data_2mag_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 2mag _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . 0.583 ' C ' ' H ' ' A' ' 3' ' ' GLY . . . . . . . . 0 CA--C 1.526 0.762 0 CA-C-O 121.833 0.685 . . . . 0.0 112.88 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.7 tt -76.69 26.44 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 CA-C-N 113.084 -1.558 . . . . 0.0 110.561 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.583 ' H ' ' C ' ' A' ' 1' ' ' GLY . . . -123.72 -47.11 0.25 Allowed Glycine 0 C--N 1.35 1.355 0 C-N-CA 118.68 -1.724 . . . . 0.0 111.16 179.537 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.482 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 18.9 pttp -68.48 -43.44 76.92 Favored 'General case' 0 C--N 1.346 0.414 0 CA-C-N 112.853 -1.674 . . . . 0.0 109.648 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.482 ' N ' ' CG ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -52.83 -47.25 67.83 Favored 'General case' 0 C--N 1.348 0.517 0 CA-C-N 113.119 -1.855 . . . . 0.0 109.498 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.516 ' N ' ' CD1' ' A' ' 6' ' ' LEU . 5.9 mp -60.27 -41.07 92.53 Favored 'General case' 0 C--N 1.343 0.313 0 CA-C-N 112.814 -1.994 . . . . 0.0 109.904 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 -56.39 -45.72 80.48 Favored 'General case' 0 C--N 1.346 0.426 0 CA-C-N 113.149 -1.841 . . . . 0.0 109.842 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.2 t -62.64 -46.3 88.88 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 112.985 -1.916 . . . . 0.0 109.785 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -43.86 -43.49 6.35 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 112.943 -1.935 . . . . 0.0 109.801 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 11' ' ' LYS . 34.4 ttmt -63.61 -70.35 0.22 Allowed 'General case' 0 C--N 1.345 0.404 0 CA-C-N 112.971 -1.922 . . . . 0.0 109.704 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 10' ' ' LYS . 9.6 mttp -41.26 -69.54 0.13 Allowed 'General case' 0 C--N 1.343 0.311 0 CA-C-N 113.025 -1.898 . . . . 0.0 109.742 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.409 ' C ' ' O ' ' A' ' 11' ' ' LYS . 0.2 OUTLIER -42.48 -40.55 2.64 Favored 'General case' 0 C--N 1.345 0.38 0 CA-C-N 113.097 -1.865 . . . . 0.0 109.681 179.85 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.419 ' O ' HG22 ' A' ' 17' ' ' VAL . . . -55.69 -51.72 53.14 Favored Glycine 0 C--N 1.346 1.108 0 CA-C-N 113.151 -1.84 . . . . 0.0 111.61 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -53.75 -48.28 69.84 Favored 'General case' 0 C--N 1.346 0.433 0 CA-C-N 112.972 -1.614 . . . . 0.0 109.505 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.36 -36.58 63.99 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 112.811 -1.995 . . . . 0.0 109.955 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -67.38 -45.2 76.94 Favored 'General case' 0 C--N 1.347 0.481 0 CA-C-N 113.35 -1.75 . . . . 0.0 109.714 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.419 HG22 ' O ' ' A' ' 13' ' ' GLY . 86.8 t -55.08 -41.97 62.38 Favored 'Isoleucine or valine' 0 C--N 1.345 0.394 0 CA-C-N 112.952 -1.931 . . . . 0.0 109.798 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.62 -31.51 81.01 Favored Glycine 0 C--N 1.344 1.007 0 CA-C-N 113.142 -1.845 . . . . 0.0 112.311 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -67.72 -43.6 79.64 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-N 113.47 -1.365 . . . . 0.0 109.759 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 33.6 mm -66.35 -46.17 87.65 Favored 'Isoleucine or valine' 0 C--N 1.346 0.441 0 CA-C-N 113.135 -1.848 . . . . 0.0 109.562 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.4 ttt . . . . . 0 C--N 1.344 0.337 0 CA-C-N 113.039 -1.892 . . . . 0.0 109.56 179.881 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . 0.42 ' H3 ' ' HB3' ' A' ' 4' ' ' LYS . . . . . . . . 0 CA--C 1.525 0.686 0 CA-C-O 122.012 0.785 . . . . 0.0 112.968 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.419 ' CG2' ' N ' ' A' ' 3' ' ' GLY . 18.6 tt -71.96 -41.66 68.7 Favored 'Isoleucine or valine' 0 C--N 1.346 0.439 0 CA-C-N 112.864 -1.668 . . . . 0.0 109.716 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.419 ' N ' ' CG2' ' A' ' 2' ' ' ILE . . . -69.48 -41.06 78.27 Favored Glycine 0 C--N 1.346 1.086 0 CA-C-N 113.35 -1.75 . . . . 0.0 111.663 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.42 ' HB3' ' H3 ' ' A' ' 1' ' ' GLY . 13.1 tmtt? -52.41 -42.72 64.31 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 112.988 -1.606 . . . . 0.0 109.772 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.527 ' HA ' ' HG ' ' A' ' 8' ' ' SER . 74.4 t80 -54.92 -34.86 63.57 Favored 'General case' 0 C--N 1.346 0.447 0 CA-C-N 113.001 -1.909 . . . . 0.0 110.458 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.418 ' HB2' ' O ' ' A' ' 3' ' ' GLY . 64.9 mt -59.43 -43.51 93.07 Favored 'General case' 0 C--N 1.347 0.457 0 CA-C-N 113.609 -1.632 . . . . 0.0 110.215 -179.506 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 64.0 t-80 -59.39 -45.3 91.84 Favored 'General case' 0 C--N 1.342 0.265 0 CA-C-N 113.178 -1.828 . . . . 0.0 109.961 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.527 ' HG ' ' HA ' ' A' ' 5' ' ' PHE . 61.0 p -66.21 -33.24 75.32 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 113.086 -1.87 . . . . 0.0 110.66 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.409 ' HB2' ' O ' ' A' ' 6' ' ' LEU . . . -46.19 -41.73 13.1 Favored 'General case' 0 C--N 1.344 0.354 0 CA-C-N 113.658 -1.61 . . . . 0.0 110.12 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.9 mtmt -72.91 -37.49 67.22 Favored 'General case' 0 C--N 1.345 0.388 0 CA-C-N 113.305 -1.77 . . . . 0.0 110.432 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.485 ' HZ2' ' HB2' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -55.69 -57.85 10.28 Favored 'General case' 0 C--N 1.346 0.429 0 CA-C-N 113.61 -1.632 . . . . 0.0 109.727 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -50.6 -54.32 23.65 Favored 'General case' 0 C--N 1.345 0.377 0 CA-C-N 112.848 -1.978 . . . . 0.0 109.925 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.404 ' O ' HG22 ' A' ' 17' ' ' VAL . . . -48.22 -48.36 26.5 Favored Glycine 0 C--N 1.342 0.911 0 CA-C-N 112.775 -2.011 . . . . 0.0 112.173 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.6 tmtm? -48.28 -42.81 31.77 Favored 'General case' 0 C--N 1.344 0.355 0 CA-C-N 113.192 -1.504 . . . . 0.0 109.816 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.79 -38.37 83.27 Favored 'General case' 0 C--N 1.345 0.402 0 CA-C-N 112.953 -1.93 . . . . 0.0 110.234 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -56.04 -42.93 77.31 Favored 'General case' 0 C--N 1.346 0.427 0 CA-C-N 113.363 -1.744 . . . . 0.0 109.625 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.404 HG22 ' O ' ' A' ' 13' ' ' GLY . 46.5 t -63.4 -47.32 92.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 CA-C-N 112.924 -1.944 . . . . 0.0 109.58 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -55.26 -32.02 57.0 Favored Glycine 0 C--N 1.344 0.972 0 CA-C-N 112.656 -2.065 . . . . 0.0 112.506 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -67.47 -40.68 85.34 Favored 'General case' 0 C--N 1.346 0.431 0 CA-C-N 113.506 -1.347 . . . . 0.0 109.868 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 45.0 mm -59.69 -59.07 4.49 Favored 'Isoleucine or valine' 0 C--N 1.345 0.412 0 CA-C-N 113.389 -1.732 . . . . 0.0 109.545 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.472 ' SD ' ' C ' ' A' ' 21' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.346 0.455 0 CA-C-N 113.073 -1.876 . . . . 0.0 109.727 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . 0.599 ' C ' ' H ' ' A' ' 3' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.714 0 CA-C-O 121.916 0.731 . . . . 0.0 112.939 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -75.92 27.79 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 CA-C-N 112.934 -1.633 . . . . 0.0 110.431 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.599 ' H ' ' C ' ' A' ' 1' ' ' GLY . . . -137.86 -44.21 0.08 OUTLIER Glycine 0 C--N 1.351 1.368 0 C-N-CA 118.655 -1.736 . . . . 0.0 111.461 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.0 ttmm -66.93 -43.55 82.98 Favored 'General case' 0 C--N 1.345 0.403 0 CA-C-N 112.905 -1.648 . . . . 0.0 109.707 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -44.45 -65.33 0.53 Allowed 'General case' 0 C--N 1.347 0.488 0 CA-C-N 113.09 -1.868 . . . . 0.0 109.556 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.533 ' CD1' ' H ' ' A' ' 6' ' ' LEU . 6.8 mp -49.28 -46.13 45.94 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 112.727 -2.033 . . . . 