG . 40.9 m-20 53.06 58.43 5.32 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.187 -0.945 . . . . 0.0 109.944 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 48.27 9.29 0.07 OUTLIER Glycine 0 N--CA 1.491 2.356 0 C-N-CA 120.183 -1.008 . . . . 0.0 110.609 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.523 ' N ' ' O ' ' A' ' 29' ' ' ASP . 43.3 mtp180 -113.89 141.3 47.52 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.117 -1.225 . . . . 0.0 109.629 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -101.8 131.05 48.34 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 59.8 t -138.17 142.05 36.54 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.34 -0.85 . . . . 0.0 109.236 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -95.07 154.61 17.09 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.556 -0.715 . . . . 0.0 110.267 -179.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -138.61 135.08 34.57 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 179.566 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.465 ' O ' ' N ' ' A' ' 38' ' ' THR . 6.9 p -119.51 153.62 35.07 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.508 -0.745 . . . . 0.0 109.214 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.51 -17.87 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.326 -0.859 . . . . 0.0 110.762 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.465 ' N ' ' O ' ' A' ' 36' ' ' THR . 3.3 p -68.51 -23.45 64.54 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.682 -1.261 . . . . 0.0 110.27 -179.421 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.523 ' O ' ' N ' ' A' ' 41' ' ' SER . 96.7 p -113.82 16.52 18.43 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 121.172 -0.955 . . . . 0.0 110.188 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.6 p -48.22 -11.96 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 121.035 -1.041 . . . . 0.0 109.692 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.523 ' N ' ' O ' ' A' ' 39' ' ' SER . 45.3 t -83.87 -52.7 6.15 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.879 -1.138 . . . . 0.0 110.762 -179.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.549 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 43.5 p-10 -61.14 -24.49 66.31 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.875 -1.14 . . . . 0.0 109.829 -179.237 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.549 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 8.2 tp -74.12 -42.86 59.37 Favored 'General case' 0 N--CA 1.486 1.333 0 O-C-N 120.819 -1.176 . . . . 0.0 108.398 179.076 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.3 mttp -51.65 -36.27 45.48 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.017 -1.052 . . . . 0.0 108.705 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.6 tttm -66.98 -45.09 78.73 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.316 -0.865 . . . . 0.0 109.489 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.52 ' CZ ' HD11 ' A' ' 50' ' ' LEU . 38.8 t80 -55.7 -29.25 59.09 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.478 -0.764 . . . . 0.0 109.547 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 86.0 mt -78.95 -34.22 16.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.253 -0.904 . . . . 0.0 109.28 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.89 -37.27 64.74 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.219 -0.926 . . . . 0.0 110.083 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -68.16 -34.43 76.3 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.175 -0.953 . . . . 0.0 110.582 -179.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.52 HD11 ' CZ ' ' A' ' 46' ' ' TYR . 60.3 mt -71.95 -31.98 66.84 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 120.627 -1.296 . . . . 0.0 109.38 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -67.3 -29.09 68.59 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.805 -1.184 . . . . 0.0 109.461 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 69.5 t -82.03 -20.78 10.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 120.964 -1.085 . . . . 0.0 109.992 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 19.9 mm100 -92.02 -8.28 46.45 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.084 -1.01 . . . . 0.0 109.082 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -123.54 -27.02 4.1 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 -179.693 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -60.21 171.05 6.66 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.471 -1.452 . . . . 0.0 109.471 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.574 ' N ' ' SD ' ' A' ' 56' ' ' MET . 4.3 mpp? -91.54 27.41 2.0 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.946 -1.326 . . . . 0.0 109.378 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.691 HG23 ' N ' ' A' ' 58' ' ' GLN . 15.3 t -84.45 -140.37 0.07 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.244 -0.91 . . . . 0.0 109.206 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.691 ' N ' HG23 ' A' ' 57' ' ' THR . 23.2 tt0 75.56 -67.63 0.23 Allowed 'General case' 0 N--CA 1.488 1.451 0 CA-C-O 121.295 0.569 . . . . 0.0 109.496 179.383 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 53.84 48.05 22.21 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.254 -0.903 . . . . 0.0 109.366 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.573 ' CG ' HH11 ' A' ' 60' ' ' ARG . 0.0 OUTLIER -72.12 -2.06 17.21 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.216 -0.928 . . . . 0.0 109.603 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 49.86 10.85 0.05 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.265 -0.897 . . . . 0.0 109.621 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.502 ' O ' ' NE ' ' A' ' 60' ' ' ARG . . . . . . . . 0 N--CA 1.491 2.303 0 CA-C-O 117.983 -1.454 . . . . 0.0 109.603 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.1 ttt . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.414 ' C ' ' H ' ' A' ' 4' ' ' GLN . 