0.0 109.682 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -48.11 -40.42 23.41 Favored 'General case' 0 C--N 1.343 0.313 0 CA-C-N 112.849 -1.978 . . . . 0.0 110.111 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.3 t -74.12 -31.37 62.73 Favored 'General case' 0 C--N 1.345 0.379 0 CA-C-N 113.119 -1.855 . . . . 0.0 110.751 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.412 ' HB2' ' O ' ' A' ' 6' ' ' LEU . . . -48.95 -47.24 44.04 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 113.726 -1.579 . . . . 0.0 109.946 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -63.19 -57.57 10.08 Favored 'General case' 0 C--N 1.345 0.396 0 CA-C-N 113.194 -1.821 . . . . 0.0 109.896 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -46.25 -33.65 3.86 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 112.833 -1.985 . . . . 0.0 110.489 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -67.61 -47.61 69.2 Favored 'General case' 0 C--N 1.348 0.505 0 CA-C-N 113.736 -1.575 . . . . 0.0 109.625 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.95 -39.17 32.54 Favored Glycine 0 C--N 1.344 0.979 0 CA-C-N 112.827 -1.988 . . . . 0.0 111.639 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -61.84 -46.35 89.86 Favored 'General case' 0 C--N 1.346 0.416 0 CA-C-N 112.978 -1.611 . . . . 0.0 109.637 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.75 -31.39 69.59 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 112.707 -2.042 . . . . 0.0 110.497 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -60.0 -45.36 93.0 Favored 'General case' 0 C--N 1.347 0.464 0 CA-C-N 113.45 -1.704 . . . . 0.0 109.798 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 95.6 t -56.78 -39.99 67.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-N 112.877 -1.965 . . . . 0.0 109.919 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.03 -36.63 92.6 Favored Glycine 0 C--N 1.345 1.06 0 CA-C-N 113.189 -1.823 . . . . 0.0 112.238 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -66.7 -39.78 88.21 Favored 'General case' 0 C--N 1.346 0.444 0 CA-C-N 113.293 -1.454 . . . . 0.0 110.011 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 13.9 mm -57.28 -46.09 85.09 Favored 'Isoleucine or valine' 0 C--N 1.346 0.456 0 CA-C-N 113.497 -1.683 . . . . 0.0 109.589 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 5.3 ttm . . . . . 0 N--CA 1.451 -0.403 0 CA-C-N 113.119 -1.855 . . . . 0.0 109.518 179.96 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . 0.407 ' O ' ' HB2' ' A' ' 5' ' ' PHE . . . . . . . . 0 CA--C 1.525 0.703 0 CA-C-O 121.905 0.725 . . . . 0.0 113.002 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.413 ' O ' ' HG ' ' A' ' 6' ' ' LEU . 5.3 tt -87.35 -47.42 15.85 Favored 'Isoleucine or valine' 0 C--N 1.347 0.461 0 CA-C-N 113.074 -1.563 . . . . 0.0 109.573 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.58 -36.94 80.42 Favored Glycine 0 C--N 1.344 0.975 0 CA-C-N 113.043 -1.889 . . . . 0.0 111.987 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 44.3 tttp -72.06 -52.35 17.3 Favored 'General case' 0 C--N 1.347 0.488 0 CA-C-N 113.089 -1.556 . . . . 0.0 109.806 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.407 ' HB2' ' O ' ' A' ' 1' ' ' GLY . 2.4 t80 -45.4 -50.68 12.18 Favored 'General case' 0 C--N 1.346 0.416 0 CA-C-N 113.16 -1.836 . . . . 0.0 110.123 -179.295 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 2' ' ' ILE . 89.0 mt -51.17 -57.98 7.35 Favored 'General case' 0 C--N 1.343 0.304 0 CA-C-N 112.958 -1.928 . . . . 0.0 110.367 -179.562 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 51.4 m170 -45.91 -42.81 13.22 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-N 112.957 -1.928 . . . . 0.0 110.333 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 11' ' ' LYS . 36.5 t -64.66 -40.72 95.92 Favored 'General case' 0 C--N 1.344 0.345 0 CA-C-N 113.193 -1.822 . . . . 0.0 110.342 -179.572 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.411 ' HB2' ' O ' ' A' ' 6' ' ' LEU . . . -46.21 -43.84 15.66 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 113.34 -1.754 . . . . 0.0 109.698 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -47.2 -43.55 21.57 Favored 'General case' 0 C--N 1.345 0.391 0 CA-C-N 113.153 -1.84 . . . . 0.0 109.872 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 8' ' ' SER . 23.3 ttmt -60.5 -48.09 83.3 Favored 'General case' 0 C--N 1.344 0.358 0 CA-C-N 113.161 -1.836 . . . . 0.0 109.581 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -51.71 -42.36 62.17 Favored 'General case' 0 C--N 1.345 0.407 0 CA-C-N 112.916 -1.947 . . . . 0.0 109.921 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.411 ' O ' HG21 ' A' ' 17' ' ' VAL . . . -47.73 -40.57 18.33 Favored Glycine 0 C--N 1.345 1.037 0 CA-C-N 113.113 -1.858 . . . . 0.0 112.055 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -62.41 -60.86 2.95 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 113.119 -1.54 . . . . 0.0 109.843 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.2 -31.54 20.72 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 112.821 -1.99 . . . . 0.0 110.529 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.409 ' O ' HG12 ' A' ' 20' ' ' ILE . 11.8 t80 -57.75 -43.33 85.36 Favored 'General case' 0 C--N 1.349 0.555 0 CA-C-N 113.591 -1.64 . . . . 0.0 109.783 -179.626 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.411 HG21 ' O ' ' A' ' 13' ' ' GLY . 54.0 t -59.73 -45.78 94.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 CA-C-N 113.065 -1.88 . . . . 0.0 109.561 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.59 -32.13 77.24 Favored Glycine 0 C--N 1.345 1.048 0 CA-C-N 112.862 -1.972 . . . . 0.0 112.288 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -67.68 -37.3 82.13 Favored 'General case' 0 C--N 1.345 0.409 0 CA-C-N 113.361 -1.419 . . . . 0.0 110.123 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.409 HG12 ' O ' ' A' ' 16' ' ' PHE . 44.9 mm -68.19 -43.7 84.69 Favored 'Isoleucine or valine' 0 C--N 1.347 0.477 0 CA-C-N 113.588 -1.642 . . . . 0.0 109.679 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.345 0.408 0 CA-C-N 113.092 -1.867 . . . . 0.0 109.814 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . 0.65 ' H3 ' ' HE3' ' A' ' 4' ' ' LYS . . . . . . . . 0 CA--C 1.528 0.875 0 CA-C-O 121.861 0.701 . . . . 0.0 113.282 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.429 ' O ' HG13 ' A' ' 2' ' ' ILE . 11.2 tp -82.28 32.35 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 CA-C-N 113.159 -1.52 . . . . 0.0 110.42 -179.679 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.482 ' H ' ' C ' ' A' ' 1' ' ' GLY . . . -126.91 -47.32 0.19 Allowed Glycine 0 C--N 1.351 1.404 0 C-N-CA 118.556 -1.783 . . . . 0.0 111.102 179.189 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.65 ' HE3' ' H3 ' ' A' ' 1' ' ' GLY . 0.0 OUTLIER -76.2 -38.67 56.21 Favored 'General case' 0 C--N 1.343 0.325 0 CA-C-N 112.64 -1.78 . . . . 0.0 109.382 179.226 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -47.38 -70.97 0.08 Allowed 'General case' 0 C--N 1.349 0.567 0 CA-C-N 113.028 -1.896 . . . . 0.0 109.752 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.4 mt -47.65 -47.67 29.18 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 112.766 -2.015 . . . . 0.0 110.028 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.406 ' HB2' ' O ' ' A' ' 3' ' ' GLY . 35.0 t60 -49.87 -40.44 42.64 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 112.76 -2.018 . . . . 0.0 110.373 -179.669 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.1 m -69.88 -57.43 5.07 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 113.077 -1.874 . . . . 0.0 110.135 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -41.58 -35.88 0.82 Allowed 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 112.702 -2.045 . . . . 0.0 110.523 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.585 ' HZ3' ' HB2' ' A' ' 10' ' ' LYS . 2.3 ttmp? -80.88 -48.26 12.62 Favored 'General case' 0 C--N 1.345 0.381 0 CA-C-N 113.28 -1.782 . . . . 0.0 110.311 -179.266 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.8 tttm -56.72 -65.48 0.61 Allowed 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 113.198 -1.819 . . . . 0.0 109.465 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -52.49 -39.11 60.85 Favored 'General case' 0 C--N 1.345 0.379 0 CA-C-N 112.979 -1.919 . . . . 0.0 110.121 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.4 ' O ' HG21 ' A' ' 17' ' ' VAL . . . -63.73 -31.42 80.73 Favored Glycine 0 CA--C 1.531 1.081 0 CA-C-N 113.23 -1.805 . . . . 0.0 112.468 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.2 tptt -66.55 -45.78 78.26 Favored 'General case' 0 C--N 1.346 0.447 0 CA-C-N 113.45 -1.375 . . . . 0.0 109.902 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.47 -32.49 71.45 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 113.066 -1.879 . . . . 0.0 110.315 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -63.93 -59.11 4.92 Favored 'General case' 0 C--N 1.348 0.506 0 CA-C-N 113.597 -1.638 . . . . 0.0 109.275 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.4 HG21 ' O ' ' A' ' 13' ' ' GLY . 59.5 t -51.85 -41.55 30.53 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 CA-C-N 112.554 -2.112 . . . . 0.0 109.829 179.707 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -49.04 -39.07 25.79 Favored Glycine 0 C--N 1.346 1.088 0 CA-C-N 113.051 -1.886 . . . . 0.0 112.004 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -67.74 -38.43 83.5 Favored 'General case' 0 C--N 1.346 0.431 0 CA-C-N 113.219 -1.491 . . . . 0.0 110.16 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' A' ' 21' ' ' MET . 1.6 mp -60.6 -43.7 95.23 Favored 'Isoleucine or valine' 0 C--N 1.346 0.428 0 CA-C-N 113.584 -1.644 . . . . 0.0 109.715 -179.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.569 ' SD ' ' C ' ' A' ' 21' ' ' MET . 0.1 OUTLIER . . . . . 0 C--N 1.346 0.434 0 CA-C-N 113.35 -1.75 . . . . 0.0 109.685 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.795 0 CA-C-O 121.886 0.714 . . . . 0.0 112.924 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.7 tp -73.55 -42.9 55.77 Favored 'Isoleucine or valine' 0 C--N 1.345 0.404 0 CA-C-N 113.034 -1.583 . . . . 0.0 109.706 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -78.08 -49.05 7.18 Favored Glycine 0 C--N 1.344 1.008 0 CA-C-N 113.268 -1.787 . . . . 0.0 111.817 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.422 ' O ' ' HB3' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -47.75 -40.81 21.63 Favored 'General case' 0 C--N 1.346 0.42 0 CA-C-N 113.046 -1.577 . . . . 0.0 109.966 -179.757 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.405 ' H ' ' HG3' ' A' ' 4' ' ' LYS . 0.3 OUTLIER -45.87 -57.45 4.33 Favored 'General case' 0 C--N 1.347 0.471 0 CA-C-N 113.514 -1.675 . . . . 0.0 109.604 -179.77 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 9' ' ' ALA . 80.4 mt -43.16 -55.61 3.83 Favored 'General case' 0 C--N 1.342 0.251 0 CA-C-N 113.034 -1.894 . . . . 0.0 110.103 -179.615 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.422 ' HB3' ' O ' ' A' ' 4' ' ' LYS . 49.6 t-80 -43.41 -45.92 6.43 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 112.91 -1.95 . . . . 0.0 110.159 -179.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 42.0 m -70.43 -36.92 74.26 Favored 'General case' 0 C--N 1.342 0.269 0 CA-C-N 112.93 -1.941 . . . . 0.0 110.827 -179.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 13' ' ' GLY . . . -52.08 -37.05 52.68 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 113.444 -1.707 . . . . 0.0 110.384 -179.518 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -65.45 -64.38 0.88 Allowed 'General case' 0 C--N 1.346 0.42 0 CA-C-N 113.465 -1.698 . . . . 0.0 109.825 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -45.84 -64.72 0.67 Allowed 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 112.899 -1.955 . . . . 0.0 109.738 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.426 ' O ' ' HB1' ' A' ' 15' ' ' ALA . 0.5 OUTLIER -49.94 -45.29 51.04 Favored 'General case' 0 C--N 1.345 0.391 0 CA-C-N 112.991 -1.913 . . . . 0.0 109.66 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . -43.26 -52.65 5.98 Favored Glycine 0 C--N 1.343 0.942 0 CA-C-N 112.912 -1.949 . . . . 0.0 112.054 -179.646 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.414 ' HD3' ' O ' ' A' ' 14' ' ' LYS . 5.9 tmtt? -53.45 -44.56 68.98 Favored 'General case' 0 C--N 1.344 0.363 0 CA-C-N 113.087 -1.557 . . . . 0.0 109.666 -179.751 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.426 ' HB1' ' O ' ' A' ' 12' ' ' PHE . . . -60.8 -37.17 81.02 Favored 'General case' 0 C--N 1.344 0.335 0 CA-C-N 112.797 -2.002 . . . . 0.0 110.38 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.422 ' O ' HG12 ' A' ' 20' ' ' ILE . 0.3 OUTLIER -54.71 -49.98 69.42 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 113.421 -1.718 . . . . 0.0 109.327 -179.721 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 42.0 t -56.47 -45.41 81.92 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-N 112.602 -2.09 . . . . 0.0 109.868 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.08 -35.56 70.09 Favored Glycine 0 C--N 1.343 0.955 0 CA-C-N 112.974 -1.921 . . . . 0.0 112.279 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -74.46 -42.45 59.06 Favored 'General case' 0 C--N 1.345 0.412 0 CA-C-N 113.283 -1.459 . . . . 0.0 110.09 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.422 HG12 ' O ' ' A' ' 16' ' ' PHE . 18.6 mm -48.75 -49.23 14.91 Favored 'Isoleucine or valine' 0 C--N 1.345 0.411 0 CA-C-N 113.487 -1.688 . . . . 0.0 109.605 -179.684 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.345 0.387 0 CA-C-N 113.126 -1.852 . . . . 0.0 110.152 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.716 0 CA-C-O 121.959 0.755 . . . . 0.0 112.895 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -79.49 -43.32 23.46 Favored 'Isoleucine or valine' 0 C--N 1.345 0.404 0 CA-C-N 112.891 -1.655 . . . . 0.0 109.724 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -71.7 -35.44 62.3 Favored Glycine 0 C--N 1.345 1.068 0 CA-C-N 113.091 -1.868 . . . . 0.0 111.895 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.414 ' O ' ' HB3' ' A' ' 7' ' ' HIS . 14.7 tttt -59.02 -53.83 54.02 Favored 'General case' 0 C--N 1.348 0.521 0 CA-C-N 113.22 -1.49 . . . . 0.0 109.418 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.549 ' HA ' ' HG ' ' A' ' 8' ' ' SER . 0.7 OUTLIER -51.78 -62.93 1.32 Allowed 'General case' 0 C--N 1.345 0.383 0 CA-C-N 112.971 -1.922 . . . . 0.0 109.689 -179.899 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 80.1 mt -42.56 -38.47 1.98 Allowed 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 112.879 -1.964 . . . . 0.0 110.531 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.414 ' HB3' ' O ' ' A' ' 4' ' ' LYS . 71.9 t60 -66.22 -48.5 70.35 Favored 'General case' 0 C--N 1.345 0.411 0 CA-C-N 113.572 -1.649 . . . . 0.0 110.173 -179.482 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.549 ' HG ' ' HA ' ' A' ' 5' ' ' PHE . 84.5 p -55.43 -50.7 69.11 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 112.942 -1.936 . . . . 0.0 110.063 -179.378 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.9 -41.9 58.9 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 113.055 -1.884 . . . . 0.0 110.379 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.0 mtpt -66.61 -42.56 86.66 Favored 'General case' 0 C--N 1.345 0.379 0 CA-C-N 113.285 -1.78 . . . . 0.0 110.558 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -60.64 -37.46 81.59 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 113.209 -1.814 . . . . 0.0 110.163 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -72.47 -42.61 64.75 Favored 'General case' 0 C--N 1.346 0.425 0 CA-C-N 113.46 -1.7 . . . . 0.0 109.937 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.403 ' O ' ' HB3' ' A' ' 16' ' ' PHE . . . -58.27 -42.22 95.36 Favored Glycine 0 C--N 1.342 0.891 0 C-N-CA 118.445 -1.836 . . . . 0.0 111.319 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.43 -52.62 64.88 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 112.931 -1.634 . . . . 0.0 109.455 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.83 -27.8 68.34 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 112.679 -2.055 . . . . 0.0 110.62 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.42 ' O ' ' HB3' ' A' ' 19' ' ' GLU . 10.7 t80 -61.56 -49.28 77.31 Favored 'General case' 0 C--N 1.347 0.498 0 CA-C-N 113.762 -1.563 . . . . 0.0 109.576 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 69.2 t -59.23 -44.44 92.01 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-N 112.717 -2.038 . . . . 0.0 109.81 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -56.86 -25.81 53.29 Favored Glycine 0 CA--C 1.532 1.123 0 CA-C-N 112.994 -1.912 . . . . 0.0 112.281 179.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.42 ' HB3' ' O ' ' A' ' 16' ' ' PHE . 34.8 tt0 -68.44 -46.98 68.39 Favored 'General case' 0 C--N 1.35 0.607 0 CA-C-N 113.478 -1.361 . . . . 0.0 109.345 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.405 HD11 ' O ' ' A' ' 16' ' ' PHE . 1.7 mp -51.44 -51.85 22.89 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 CA-C-N 112.823 -1.99 . . . . 0.0 109.072 179.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.345 0.382 0 CA-C-N 112.745 -2.025 . . . . 0.0 109.67 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.735 0 CA-C-O 121.949 0.749 . . . . 