2.5 m -144.01 84.19 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 121.2 -0.937 . . . . 0.0 109.39 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.406 ' N ' ' CD ' ' A' ' 3' ' ' ARG . 11.4 mpt_? -74.21 10.37 1.28 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.889 -1.132 . . . . 0.0 109.127 179.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.414 ' H ' ' C ' ' A' ' 2' ' ' VAL . 22.1 mt-30 -40.73 -33.04 0.25 Allowed 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.512 -0.743 . . . . 0.0 111.278 -179.114 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.401 ' N ' ' CD ' ' A' ' 5' ' ' GLU . 9.3 mp0 -75.8 -77.07 0.14 Allowed 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.702 -1.249 . . . . 0.0 109.777 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.416 ' OE2' ' N ' ' A' ' 7' ' ' LEU . 1.7 pp20? -49.12 -39.52 28.75 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.29 -0.881 . . . . 0.0 110.235 -179.58 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.605 ' O ' HD23 ' A' ' 7' ' ' LEU . 5.3 tt -51.56 -49.11 62.68 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.972 -1.08 . . . . 0.0 108.868 179.358 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.38 -37.12 69.65 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.465 -0.772 . . . . 0.0 110.61 -179.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.83 -34.3 60.11 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.885 -1.134 . . . . 0.0 111.002 -178.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.95 -49.13 77.34 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.964 -1.085 . . . . 0.0 110.501 -179.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 -62.73 -36.34 82.7 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 120.886 -1.134 . . . . 0.0 108.698 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.48 -30.24 60.23 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 178.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.39 -43.83 84.78 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 179.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.3 tp -51.9 -33.68 38.01 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.273 -0.892 . . . . 0.0 108.91 179.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.501 ' CD2' ' OG1' ' A' ' 19' ' ' THR . 39.0 t-80 -76.47 -51.25 12.13 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.121 -0.987 . . . . 0.0 110.962 -179.289 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -65.55 -28.57 69.26 Favored 'General case' 0 C--N 1.293 -1.849 0 O-C-N 120.941 -1.099 . . . . 0.0 111.473 -177.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.485 ' O ' ' NH2' ' A' ' 22' ' ' ARG . 41.1 mt -77.92 -32.22 51.51 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 120.575 -1.328 . . . . 0.0 110.483 -179.313 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 2.2 tpt -104.99 -5.31 21.09 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 120.848 -1.158 . . . . 0.0 110.571 -179.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.501 ' OG1' ' CD2' ' A' ' 15' ' ' HIS . 84.6 m -91.25 -23.38 20.2 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.64 -1.287 . . . . 0.0 110.153 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.527 ' O ' ' NE ' ' A' ' 22' ' ' ARG . . . 173.87 -79.3 0.08 OUTLIER Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.833 -1.307 . . . . 0.0 109.833 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 45.1 mttm -46.97 133.45 11.18 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.239 -1.153 . . . . 0.0 109.412 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.527 ' NE ' ' O ' ' A' ' 20' ' ' GLY . 3.6 mmp_? -92.56 -15.05 27.43 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.243 -0.91 . . . . 0.0 109.896 -179.58 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.6 t -110.74 149.48 13.57 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.012 0 O-C-N 121.39 -0.819 . . . . 0.0 110.56 -179.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.62 152.87 33.43 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 179.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 22.0 p -139.33 146.42 40.26 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.146 -0.971 . . . . 0.0 110.025 -179.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.4 m -143.6 176.54 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 178.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -119.94 103.14 9.07 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.349 -0.845 . . . . 0.0 109.68 -179.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.7 mttm -104.06 109.96 21.95 Favored 'General case' 0 N--CA 1.501 2.097 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 179.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.437 ' C ' ' H ' ' A' ' 31' ' ' ARG . 5.1 m-20 52.3 53.52 12.25 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.217 -0.927 . . . . 0.0 110.253 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 63.95 -8.22 0.42 Allowed Glycine 0 N--CA 1.493 2.459 0 O-C-N 120.967 -1.083 . . . . 0.0 111.0 179.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.437 ' H ' ' C ' ' A' ' 29' ' ' ASP . 51.5 mtp180 -88.01 130.59 34.92 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 120.486 -1.597 . . . . 0.0 109.878 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.5 tpp180 -97.08 127.18 42.8 Favored 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 179.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 35.5 t -139.01 141.7 35.78 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 O-C-N 121.077 -1.015 . . . . 0.0 109.399 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.536 ' CD ' ' H ' ' A' ' 34' ' ' GLU . 4.2 mp0 -98.53 157.33 16.3 Favored 'General case' 0 N--CA 1.497 1.924 0 CA-C-O 121.632 0.729 . . . . 0.0 110.294 -179.271 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -140.68 134.82 30.93 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 179.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.461 ' O ' ' N ' ' A' ' 38' ' ' THR . 6.9 p -120.09 153.46 36.08 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.582 -0.699 . . . . 0.0 109.121 179.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.63 -17.84 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.251 -0.906 . . . . 0.0 110.665 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 36' ' ' THR . 3.0 p -68.13 -23.39 64.89 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.73 -1.231 . . . . 0.0 110.078 -179.398 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.523 ' O ' ' N ' ' A' ' 41' ' ' SER . 96.5 p -114.11 16.79 18.05 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.166 -0.959 . . . . 0.0 110.262 -179.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.2 p -49.03 -10.9 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 120.897 -1.127 . . . . 0.0 109.537 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.523 ' N ' ' O ' ' A' ' 39' ' ' SER . 47.7 t -83.85 -52.44 6.37 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.042 -1.036 . . . . 0.0 110.635 -179.663 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.552 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 41.9 p-10 -61.95 -26.54 68.26 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.795 -1.19 . . . . 0.0 109.971 -179.118 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.552 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 6.9 tp -73.75 -39.57 64.13 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 120.771 -1.206 . . . . 0.0 107.95 178.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -52.18 -36.35 51.51 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.479 -0.763 . . . . 0.0 108.954 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -75.5 -30.78 59.95 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.23 -0.919 . . . . 0.0 110.377 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.472 ' CZ ' HD11 ' A' ' 50' ' ' LEU . 36.0 t80 -65.16 -30.5 71.42 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.062 -1.024 . . . . 0.0 109.968 -179.407 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 97.3 mt -80.47 -32.71 13.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 121.056 -1.028 . . . . 0.0 108.903 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.18 -42.02 60.54 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.325 -0.86 . . . . 0.0 109.912 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -64.48 -34.94 79.38 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.197 -0.939 . . . . 0.0 110.484 -179.081 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.472 HD11 ' CZ ' ' A' ' 46' ' ' TYR . 55.1 mt -71.39 -32.51 68.52 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.71 -1.244 . . . . 0.0 109.492 -179.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -64.73 -29.4 70.38 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.807 -1.183 . . . . 0.0 109.059 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 70.4 t -82.65 -20.32 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.153 -0.967 . . . . 0.0 110.331 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 -92.01 -9.37 43.11 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.752 -1.217 . . . . 0.0 109.261 -179.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -124.88 -40.83 2.15 Favored 'General case' 0 N--CA 1.494 1.737 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -93.64 -172.84 39.63 Favored Glycine 0 N--CA 1.495 2.589 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.451 ' O ' ' O ' ' A' ' 57' ' ' THR . 10.3 ttt -153.27 45.79 0.66 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.951 -1.323 . . . . 0.0 109.182 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.451 ' O ' ' O ' ' A' ' 56' ' ' MET . 0.4 OUTLIER 56.46 161.3 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.669 -0.644 . . . . 0.0 109.592 179.843 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -172.73 92.45 0.11 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.357 -0.84 . . . . 0.0 109.46 179.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -169.57 155.89 6.31 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.156 -0.965 . . . . 0.0 109.573 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 63.1 ttt180 -168.93 -22.78 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.291 -0.881 . . . . 0.0 109.461 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -60.31 -17.92 46.03 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.255 -0.903 . . . . 0.0 109.474 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.316 0 CA-C-O 117.962 -1.466 . . . . 0.0 109.526 -179.994 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.452 ' O ' ' N ' ' A' ' 3' ' ' ARG . 55.1 mtt . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.499 ' C ' ' H ' ' A' ' 4' ' ' GLN . 2.6 m -58.99 86.37 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.252 -0.905 . . . . 0.0 109.401 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 1' ' ' MET . 14.3 tpt180 -73.42 36.81 0.09 Allowed 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.699 -1.25 . . . . 0.0 109.096 179.774 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.499 ' H ' ' C ' ' A' ' 2' ' ' VAL . 26.1 mm100 -69.28 -60.28 2.44 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.462 -0.774 . . . . 0.0 112.018 -178.526 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.575 ' CD ' ' H ' ' A' ' 5' ' ' GLU . 12.3 mp0 -56.86 -48.03 79.05 Favored 'General case' 0 N--CA 1.505 2.294 0 O-C-N 120.964 -1.085 . . . . 0.0 111.619 -178.221 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -69.33 -40.41 77.6 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.699 -1.251 . . . . 0.0 109.888 -178.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.5 tp -51.22 -52.33 45.54 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.035 -1.041 . . . . 0.0 108.569 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.66 -40.92 63.33 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.397 -0.814 . . . . 0.0 109.821 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.64 -33.67 75.5 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.306 -0.871 . . . . 