0.0 112.831 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.1 tt -86.53 -40.68 14.41 Favored 'Isoleucine or valine' 0 C--N 1.347 0.457 0 CA-C-N 112.882 -1.659 . . . . 0.0 109.863 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -53.13 -37.42 54.35 Favored Glycine 0 C--N 1.346 1.133 0 C-N-CA 118.367 -1.873 . . . . 0.0 111.679 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 36.3 tttp -78.35 -42.53 30.22 Favored 'General case' 0 C--N 1.346 0.452 0 CA-C-N 113.074 -1.563 . . . . 0.0 109.857 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -49.88 -51.29 41.58 Favored 'General case' 0 C--N 1.346 0.421 0 CA-C-N 112.941 -1.936 . . . . 0.0 110.169 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.415 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 86.0 mt -55.07 -39.02 68.81 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 112.907 -1.952 . . . . 0.0 110.321 -179.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 16.7 t60 -54.97 -54.76 38.69 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 113.376 -1.738 . . . . 0.0 110.193 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.419 ' O ' ' N ' ' A' ' 11' ' ' LYS . 45.8 t -60.72 -43.07 98.3 Favored 'General case' 0 C--N 1.343 0.321 0 CA-C-N 112.985 -1.916 . . . . 0.0 110.081 -179.477 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.415 ' HB2' ' O ' ' A' ' 6' ' ' LEU . . . -43.83 -38.85 3.5 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 113.112 -1.858 . . . . 0.0 110.194 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.69 -46.52 82.05 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 113.326 -1.761 . . . . 0.0 109.99 -179.526 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 8' ' ' SER . 17.6 mmtp -51.44 -48.37 62.75 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 113.085 -1.87 . . . . 0.0 109.817 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -62.63 -44.38 96.42 Favored 'General case' 0 C--N 1.345 0.381 0 CA-C-N 113.055 -1.884 . . . . 0.0 109.844 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.13 -46.57 15.49 Favored Glycine 0 C--N 1.343 0.954 0 CA-C-N 113.0 -1.909 . . . . 0.0 111.646 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -67.41 -45.43 76.19 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 112.978 -1.611 . . . . 0.0 109.71 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.424 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -47.55 -32.59 5.53 Favored 'General case' 0 CA--C 1.535 0.365 0 CA-C-N 112.934 -1.939 . . . . 0.0 110.524 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -71.07 -48.01 55.06 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-N 113.837 -1.529 . . . . 0.0 110.132 -179.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 64.9 t -57.89 -39.71 72.8 Favored 'Isoleucine or valine' 0 C--N 1.342 0.274 0 CA-C-N 113.088 -1.869 . . . . 0.0 110.426 -179.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.54 -41.58 89.93 Favored Glycine 0 C--N 1.344 1.02 0 CA-C-N 113.171 -1.831 . . . . 0.0 112.136 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 70.6 mt-10 -66.04 -37.78 86.73 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 113.17 -1.515 . . . . 0.0 110.176 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.2 mm -67.62 -48.25 77.19 Favored 'Isoleucine or valine' 0 C--N 1.347 0.487 0 CA-C-N 113.444 -1.707 . . . . 0.0 109.769 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 21.2 mtt . . . . . 0 C--N 1.346 0.418 0 CA-C-N 113.048 -1.887 . . . . 0.0 110.644 -179.697 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.774 0 CA-C-O 121.824 0.68 . . . . 0.0 112.84 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.9 tt -79.19 -43.25 24.03 Favored 'Isoleucine or valine' 0 C--N 1.345 0.379 0 CA-C-N 113.134 -1.533 . . . . 0.0 109.734 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.54 -37.06 91.62 Favored Glycine 0 C--N 1.345 1.04 0 C-N-CA 118.576 -1.773 . . . . 0.0 112.09 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 7' ' ' HIS . 1.5 tmtp? -64.59 -48.12 76.13 Favored 'General case' 0 C--N 1.345 0.398 0 CA-C-N 113.182 -1.509 . . . . 0.0 109.669 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -44.11 -47.81 8.98 Favored 'General case' 0 C--N 1.344 0.329 0 CA-C-N 112.973 -1.921 . . . . 0.0 109.797 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 76.0 mt -62.51 -43.44 98.82 Favored 'General case' 0 C--N 1.343 0.313 0 CA-C-N 112.933 -1.939 . . . . 0.0 109.727 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.409 ' N ' ' O ' ' A' ' 4' ' ' LYS . 1.1 t60 -47.48 -43.65 24.62 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 112.881 -1.963 . . . . 0.0 109.884 -179.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.5 m -73.77 -35.11 64.94 Favored 'General case' 0 C--N 1.345 0.389 0 CA-C-N 113.142 -1.845 . . . . 0.0 110.377 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.85 -54.43 34.53 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 113.446 -1.707 . . . . 0.0 109.751 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.3 ttmt -63.32 -46.45 86.58 Favored 'General case' 0 C--N 1.345 0.382 0 CA-C-N 113.049 -1.887 . . . . 0.0 109.876 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.8 ttmm -44.95 -69.37 0.14 Allowed 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 113.04 -1.891 . . . . 0.0 109.582 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -49.88 -51.18 42.46 Favored 'General case' 0 C--N 1.345 0.384 0 CA-C-N 113.061 -1.882 . . . . 0.0 109.741 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.408 ' O ' HG21 ' A' ' 17' ' ' VAL . . . -44.83 -37.31 5.26 Favored Glycine 0 C--N 1.342 0.889 0 CA-C-N 112.879 -1.964 . . . . 0.0 112.022 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -75.11 -46.1 36.77 Favored 'General case' 0 C--N 1.344 0.364 0 CA-C-N 113.143 -1.528 . . . . 0.0 109.761 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.97 -35.85 11.56 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 112.815 -1.993 . . . . 0.0 110.036 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.426 ' O ' HG12 ' A' ' 20' ' ' ILE . 3.2 m-85 -65.54 -63.73 1.03 Allowed 'General case' 0 C--N 1.347 0.473 0 CA-C-N 113.447 -1.706 . . . . 0.0 109.4 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.408 HG21 ' O ' ' A' ' 13' ' ' GLY . 46.4 t -45.46 -31.91 1.08 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 CA-C-N 112.802 -1.999 . . . . 0.0 110.36 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -66.37 -37.97 93.23 Favored Glycine 0 C--N 1.349 1.255 0 C-N-CA 118.753 -1.689 . . . . 0.0 112.526 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 16' ' ' PHE . 76.0 mm-40 -110.82 23.81 13.72 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 113.467 -1.366 . . . . 0.0 111.266 -179.508 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.426 HG12 ' O ' ' A' ' 16' ' ' PHE . 13.2 mm -113.84 -38.86 2.87 Favored 'Isoleucine or valine' 0 C--N 1.347 0.479 0 CA-C-N 114.051 -1.431 . . . . 0.0 109.415 179.122 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.348 0.52 0 CA-C-N 113.182 -1.826 . . . . 0.0 110.09 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . 0.518 ' C ' ' H ' ' A' ' 3' ' ' GLY . . . . . . . . 0 CA--C 1.526 0.771 0 CA-C-O 121.922 0.735 . . . . 0.0 112.912 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.422 ' O ' HG13 ' A' ' 2' ' ' ILE . 4.4 tp -80.33 28.71 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 CA-C-N 112.938 -1.631 . . . . 0.0 110.387 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.518 ' H ' ' C ' ' A' ' 1' ' ' GLY . . . -145.83 -44.76 0.04 OUTLIER Glycine 0 C--N 1.35 1.326 0 C-N-CA 118.523 -1.799 . . . . 0.0 111.389 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.58 -42.85 67.28 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 112.806 -1.697 . . . . 0.0 109.654 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.463 ' O ' ' OG ' ' A' ' 8' ' ' SER . 14.0 t80 -46.88 -50.1 19.2 Favored 'General case' 0 C--N 1.346 0.432 0 CA-C-N 113.139 -1.846 . . . . 0.0 109.736 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.92 -42.38 94.76 Favored 'General case' 0 C--N 1.343 0.311 0 CA-C-N 112.937 -1.938 . . . . 0.0 109.545 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 22.4 t-80 -46.89 -41.45 15.9 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 113.07 -1.877 . . . . 0.0 109.843 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.463 ' OG ' ' O ' ' A' ' 5' ' ' PHE . 87.2 p -76.58 -46.89 24.34 Favored 'General case' 0 C--N 1.347 0.457 0 CA-C-N 113.136 -1.847 . . . . 0.0 109.791 -179.708 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -43.43 -41.26 4.16 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 112.849 -1.978 . . . . 