0.0 110.028 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.36 -41.62 76.31 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.056 -1.028 . . . . 0.0 110.067 -179.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 56.4 mtp180 -61.69 -35.76 78.93 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.058 -1.026 . . . . 0.0 109.004 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.4 ' O ' ' OD2' ' A' ' 16' ' ' ASP . . . -64.13 -33.5 75.91 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.526 -0.734 . . . . 0.0 109.5 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.65 -35.98 82.78 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.162 -0.961 . . . . 0.0 109.27 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.6 tp -65.04 -36.0 82.96 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.132 -0.98 . . . . 0.0 108.862 179.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.438 ' O ' ' OG1' ' A' ' 19' ' ' THR . 80.9 m80 -76.86 -48.7 17.61 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.966 -1.084 . . . . 0.0 110.596 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.4 ' OD2' ' O ' ' A' ' 12' ' ' ALA . 23.0 m-20 -66.48 -29.02 69.05 Favored 'General case' 0 C--N 1.292 -1.898 0 O-C-N 121.118 -0.989 . . . . 0.0 111.472 -177.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 35.3 mt -78.52 -32.27 47.94 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 120.582 -1.324 . . . . 0.0 110.415 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 6.5 tpt -103.85 -0.12 29.56 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.036 -1.04 . . . . 0.0 110.371 -178.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.438 ' OG1' ' O ' ' A' ' 15' ' ' HIS . 27.9 m -92.86 -23.82 18.68 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.838 -1.164 . . . . 0.0 109.709 179.637 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 175.94 -81.65 0.07 OUTLIER Glycine 0 N--CA 1.49 2.256 0 C-N-CA 119.558 -1.306 . . . . 0.0 110.117 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.1 mttp -49.97 137.68 16.6 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.254 -1.145 . . . . 0.0 109.206 -179.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 63.4 mtm180 -93.19 -14.65 26.86 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.377 -0.827 . . . . 0.0 110.268 -179.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 41.6 t -107.47 149.7 10.65 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.178 0 O-C-N 121.185 -0.947 . . . . 0.0 111.136 -178.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.7 153.05 33.61 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 178.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.6 p -136.61 144.05 43.89 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.12 -0.987 . . . . 0.0 110.314 -179.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.2 m -147.05 158.11 9.97 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 178.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -83.96 129.63 34.92 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.083 -1.011 . . . . 0.0 109.543 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -135.1 105.42 6.33 Favored 'General case' 0 N--CA 1.503 2.203 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.504 ' C ' ' H ' ' A' ' 31' ' ' ARG . 45.5 t0 53.13 58.18 5.55 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.219 -0.925 . . . . 0.0 110.027 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 55.36 0.17 0.11 Allowed Glycine 0 N--CA 1.492 2.39 0 N-CA-C 110.672 -0.971 . . . . 0.0 110.672 179.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.504 ' H ' ' C ' ' A' ' 29' ' ' ASP . 89.3 mtt180 -109.45 130.18 55.51 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.953 -1.322 . . . . 0.0 109.657 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.9 mtt180 -89.32 132.74 34.79 Favored 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 179.188 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 64.9 t -132.7 145.93 33.58 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 179.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -103.09 155.67 18.23 Favored 'General case' 0 N--CA 1.499 1.976 0 CA-C-O 121.585 0.707 . . . . 0.0 110.523 -178.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -137.91 135.21 35.88 Favored 'General case' 0 N--CA 1.496 1.825 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 179.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 38' ' ' THR . 7.7 p -118.87 153.93 33.74 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.506 -0.746 . . . . 0.0 109.443 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.69 -18.75 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.38 -0.825 . . . . 0.0 110.78 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 36' ' ' THR . 6.7 m -71.05 -22.4 62.13 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.714 -1.241 . . . . 0.0 110.626 -179.175 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.401 ' C ' ' N ' ' A' ' 41' ' ' SER . 86.9 p -114.37 17.71 17.33 Favored 'General case' 0 N--CA 1.505 2.283 0 O-C-N 121.177 -0.952 . . . . 0.0 109.911 -179.658 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.1 p -51.42 -12.0 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 121.346 -0.847 . . . . 0.0 110.04 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.401 ' N ' ' C ' ' A' ' 39' ' ' SER . 48.7 m -83.76 -52.88 6.03 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.766 -1.208 . . . . 0.0 110.827 -179.634 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' A' ' 42' ' ' ASP . 0.0 OUTLIER -59.28 -23.31 62.29 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.834 -1.166 . . . . 0.0 109.174 -179.306 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.1 tp -75.19 -40.79 59.02 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 120.793 -1.192 . . . . 0.0 108.001 178.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.2 mttm -51.39 -36.53 43.89 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.185 -0.947 . . . . 0.0 108.825 179.