0.0 110.045 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.23 -50.16 71.33 Favored 'General case' 0 C--N 1.345 0.387 0 CA-C-N 113.176 -1.829 . . . . 0.0 110.033 -179.444 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 14' ' ' LYS . 37.9 tttm -52.12 -58.76 5.61 Favored 'General case' 0 C--N 1.343 0.325 0 CA-C-N 113.189 -1.823 . . . . 0.0 109.656 -179.735 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -43.01 -43.71 4.36 Favored 'General case' 0 C--N 1.346 0.447 0 CA-C-N 113.136 -1.847 . . . . 0.0 109.813 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -55.39 -46.53 79.93 Favored Glycine 0 C--N 1.345 1.048 0 CA-C-N 112.966 -1.925 . . . . 0.0 111.751 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 17' ' ' VAL . 11.5 tmtt? -60.33 -46.23 90.64 Favored 'General case' 0 C--N 1.345 0.392 0 CA-C-N 113.115 -1.543 . . . . 0.0 109.637 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -44.35 -42.61 6.94 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 112.897 -1.956 . . . . 0.0 109.843 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -61.43 -46.57 89.54 Favored 'General case' 0 C--N 1.346 0.447 0 CA-C-N 113.074 -1.876 . . . . 0.0 109.652 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' A' ' 14' ' ' LYS . 73.6 t -49.92 -45.47 22.32 Favored 'Isoleucine or valine' 0 C--N 1.344 0.366 0 CA-C-N 112.999 -1.909 . . . . 0.0 109.77 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -54.42 -44.06 76.87 Favored Glycine 0 C--N 1.343 0.961 0 CA-C-N 112.95 -1.932 . . . . 0.0 111.961 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -62.31 -41.75 98.78 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 113.116 -1.542 . . . . 0.0 109.374 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.42 ' HB ' ' O ' ' A' ' 17' ' ' VAL . 10.6 mm -56.45 -49.6 76.45 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 CA-C-N 113.196 -1.82 . . . . 0.0 108.877 179.569 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 19.1 ttt . . . . . 0 CA--C 1.54 0.591 0 CA-C-N 112.985 -1.916 . . . . 0.0 110.565 179.304 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.583 ' C ' ' H ' ' A' ' 3' ' ' GLY . . . . . . . . 0 CA--C 1.526 0.762 0 CA-C-O 121.833 0.685 . . . . 0.0 112.88 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.7 tt -76.69 26.44 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 CA-C-N 113.084 -1.558 . . . . 0.0 110.561 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.583 ' H ' ' C ' ' A' ' 1' ' ' GLY . . . -123.72 -47.11 0.25 Allowed Glycine 0 C--N 1.35 1.355 0 C-N-CA 118.68 -1.724 . . . . 0.0 111.16 179.537 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.482 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 18.9 pttp -68.48 -43.44 76.92 Favored 'General case' 0 C--N 1.346 0.414 0 CA-C-N 112.853 -1.674 . . . . 0.0 109.648 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.482 ' N ' ' CG ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -52.83 -47.25 67.83 Favored 'General case' 0 C--N 1.348 0.517 0 CA-C-N 113.119 -1.855 . . . . 0.0 109.498 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.516 ' N ' ' CD1' ' A' ' 6' ' ' LEU . 5.9 mp -60.27 -41.07 92.53 Favored 'General case' 0 C--N 1.343 0.313 0 CA-C-N 112.814 -1.994 . . . . 0.0 109.904 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 -56.39 -45.72 80.48 Favored 'General case' 0 C--N 1.346 0.426 0 CA-C-N 113.149 -1.841 . . . . 0.0 109.842 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.2 t -62.64 -46.3 88.88 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 112.985 -1.916 . . . . 0.0 109.785 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -43.86 -43.49 6.35 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 112.943 -1.935 . . . . 0.0 109.801 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 11' ' ' LYS . 34.4 ttmt -63.61 -70.35 0.22 Allowed 'General case' 0 C--N 1.345 0.404 0 CA-C-N 112.971 -1.922 . . . . 0.0 109.704 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 10' ' ' LYS . 9.6 mttp -41.26 -69.54 0.13 Allowed 'General case' 0 C--N 1.343 0.311 0 CA-C-N 113.025 -1.898 . . . . 0.0 109.742 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.409 ' C ' ' O ' ' A' ' 11' ' ' LYS . 0.2 OUTLIER -42.48 -40.55 2.64 Favored 'General case' 0 C--N 1.345 0.38 0 CA-C-N 113.097 -1.865 . . . . 0.0 109.681 179.85 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.419 ' O ' HG22 ' A' ' 17' ' ' VAL . . . -55.69 -51.72 53.14 Favored Glycine 0 C--N 1.346 1.108 0 CA-C-N 113.151 -1.84 . . . . 0.0 111.61 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -53.75 -48.28 69.84 Favored 'General case' 0 C--N 1.346 0.433 0 CA-C-N 112.972 -1.614 . . . . 0.0 109.505 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.36 -36.58 63.99 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 112.811 -1.995 . . . . 0.0 109.955 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -67.38 -45.2 76.94 Favored 'General case' 0 C--N 1.347 0.481 0 CA-C-N 113.35 -1.75 . . . . 0.0 109.714 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.419 HG22 ' O ' ' A' ' 13' ' ' GLY . 86.8 t -55.08 -41.97 62.38 Favored 'Isoleucine or valine' 0 C--N 1.345 0.394 0 CA-C-N 112.952 -1.931 . . . . 0.0 109.798 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.62 -31.51 81.01 Favored Glycine 0 C--N 1.344 1.007 0 CA-C-N 113.142 -1.845 . . . . 0.0 112.311 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -67.72 -43.6 79.64 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-N 113.47 -1.365 . . . . 0.0 109.759 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 33.6 mm -66.35 -46.17 87.65 Favored 'Isoleucine or valine' 0 C--N 1.346 0.441 0 CA-C-N 113.135 -1.848 . . . . 0.0 109.562 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.4 ttt -55.3 -45.18 76.25 Favored 'General case' 0 C--N 1.344 0.337 0 CA-C-N 113.039 -1.892 . . . . 0.0 109.56 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -129.89 101.66 5.96 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 112.929 -1.941 . . . . 0.0 109.426 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 53.7 m -94.71 115.68 27.82 Favored 'General case' 0 C--N 1.345 0.386 0 CA-C-N 112.894 -1.957 . . . . 0.0 109.536 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.402 0 CA-C-N 113.083 -1.872 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.42 ' H3 ' ' HB3' ' A' ' 4' ' ' LYS . . . . . . . . 0 CA--C 1.525 0.686 0 CA-C-O 122.012 0.785 . . . . 0.0 112.968 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.419 ' CG2' ' N ' ' A' ' 3' ' ' GLY . 18.6 tt -71.96 -41.66 68.7 Favored 'Isoleucine or valine' 0 C--N 1.346 0.439 0 CA-C-N 112.864 -1.668 . . . . 0.0 109.716 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.419 ' N ' ' CG2' ' A' ' 2' ' ' ILE . . . -69.48 -41.06 78.27 Favored Glycine 0 C--N 1.346 1.086 0 CA-C-N 113.35 -1.75 . . . . 0.0 111.663 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.42 ' HB3' ' H3 ' ' A' ' 1' ' ' GLY . 13.1 tmtt? -52.41 -42.72 64.31 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 112.988 -1.606 . . . . 0.0 109.772 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.527 ' HA ' ' HG ' ' A' ' 8' ' ' SER . 74.4 t80 -54.92 -34.86 63.57 Favored 'General case' 0 C--N 1.346 0.447 0 CA-C-N 113.001 -1.909 . . . . 0.0 110.458 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.418 ' HB2' ' O ' ' A' ' 3' ' ' GLY . 64.9 mt -59.43 -43.51 93.07 Favored 'General case' 0 C--N 1.347 0.457 0 CA-C-N 113.609 -1.632 . . . . 0.0 110.215 -179.506 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 64.0 t-80 -59.39 -45.3 91.84 Favored 'General case' 0 C--N 1.342 0.265 0 CA-C-N 113.178 -1.828 . . . . 0.0 109.961 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.527 ' HG ' ' HA ' ' A' ' 5' ' ' PHE . 61.0 p -66.21 -33.24 75.32 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 113.086 -1.87 . . . . 0.0 110.66 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.409 ' HB2' ' O ' ' A' ' 6' ' ' LEU . . . -46.19 -41.73 13.1 Favored 'General case' 0 C--N 1.344 0.354 0 CA-C-N 113.658 -1.61 . . . . 0.0 110.12 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.9 mtmt -72.91 -37.49 67.22 Favored 'General case' 0 C--N 1.345 0.388 0 CA-C-N 113.305 -1.77 . . . . 0.0 110.432 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.485 ' HZ2' ' HB2' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -55.69 -57.85 10.28 Favored 'General case' 0 C--N 1.346 0.429 0 CA-C-N 113.61 -1.632 . . . . 0.0 109.727 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -50.6 -54.32 23.65 Favored 'General case' 0 C--N 1.345 0.377 0 CA-C-N 112.848 -1.978 . . . . 0.0 109.925 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.404 ' O ' HG22 ' A' ' 17' ' ' VAL . . . -48.22 -48.36 26.5 Favored Glycine 0 C--N 1.342 0.911 0 CA-C-N 112.775 -2.011 . . . . 