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -69.62 -45.39 68.64 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.122 -0.986 . . . . 0.0 109.652 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.534 ' CZ ' HD11 ' A' ' 50' ' ' LEU . 46.7 t80 -53.83 -28.66 36.94 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.359 -0.838 . . . . 0.0 109.565 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 91.4 mt -78.22 -33.19 17.54 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.243 -0.911 . . . . 0.0 109.161 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.92 -41.9 61.42 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.262 -0.899 . . . . 0.0 109.992 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -64.19 -33.7 76.39 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.212 -0.93 . . . . 0.0 110.588 -178.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.534 HD11 ' CZ ' ' A' ' 46' ' ' TYR . 59.3 mt -72.89 -32.55 65.45 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 120.703 -1.248 . . . . 0.0 109.477 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -63.83 -29.49 70.68 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.728 -1.233 . . . . 0.0 108.833 179.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 77.1 t -82.81 -20.5 9.62 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.147 -0.97 . . . . 0.0 109.738 179.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -92.47 -8.37 44.84 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.061 -1.024 . . . . 0.0 109.587 -179.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 56' ' ' MET . 0.6 OUTLIER -120.04 -14.68 8.85 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 -179.442 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -50.66 -11.82 0.56 Allowed Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.354 -1.498 . . . . 0.0 109.354 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.464 ' N ' ' O ' ' A' ' 54' ' ' THR . 9.9 ttt 48.98 59.36 4.49 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.28 -1.129 . . . . 0.0 109.47 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.3 t -91.57 -161.44 0.82 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.217 -0.927 . . . . 0.0 109.19 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -172.96 100.41 0.13 Allowed 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.56 -0.713 . . . . 0.0 109.486 178.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.435 ' O ' ' O ' ' A' ' 60' ' ' ARG . 7.2 tpt180 64.1 168.14 0.16 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.256 -0.902 . . . . 0.0 109.196 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.435 ' O ' ' O ' ' A' ' 59' ' ' ARG . 36.8 mtt180 -49.04 176.45 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.213 -0.929 . . . . 0.0 109.579 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.583 ' CG ' HH11 ' A' ' 61' ' ' ARG . 3.7 mtt-85 -63.4 -44.24 95.24 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.192 -0.943 . . . . 0.0 109.454 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.3 0 CA-C-O 117.997 -1.446 . . . . 0.0 109.583 179.954 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.8 mmt . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.515 ' C ' ' H ' ' A' ' 4' ' ' GLN . 1.6 m -143.63 100.12 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.238 -0.914 . . . . 0.0 109.282 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.451 ' N ' ' CD ' ' A' ' 3' ' ' ARG . 10.6 mpt_? -70.15 13.4 0.16 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.788 -1.195 . . . . 0.0 109.374 179.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.515 ' H ' ' C ' ' A' ' 2' ' ' VAL . 82.7 mt-30 -43.21 -37.24 2.04 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.387 -0.821 . . . . 0.0 111.08 -179.469 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -76.51 -75.29 0.2 Allowed 'General case' 0 N--CA 1.501 2.084 0 O-C-N 120.728 -1.233 . . . . 0.0 109.896 -179.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.632 ' CD ' ' H ' ' A' ' 6' ' ' GLU . 2.0 pm0 -47.47 -33.09 5.79 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.115 -0.99 . . . . 0.0 109.679 -179.197 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 14.0 tp -55.95 -54.56 43.26 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.159 -0.963 . . . . 0.0 108.692 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.97 -33.59 38.51 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.47 -0.769 . . . . 0.0 110.235 -179.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.5 -34.96 76.81 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.119 -0.988 . . . . 0.0 110.078 -179.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.88 -39.68 79.64 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.122 -0.986 . . . . 0.0 109.954 -179.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -63.07 -35.03 78.88 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.157 -0.964 . . . . 0.0 109.101 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.69 -35.04 79.74 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.423 -0.798 . . . . 0.0 109.654 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.35 -38.52 91.46 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.053 -1.03 . . . . 0.0 109.423 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.0 tp -65.1 -34.75 79.16 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.096 -1.002 . . . . 0.0 108.806 179.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 15.2 t-80 -76.21 -38.73 56.07 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.197 -0.94 . . . . 0.0 110.451 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -77.26 -35.19 55.48 Favored 'General case' 0 C--N 1.296 -1.739 0 O-C-N 120.962 -1.087 . . . . 0.0 111.38 -178.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 53.8 mt -72.98 -29.41 63.03 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 120.724 -1.235 . . . . 0.0 110.702 -179.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.459 ' CG ' ' O ' ' A' ' 18' ' ' MET . 19.6 ttm -102.32 0.87 34.87 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 120.96 -1.087 . . . . 