0.0 112.173 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.6 tmtm? -48.28 -42.81 31.77 Favored 'General case' 0 C--N 1.344 0.355 0 CA-C-N 113.192 -1.504 . . . . 0.0 109.816 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.79 -38.37 83.27 Favored 'General case' 0 C--N 1.345 0.402 0 CA-C-N 112.953 -1.93 . . . . 0.0 110.234 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -56.04 -42.93 77.31 Favored 'General case' 0 C--N 1.346 0.427 0 CA-C-N 113.363 -1.744 . . . . 0.0 109.625 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.404 HG22 ' O ' ' A' ' 13' ' ' GLY . 46.5 t -63.4 -47.32 92.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 CA-C-N 112.924 -1.944 . . . . 0.0 109.58 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -55.26 -32.02 57.0 Favored Glycine 0 C--N 1.344 0.972 0 CA-C-N 112.656 -2.065 . . . . 0.0 112.506 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -67.47 -40.68 85.34 Favored 'General case' 0 C--N 1.346 0.431 0 CA-C-N 113.506 -1.347 . . . . 0.0 109.868 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 45.0 mm -59.69 -59.07 4.49 Favored 'Isoleucine or valine' 0 C--N 1.345 0.412 0 CA-C-N 113.389 -1.732 . . . . 0.0 109.545 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.472 ' SD ' ' C ' ' A' ' 21' ' ' MET . 0.0 OUTLIER -42.64 -42.08 3.32 Favored 'General case' 0 C--N 1.346 0.455 0 CA-C-N 113.073 -1.876 . . . . 0.0 109.727 179.832 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 26.1 t30 -72.2 -87.53 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 112.959 -1.928 . . . . 0.0 109.447 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.8 m -102.25 165.37 11.17 Favored 'General case' 0 C--N 1.346 0.45 0 CA-C-N 113.182 -1.826 . . . . 0.0 109.382 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.39 0 CA-C-N 112.914 -1.948 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.599 ' C ' ' H ' ' A' ' 3' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.714 0 CA-C-O 121.916 0.731 . . . . 0.0 112.939 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -75.92 27.79 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 CA-C-N 112.934 -1.633 . . . . 0.0 110.431 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.599 ' H ' ' C ' ' A' ' 1' ' ' GLY . . . -137.86 -44.21 0.08 OUTLIER Glycine 0 C--N 1.351 1.368 0 C-N-CA 118.655 -1.736 . . . . 0.0 111.461 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.0 ttmm -66.93 -43.55 82.98 Favored 'General case' 0 C--N 1.345 0.403 0 CA-C-N 112.905 -1.648 . . . . 0.0 109.707 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -44.45 -65.33 0.53 Allowed 'General case' 0 C--N 1.347 0.488 0 CA-C-N 113.09 -1.868 . . . . 0.0 109.556 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.533 ' CD1' ' H ' ' A' ' 6' ' ' LEU . 6.8 mp -49.28 -46.13 45.94 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 112.727 -2.033 . . . . 0.0 109.682 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -48.11 -40.42 23.41 Favored 'General case' 0 C--N 1.343 0.313 0 CA-C-N 112.849 -1.978 . . . . 0.0 110.111 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.3 t -74.12 -31.37 62.73 Favored 'General case' 0 C--N 1.345 0.379 0 CA-C-N 113.119 -1.855 . . . . 0.0 110.751 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.412 ' HB2' ' O ' ' A' ' 6' ' ' LEU . . . -48.95 -47.24 44.04 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 113.726 -1.579 . . . . 0.0 109.946 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -63.19 -57.57 10.08 Favored 'General case' 0 C--N 1.345 0.396 0 CA-C-N 113.194 -1.821 . . . . 0.0 109.896 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -46.25 -33.65 3.86 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 112.833 -1.985 . . . . 0.0 110.489 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -67.61 -47.61 69.2 Favored 'General case' 0 C--N 1.348 0.505 0 CA-C-N 113.736 -1.575 . . . . 0.0 109.625 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.95 -39.17 32.54 Favored Glycine 0 C--N 1.344 0.979 0 CA-C-N 112.827 -1.988 . . . . 0.0 111.639 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -61.84 -46.35 89.86 Favored 'General case' 0 C--N 1.346 0.416 0 CA-C-N 112.978 -1.611 . . . . 0.0 109.637 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.75 -31.39 69.59 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 112.707 -2.042 . . . . 0.0 110.497 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -60.0 -45.36 93.0 Favored 'General case' 0 C--N 1.347 0.464 0 CA-C-N 113.45 -1.704 . . . . 0.0 109.798 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 95.6 t -56.78 -39.99 67.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-N 112.877 -1.965 . . . . 0.0 109.919 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.03 -36.63 92.6 Favored Glycine 0 C--N 1.345 1.06 0 CA-C-N 113.189 -1.823 . . . . 0.0 112.238 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.469 ' O ' ' OG ' ' A' ' 23' ' ' SER . 32.4 mt-10 -66.7 -39.78 88.21 Favored 'General case' 0 C--N 1.346 0.444 0 CA-C-N 113.293 -1.454 . . . . 0.0 110.011 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 13.9 mm -57.28 -46.09 85.09 Favored 'Isoleucine or valine' 0 C--N 1.346 0.456 0 CA-C-N 113.497 -1.683 . . . . 0.0 109.589 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 5.3 ttm -60.44 -49.59 76.96 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 113.119 -1.855 . . . . 0.0 109.518 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -114.19 89.18 3.03 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 112.795 -2.002 . . . . 0.0 109.666 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.469 ' OG ' ' O ' ' A' ' 19' ' ' GLU . 70.8 m -111.14 54.36 0.68 Allowed 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 113.023 -1.899 . . . . 0.0 109.422 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.344 0.342 0 CA-C-N 113.038 -1.892 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.407 ' O ' ' HB2' ' A' ' 5' ' ' PHE . . . . . . . . 0 CA--C 1.525 0.703 0 CA-C-O 121.905 0.725 . . . . 0.0 113.002 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.413 ' O ' ' HG ' ' A' ' 6' ' ' LEU . 5.3 tt -87.35 -47.42 15.85 Favored 'Isoleucine or valine' 0 C--N 1.347 0.461 0 CA-C-N 113.074 -1.563 . . . . 0.0 109.573 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -57.58 -36.94 80.42 Favored Glycine 0 C--N 1.344 0.975 0 CA-C-N 113.043 -1.889 . . . . 0.0 111.987 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 44.3 tttp -72.06 -52.35 17.3 Favored 'General case' 0 C--N 1.347 0.488 0 CA-C-N 113.089 -1.556 . . . . 0.0 109.806 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.407 ' HB2' ' O ' ' A' ' 1' ' ' GLY . 2.4 t80 -45.4 -50.68 12.18 Favored 'General case' 0 C--N 1.346 0.416 0 CA-C-N 113.16 -1.836 . . . . 0.0 110.123 -179.295 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 2' ' ' ILE . 89.0 mt -51.17 -57.98 7.35 Favored 'General case' 0 C--N 1.343 0.304 0 CA-C-N 112.958 -1.928 . . . . 0.0 110.367 -179.562 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 51.4 m170 -45.91 -42.81 13.22 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-N 112.957 -1.928 . . . . 0.0 110.333 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 11' ' ' LYS . 36.5 t -64.66 -40.72 95.92 Favored 'General case' 0 C--N 1.344 0.345 0 CA-C-N 113.193 -1.822 . . . . 0.0 110.342 -179.572 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.411 ' HB2' ' O ' ' A' ' 6' ' ' LEU . . . -46.21 -43.84 15.66 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 113.34 -1.754 . . . . 0.0 109.698 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -47.2 -43.55 21.57 Favored 'General case' 0 C--N 1.345 0.391 0 CA-C-N 113.153 -1.84 . . . . 0.0 109.872 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 8' ' ' SER . 23.3 ttmt -60.5 -48.09 83.3 Favored 'General case' 0 C--N 1.344 0.358 0 CA-C-N 113.161 -1.836 . . . . 0.0 109.581 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -51.71 -42.36 62.17 Favored 'General case' 0 C--N 1.345 0.407 0 CA-C-N 112.916 -1.947 . . . . 0.0 109.921 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.411 ' O ' HG21 ' A' ' 17' ' ' VAL . . . -47.73 -40.57 18.33 Favored Glycine 0 C--N 1.345 1.037 0 CA-C-N 113.113 -1.858 . . . . 0.0 112.055 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -62.41 -60.86 2.95 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 113.119 -1.54 . . . . 0.0 109.843 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.2 -31.54 20.72 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 112.821 -1.99 . . . . 0.0 110.529 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.409 ' O ' HG12 ' A' ' 20' ' ' ILE . 11.8 t80 -57.75 -43.33 85.36 Favored 'General case' 0 C--N 1.349 0.555 0 CA-C-N 113.591 -1.64 . . . . 0.0 109.783 -179.626 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.411 HG21 ' O ' ' A' ' 13' ' ' GLY . 