0.0 110.571 -178.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.5 m -94.47 -23.96 17.51 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.904 -1.123 . . . . 0.0 109.492 179.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 172.62 -79.42 0.08 OUTLIER Glycine 0 N--CA 1.491 2.341 0 C-N-CA 119.512 -1.327 . . . . 0.0 110.255 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.1 mtpt -47.21 137.82 7.67 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.161 -1.2 . . . . 0.0 109.468 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.03 -15.49 26.1 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.363 -0.835 . . . . 0.0 110.02 -179.538 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.2 p -109.0 148.89 12.52 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.203 0 CA-C-O 121.872 0.844 . . . . 0.0 111.495 -177.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.92 153.45 34.14 Favored 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 179.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.5 m -138.46 144.45 40.09 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.096 -1.002 . . . . 0.0 110.14 -179.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.7 m -145.38 168.47 8.33 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 121.196 -0.94 . . . . 0.0 108.88 178.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -102.0 120.01 39.72 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.334 -0.854 . . . . 0.0 108.974 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.1 mtmt -133.08 119.46 20.03 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.474 -0.766 . . . . 0.0 109.26 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.525 ' O ' ' N ' ' A' ' 31' ' ' ARG . 0.6 OUTLIER 53.08 56.94 6.83 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.337 -0.852 . . . . 0.0 110.084 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 48.73 8.64 0.07 OUTLIER Glycine 0 N--CA 1.493 2.474 0 N-CA-C 110.307 -1.117 . . . . 0.0 110.307 179.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.525 ' N ' ' O ' ' A' ' 29' ' ' ASP . 57.4 ttt180 -116.21 138.63 51.12 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.154 -1.203 . . . . 0.0 109.774 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -99.54 134.16 42.81 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.636 -0.665 . . . . 0.0 109.322 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 57.8 t -137.75 142.61 35.82 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.066 0 O-C-N 121.294 -0.879 . . . . 0.0 109.179 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -98.12 154.84 17.46 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.529 -0.732 . . . . 0.0 110.081 -179.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -136.27 136.02 39.47 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 179.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 38' ' ' THR . 8.3 p -118.16 152.73 35.08 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.587 -0.695 . . . . 0.0 109.225 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.96 -18.0 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.4 -0.813 . . . . 0.0 110.64 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 36' ' ' THR . 3.8 p -70.19 -23.65 62.99 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.668 -1.27 . . . . 0.0 110.352 -179.179 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.506 ' O ' ' N ' ' A' ' 41' ' ' SER . 94.2 p -112.32 16.12 20.1 Favored 'General case' 0 N--CA 1.503 2.214 0 O-C-N 121.181 -0.949 . . . . 0.0 109.872 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.0 p -48.95 -11.66 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.127 -0.983 . . . . 0.0 109.638 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.506 ' N ' ' O ' ' A' ' 39' ' ' SER . 47.7 t -84.45 -52.86 5.84 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.926 -1.109 . . . . 0.0 110.625 -179.728 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.556 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 46.2 p-10 -59.88 -24.71 64.49 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.87 -1.144 . . . . 0.0 109.639 -179.286 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.556 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 7.4 tp -74.64 -42.39 58.64 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.949 -1.095 . . . . 0.0 108.452 179.077 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.1 mttp -51.55 -34.44 36.65 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.061 -1.024 . . . . 0.0 108.926 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.6 ttpm? -70.61 -44.16 67.84 Favored 'General case' 0 C--N 1.305 -1.354 0 O-C-N 121.118 -0.989 . . . . 0.0 109.555 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.582 ' CZ ' HD11 ' A' ' 50' ' ' LEU . 32.0 t80 -55.16 -27.54 46.41 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.322 -0.861 . . . . 0.0 109.468 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 89.0 mt -79.37 -32.54 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.156 -0.965 . . . . 0.0 108.831 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.18 -48.21 37.19 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.378 -0.826 . . . . 0.0 110.275 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -58.87 -42.43 89.44 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.093 -1.004 . . . . 0.0 110.295 -179.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.582 HD11 ' CZ ' ' A' ' 46' ' ' TYR . 41.6 mt -62.58 -32.37 73.34 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 120.723 -1.236 . . . . 0.0 109.254 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -64.14 -29.99 71.08 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.805 -1.184 . . . . 0.0 109.467 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 71.5 t -82.91 -20.79 9.37 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 O-C-N 120.907 -1.121 . . . . 0.0 110.068 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 48.0 mm-40 -92.47 -8.42 44.7 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.887 -1.133 . . . . 