54.0 t -59.73 -45.78 94.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 CA-C-N 113.065 -1.88 . . . . 0.0 109.561 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.59 -32.13 77.24 Favored Glycine 0 C--N 1.345 1.048 0 CA-C-N 112.862 -1.972 . . . . 0.0 112.288 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -67.68 -37.3 82.13 Favored 'General case' 0 C--N 1.345 0.409 0 CA-C-N 113.361 -1.419 . . . . 0.0 110.123 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.409 HG12 ' O ' ' A' ' 16' ' ' PHE . 44.9 mm -68.19 -43.7 84.69 Favored 'Isoleucine or valine' 0 C--N 1.347 0.477 0 CA-C-N 113.588 -1.642 . . . . 0.0 109.679 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.75 -43.25 47.86 Favored 'General case' 0 C--N 1.345 0.408 0 CA-C-N 113.092 -1.867 . . . . 0.0 109.814 179.615 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -118.74 91.74 3.63 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 113.019 -1.9 . . . . 0.0 109.536 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 38.6 m -94.22 -51.01 5.01 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 112.787 -2.006 . . . . 0.0 109.319 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.427 0 CA-C-N 112.989 -1.914 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.65 ' H3 ' ' HE3' ' A' ' 4' ' ' LYS . . . . . . . . 0 CA--C 1.528 0.875 0 CA-C-O 121.861 0.701 . . . . 0.0 113.282 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.429 ' O ' HG13 ' A' ' 2' ' ' ILE . 11.2 tp -82.28 32.35 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 CA-C-N 113.159 -1.52 . . . . 0.0 110.42 -179.679 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.482 ' H ' ' C ' ' A' ' 1' ' ' GLY . . . -126.91 -47.32 0.19 Allowed Glycine 0 C--N 1.351 1.404 0 C-N-CA 118.556 -1.783 . . . . 0.0 111.102 179.189 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.65 ' HE3' ' H3 ' ' A' ' 1' ' ' GLY . 0.0 OUTLIER -76.2 -38.67 56.21 Favored 'General case' 0 C--N 1.343 0.325 0 CA-C-N 112.64 -1.78 . . . . 0.0 109.382 179.226 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -47.38 -70.97 0.08 Allowed 'General case' 0 C--N 1.349 0.567 0 CA-C-N 113.028 -1.896 . . . . 0.0 109.752 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.4 mt -47.65 -47.67 29.18 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 112.766 -2.015 . . . . 0.0 110.028 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.406 ' HB2' ' O ' ' A' ' 3' ' ' GLY . 35.0 t60 -49.87 -40.44 42.64 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 112.76 -2.018 . . . . 0.0 110.373 -179.669 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.1 m -69.88 -57.43 5.07 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 113.077 -1.874 . . . . 0.0 110.135 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -41.58 -35.88 0.82 Allowed 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 112.702 -2.045 . . . . 0.0 110.523 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.585 ' HZ3' ' HB2' ' A' ' 10' ' ' LYS . 2.3 ttmp? -80.88 -48.26 12.62 Favored 'General case' 0 C--N 1.345 0.381 0 CA-C-N 113.28 -1.782 . . . . 0.0 110.311 -179.266 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.8 tttm -56.72 -65.48 0.61 Allowed 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 113.198 -1.819 . . . . 0.0 109.465 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -52.49 -39.11 60.85 Favored 'General case' 0 C--N 1.345 0.379 0 CA-C-N 112.979 -1.919 . . . . 0.0 110.121 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.4 ' O ' HG21 ' A' ' 17' ' ' VAL . . . -63.73 -31.42 80.73 Favored Glycine 0 CA--C 1.531 1.081 0 CA-C-N 113.23 -1.805 . . . . 0.0 112.468 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.2 tptt -66.55 -45.78 78.26 Favored 'General case' 0 C--N 1.346 0.447 0 CA-C-N 113.45 -1.375 . . . . 0.0 109.902 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.47 -32.49 71.45 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 113.066 -1.879 . . . . 0.0 110.315 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -63.93 -59.11 4.92 Favored 'General case' 0 C--N 1.348 0.506 0 CA-C-N 113.597 -1.638 . . . . 0.0 109.275 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.4 HG21 ' O ' ' A' ' 13' ' ' GLY . 59.5 t -51.85 -41.55 30.53 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 CA-C-N 112.554 -2.112 . . . . 0.0 109.829 179.707 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -49.04 -39.07 25.79 Favored Glycine 0 C--N 1.346 1.088 0 CA-C-N 113.051 -1.886 . . . . 0.0 112.004 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -67.74 -38.43 83.5 Favored 'General case' 0 C--N 1.346 0.431 0 CA-C-N 113.219 -1.491 . . . . 0.0 110.16 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' A' ' 21' ' ' MET . 1.6 mp -60.6 -43.7 95.23 Favored 'Isoleucine or valine' 0 C--N 1.346 0.428 0 CA-C-N 113.584 -1.644 . . . . 0.0 109.715 -179.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.569 ' SD ' ' C ' ' A' ' 21' ' ' MET . 0.1 OUTLIER -41.39 -46.07 3.25 Favored 'General case' 0 C--N 1.346 0.434 0 CA-C-N 113.35 -1.75 . . . . 0.0 109.685 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.621 ' C ' HD21 ' A' ' 22' ' ' ASN . 0.2 OUTLIER -50.46 -60.0 3.44 Favored 'General case' 0 C--N 1.343 0.32 0 CA-C-N 112.63 -2.077 . . . . 0.0 109.767 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.0 t -109.7 61.44 0.6 Allowed 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 113.168 -1.833 . . . . 0.0 109.566 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.344 0.331 0 CA-C-N 112.985 -1.916 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.795 0 CA-C-O 121.886 0.714 . . . . 0.0 112.924 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.7 tp -73.55 -42.9 55.77 Favored 'Isoleucine or valine' 0 C--N 1.345 0.404 0 CA-C-N 113.034 -1.583 . . . . 0.0 109.706 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -78.08 -49.05 7.18 Favored Glycine 0 C--N 1.344 1.008 0 CA-C-N 113.268 -1.787 . . . . 0.0 111.817 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.422 ' O ' ' HB3' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -47.75 -40.81 21.63 Favored 'General case' 0 C--N 1.346 0.42 0 CA-C-N 113.046 -1.577 . . . . 0.0 109.966 -179.757 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.405 ' H ' ' HG3' ' A' ' 4' ' ' LYS . 0.3 OUTLIER -45.87 -57.45 4.33 Favored 'General case' 0 C--N 1.347 0.471 0 CA-C-N 113.514 -1.675 . . . . 0.0 109.604 -179.77 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 9' ' ' ALA . 80.4 mt -43.16 -55.61 3.83 Favored 'General case' 0 C--N 1.342 0.251 0 CA-C-N 113.034 -1.894 . . . . 0.0 110.103 -179.615 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.422 ' HB3' ' O ' ' A' ' 4' ' ' LYS . 49.6 t-80 -43.41 -45.92 6.43 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 112.91 -1.95 . . . . 0.0 110.159 -179.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 42.0 m -70.43 -36.92 74.26 Favored 'General case' 0 C--N 1.342 0.269 0 CA-C-N 112.93 -1.941 . . . . 0.0 110.827 -179.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 13' ' ' GLY . . . -52.08 -37.05 52.68 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 113.444 -1.707 . . . . 0.0 110.384 -179.518 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -65.45 -64.38 0.88 Allowed 'General case' 0 C--N 1.346 0.42 0 CA-C-N 113.465 -1.698 . . . . 0.0 109.825 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -45.84 -64.72 0.67 Allowed 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 112.899 -1.955 . . . . 0.0 109.738 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.426 ' O ' ' HB1' ' A' ' 15' ' ' ALA . 0.5 OUTLIER -49.94 -45.29 51.04 Favored 'General case' 0 C--N 1.345 0.391 0 CA-C-N 112.991 -1.913 . . . . 0.0 109.66 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 9' ' ' ALA . . . -43.26 -52.65 5.98 Favored Glycine 0 C--N 1.343 0.942 0 CA-C-N 112.912 -1.949 . . . . 0.0 112.054 -179.646 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.414 ' HD3' ' O ' ' A' ' 14' ' ' LYS . 5.9 tmtt? -53.45 -44.56 68.98 Favored 'General case' 0 C--N 1.344 0.363 0 CA-C-N 113.087 -1.557 . . . . 0.0 109.666 -179.751 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.426 ' HB1' ' O ' ' A' ' 12' ' ' PHE . . . -60.8 -37.17 81.02 Favored 'General case' 0 C--N 1.344 0.335 0 CA-C-N 112.797 -2.002 . . . . 0.0 110.38 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.422 ' O ' HG12 ' A' ' 20' ' ' ILE . 0.3 OUTLIER -54.71 -49.98 69.42 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 113.421 -1.718 . . . . 0.0 109.327 -179.721 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 42.0 t -56.47 -45.41 81.92 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-N 112.602 -2.09 . . . . 