0.0 109.474 -179.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -118.93 -22.56 7.26 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 -179.645 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -63.98 -31.79 82.0 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.345 -1.502 . . . . 0.0 109.345 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.438 ' O ' ' O ' ' A' ' 57' ' ' THR . 46.1 mtp 51.53 17.47 0.56 Allowed 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.232 -1.158 . . . . 0.0 109.062 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.438 ' O ' ' O ' ' A' ' 56' ' ' MET . 0.4 OUTLIER 58.43 158.17 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.462 -0.774 . . . . 0.0 109.299 179.904 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.409 ' H ' ' H ' ' A' ' 59' ' ' ARG . 22.3 tt0 -172.01 -11.3 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.325 -0.859 . . . . 0.0 109.317 179.488 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.57 ' CG ' HH11 ' A' ' 59' ' ' ARG . 0.3 OUTLIER -152.94 98.9 2.36 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.319 -0.863 . . . . 0.0 109.399 -179.867 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 55.0 ttt180 -162.03 50.77 0.21 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.4 -0.813 . . . . 0.0 109.328 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.583 ' CG ' HH11 ' A' ' 61' ' ' ARG . 3.5 mtt-85 -78.67 -50.47 11.39 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.21 -0.931 . . . . 0.0 109.49 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.239 0 CA-C-O 118.054 -1.415 . . . . 0.0 109.574 179.964 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.497 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.6 mpt? . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.499 ' C ' ' H ' ' A' ' 4' ' ' GLN . 2.3 m -144.08 88.0 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 121.174 -0.954 . . . . 0.0 109.601 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -73.26 16.59 0.17 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.887 -1.133 . . . . 0.0 108.867 179.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.499 ' H ' ' C ' ' A' ' 2' ' ' VAL . 27.8 mt-30 -43.62 -34.08 1.35 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.426 -0.796 . . . . 0.0 111.316 -179.418 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -77.5 -76.09 0.19 Allowed 'General case' 0 N--CA 1.502 2.139 0 O-C-N 120.67 -1.269 . . . . 0.0 109.949 -179.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -47.15 -33.16 4.9 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.177 -0.952 . . . . 0.0 110.035 -179.093 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.9 tp -58.15 -54.6 45.12 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.163 -0.961 . . . . 0.0 108.995 179.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.49 -33.84 46.68 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.408 -0.807 . . . . 0.0 110.334 -179.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.75 -35.53 77.22 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.058 -1.026 . . . . 0.0 110.146 -179.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.68 -40.4 84.4 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.119 -0.988 . . . . 0.0 109.885 -179.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 66.9 mtm180 -60.92 -35.76 77.55 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.192 -0.942 . . . . 0.0 109.236 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.86 -39.29 93.98 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.403 -0.811 . . . . 0.0 109.621 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.75 -39.77 81.92 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.127 -0.983 . . . . 0.0 109.333 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.9 tp -61.49 -33.76 74.33 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.033 -1.042 . . . . 0.0 108.675 179.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -76.61 -40.9 48.02 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.269 -0.894 . . . . 0.0 110.775 -179.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -76.47 -31.08 57.57 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 120.947 -1.096 . . . . 0.0 111.471 -178.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 75.3 mt -77.65 -28.34 51.26 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 120.612 -1.305 . . . . 0.0 110.852 -178.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.437 ' CG ' ' O ' ' A' ' 18' ' ' MET . 21.3 ttm -102.7 0.06 32.47 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 120.841 -1.162 . . . . 0.0 110.516 -179.27 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.2 m -96.94 -23.28 16.39 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.051 -1.031 . . . . 0.0 109.698 179.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 166.71 -73.2 0.16 Allowed Glycine 0 N--CA 1.492 2.386 0 C-N-CA 119.614 -1.279 . . . . 0.0 109.98 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.4 mmmt -44.93 129.88 7.34 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.304 -1.115 . . . . 0.0 109.226 -179.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.558 ' CG ' HH11 ' A' ' 22' ' ' ARG . 0.2 OUTLIER -92.92 -14.85 27.05 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.253 -0.905 . . . . 0.0 110.26 -179.289 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 98.1 t -113.01 147.98 16.28 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.155 0 O-C-N 121.262 -0.899 . . . . 0.0 110.487 -178.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -151.32 152.06 32.64 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 179.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.5 p -122.39 156.01 34.86 Favored 'General case' 0 N--CA 1.503 2.224 0 O-C-N 121.406 -0.809 . . . . 0.0 109.846 -179.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.9 t -143.83 135.23 22.45 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.257 -0.902 . . . . 0.0 108.933 179.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.435 ' N ' ' CD ' ' A' ' 27' ' ' GLN . 23.7 mp0 -84.12 103.16 13.1 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.227 -0.921 . . . . 0.0 109.208 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.5 mtmm -132.81 131.16 40.76 Favored 'General case' 0 N--CA 1.5 2.055 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.535 ' O ' ' N ' ' A' ' 31' ' ' ARG . 3.4 m-20 52.58 54.65 10.26 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.319 -0.863 . . . . 0.0 110.049 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 46.28 12.91 0.06 OUTLIER Glycine 0 N--CA 1.492 2.429 0 N-CA-C 110.251 -1.14 . . . . 0.0 110.251 179.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.565 ' CG ' HH11 ' A' ' 31' ' ' ARG . 0.0 OUTLIER -124.87 149.85 47.09 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.232 -1.158 . . . . 0.0 109.739 -179.704 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 70.9 mtm180 -103.46 134.91 46.03 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.594 -0.691 . . . . 0.0 109.188 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 53.6 t -122.32 148.39 25.99 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.238 0 O-C-N 121.377 -0.827 . . . . 0.0 109.023 179.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -106.48 152.61 23.43 Favored 'General case' 0 N--CA 1.499 2.002 0 CA-C-O 121.799 0.809 . . . . 0.0 110.647 -178.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -140.53 135.78 32.22 Favored 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 38' ' ' THR . 5.9 p -118.71 153.44 34.38 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.528 -0.733 . . . . 0.0 109.226 179.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.27 -18.01 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.324 -0.86 . . . . 0.0 110.761 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.463 ' N ' ' O ' ' A' ' 36' ' ' THR . 3.4 p -69.54 -23.49 63.58 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.727 -1.233 . . . . 0.0 110.194 -179.331 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.439 ' O ' ' OD1' ' A' ' 42' ' ' ASP . 91.3 p -112.71 16.74 19.53 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.212 -0.93 . . . . 0.0 110.099 -179.572 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.0 p -50.54 -12.77 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 121.002 -1.061 . . . . 0.0 109.638 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 39' ' ' SER . 44.8 t -85.28 -52.89 5.58 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.918 -1.114 . . . . 0.0 110.581 -179.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.544 ' OD1' ' N ' ' A' ' 43' ' ' LEU . 28.0 p-10 -60.08 -23.8 64.09 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.884 -1.135 . . . . 0.0 109.43 -179.389 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.544 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 8.9 tp -74.28 -42.18 60.01 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 120.941 -1.099 . . . . 0.0 108.113 179.027 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 38.5 mttm -51.52 -36.49 44.99 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.11 -0.994 . . . . 0.0 108.897 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -70.99 -45.75 63.47 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.108 -0.995 . . . . 0.0 109.91 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -53.82 -29.19 39.62 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.245 -0.909 . . . . 0.0 109.263 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 86.7 mt -78.87 -32.75 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.234 -0.916 . . . . 0.0 108.923 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.9 -38.67 64.28 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.336 -0.853 . . . . 0.0 109.915 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -66.82 -34.77 78.55 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.194 -0.941 . . . . 0.0 110.491 -179.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 50' ' ' LEU . 47.7 mt -71.61 -32.11 67.65 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 120.718 -1.239 . . . . 0.0 109.427 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -66.35 -29.33 69.49 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.825 -1.172 . . . . 0.0 109.279 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 70.5 t -82.03 -20.88 10.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.003 -1.061 . . . . 0.0 109.825 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -91.49 -8.53 47.4 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.984 -1.072 . . . . 0.0 108.852 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -123.86 -40.33 2.32 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 -179.642 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -80.75 -168.03 38.35 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.603 ' N ' ' SD ' ' A' ' 56' ' ' MET . 0.0 OUTLIER -157.27 27.65 0.3 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.929 -1.336 . . . . 0.0 109.407 179.883 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.43 ' O ' ' O ' ' A' ' 56' ' ' MET . 0.4 OUTLIER 59.14 153.54 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.619 -0.675 . . . . 0.0 109.587 179.752 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 60.2 tp60 -172.19 -30.34 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.398 -0.814 . . . . 0.0 109.288 179.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -56.95 150.8 15.99 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.249 -0.907 . . . . 0.0 109.454 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 -174.22 -22.85 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.346 -0.846 . . . . 0.0 109.337 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 41.8 mtp180 -69.82 -158.09 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.287 -0.883 . . . . 0.0 109.441 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.302 0 CA-C-O 117.963 -1.465 . . . . 0.0 109.536 179.929 . . . . . . . . 0 0 . 1 stop_ save_