0.0 109.868 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.08 -35.56 70.09 Favored Glycine 0 C--N 1.343 0.955 0 CA-C-N 112.974 -1.921 . . . . 0.0 112.279 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.47 ' O ' ' CB ' ' A' ' 22' ' ' ASN . 52.3 mt-10 -74.46 -42.45 59.06 Favored 'General case' 0 C--N 1.345 0.412 0 CA-C-N 113.283 -1.459 . . . . 0.0 110.09 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.422 HG12 ' O ' ' A' ' 16' ' ' PHE . 18.6 mm -48.75 -49.23 14.91 Favored 'Isoleucine or valine' 0 C--N 1.345 0.411 0 CA-C-N 113.487 -1.688 . . . . 0.0 109.605 -179.684 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.432 ' O ' ' C ' ' A' ' 22' ' ' ASN . 0.0 OUTLIER -44.58 -39.8 5.25 Favored 'General case' 0 C--N 1.345 0.387 0 CA-C-N 113.126 -1.852 . . . . 0.0 110.152 -179.717 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.47 ' CB ' ' O ' ' A' ' 19' ' ' GLU . 48.9 t30 -39.69 -86.65 0.0 OUTLIER 'General case' 0 C--N 1.347 0.498 0 CA-C-N 113.411 -1.722 . . . . 0.0 109.845 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.2 m -99.87 116.96 33.14 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 113.078 -1.874 . . . . 0.0 109.36 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.432 0 CA-C-N 113.14 -1.845 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.716 0 CA-C-O 121.959 0.755 . . . . 0.0 112.895 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -79.49 -43.32 23.46 Favored 'Isoleucine or valine' 0 C--N 1.345 0.404 0 CA-C-N 112.891 -1.655 . . . . 0.0 109.724 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -71.7 -35.44 62.3 Favored Glycine 0 C--N 1.345 1.068 0 CA-C-N 113.091 -1.868 . . . . 0.0 111.895 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.414 ' O ' ' HB3' ' A' ' 7' ' ' HIS . 14.7 tttt -59.02 -53.83 54.02 Favored 'General case' 0 C--N 1.348 0.521 0 CA-C-N 113.22 -1.49 . . . . 0.0 109.418 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.549 ' HA ' ' HG ' ' A' ' 8' ' ' SER . 0.7 OUTLIER -51.78 -62.93 1.32 Allowed 'General case' 0 C--N 1.345 0.383 0 CA-C-N 112.971 -1.922 . . . . 0.0 109.689 -179.899 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 80.1 mt -42.56 -38.47 1.98 Allowed 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 112.879 -1.964 . . . . 0.0 110.531 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.414 ' HB3' ' O ' ' A' ' 4' ' ' LYS . 71.9 t60 -66.22 -48.5 70.35 Favored 'General case' 0 C--N 1.345 0.411 0 CA-C-N 113.572 -1.649 . . . . 0.0 110.173 -179.482 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.549 ' HG ' ' HA ' ' A' ' 5' ' ' PHE . 84.5 p -55.43 -50.7 69.11 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 112.942 -1.936 . . . . 0.0 110.063 -179.378 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.9 -41.9 58.9 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 113.055 -1.884 . . . . 0.0 110.379 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.0 mtpt -66.61 -42.56 86.66 Favored 'General case' 0 C--N 1.345 0.379 0 CA-C-N 113.285 -1.78 . . . . 0.0 110.558 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -60.64 -37.46 81.59 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 113.209 -1.814 . . . . 0.0 110.163 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -72.47 -42.61 64.75 Favored 'General case' 0 C--N 1.346 0.425 0 CA-C-N 113.46 -1.7 . . . . 0.0 109.937 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.403 ' O ' ' HB3' ' A' ' 16' ' ' PHE . . . -58.27 -42.22 95.36 Favored Glycine 0 C--N 1.342 0.891 0 C-N-CA 118.445 -1.836 . . . . 0.0 111.319 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.43 -52.62 64.88 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 112.931 -1.634 . . . . 0.0 109.455 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.83 -27.8 68.34 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 112.679 -2.055 . . . . 0.0 110.62 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.42 ' O ' ' HB3' ' A' ' 19' ' ' GLU . 10.7 t80 -61.56 -49.28 77.31 Favored 'General case' 0 C--N 1.347 0.498 0 CA-C-N 113.762 -1.563 . . . . 0.0 109.576 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 69.2 t -59.23 -44.44 92.01 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-N 112.717 -2.038 . . . . 0.0 109.81 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -56.86 -25.81 53.29 Favored Glycine 0 CA--C 1.532 1.123 0 CA-C-N 112.994 -1.912 . . . . 0.0 112.281 179.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.42 ' HB3' ' O ' ' A' ' 16' ' ' PHE . 34.8 tt0 -68.44 -46.98 68.39 Favored 'General case' 0 C--N 1.35 0.607 0 CA-C-N 113.478 -1.361 . . . . 0.0 109.345 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.405 HD11 ' O ' ' A' ' 16' ' ' PHE . 1.7 mp -51.44 -51.85 22.89 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 CA-C-N 112.823 -1.99 . . . . 0.0 109.072 179.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.85 -43.11 8.52 Favored 'General case' 0 C--N 1.345 0.382 0 CA-C-N 112.745 -2.025 . . . . 0.0 109.67 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.41 ' ND2' ' HG ' ' A' ' 23' ' ' SER . 21.2 t30 -69.12 -84.87 0.02 OUTLIER 'General case' 0 C--N 1.345 0.397 0 CA-C-N 113.037 -1.892 . . . . 0.0 109.426 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.41 ' HG ' ' ND2' ' A' ' 22' ' ' ASN . 1.3 p -120.36 177.04 5.18 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 112.96 -1.927 . . . . 0.0 109.483 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.372 0 CA-C-N 112.983 -1.917 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.735 0 CA-C-O 121.949 0.749 . . . . 0.0 112.831 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.1 tt -86.53 -40.68 14.41 Favored 'Isoleucine or valine' 0 C--N 1.347 0.457 0 CA-C-N 112.882 -1.659 . . . . 0.0 109.863 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -53.13 -37.42 54.35 Favored Glycine 0 C--N 1.346 1.133 0 C-N-CA 118.367 -1.873 . . . . 0.0 111.679 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 36.3 tttp -78.35 -42.53 30.22 Favored 'General case' 0 C--N 1.346 0.452 0 CA-C-N 113.074 -1.563 . . . . 0.0 109.857 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -49.88 -51.29 41.58 Favored 'General case' 0 C--N 1.346 0.421 0 CA-C-N 112.941 -1.936 . . . . 0.0 110.169 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.415 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 86.0 mt -55.07 -39.02 68.81 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 112.907 -1.952 . . . . 0.0 110.321 -179.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 16.7 t60 -54.97 -54.76 38.69 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 113.376 -1.738 . . . . 0.0 110.193 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.419 ' O ' ' N ' ' A' ' 11' ' ' LYS . 45.8 t -60.72 -43.07 98.3 Favored 'General case' 0 C--N 1.343 0.321 0 CA-C-N 112.985 -1.916 . . . . 0.0 110.081 -179.477 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.415 ' HB2' ' O ' ' A' ' 6' ' ' LEU . . . -43.83 -38.85 3.5 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 113.112 -1.858 . . . . 0.0 110.194 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.69 -46.52 82.05 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 113.326 -1.761 . . . . 0.0 109.99 -179.526 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 8' ' ' SER . 17.6 mmtp -51.44 -48.37 62.75 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 113.085 -1.87 . . . . 0.0 109.817 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -62.63 -44.38 96.42 Favored 'General case' 0 C--N 1.345 0.381 0 CA-C-N 113.055 -1.884 . . . . 0.0 109.844 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.13 -46.57 15.49 Favored Glycine 0 C--N 1.343 0.954 0 CA-C-N 113.0 -1.909 . . . . 0.0 111.646 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -67.41 -45.43 76.19 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 112.978 -1.611 . . . . 0.0 109.71 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.424 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -47.55 -32.59 5.53 Favored 'General case' 0 CA--C 1.535 0.365 0 CA-C-N 112.934 -1.939 . . . . 0.0 110.524 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -71.07 -48.01 55.06 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-N 113.837 -1.529 . . . . 0.0 110.132 -179.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 64.9 t -57.89 -39.71 72.8 Favored 'Isoleucine or valine' 0 C--N 1.342 0.274 0 CA-C-N 113.088 -1.869 . . . . 0.0 110.426 -179.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.54 -41.58 89.93 Favored Glycine 0 C--N 1.344 1.02 0 CA-C-N 113.171 -1.831 . . . . 0.0 112.136 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 70.6 mt-10 -66.04 -37.78 86.73 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 113.17 -1.515 . . . . 0.0 110.176 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.2 mm -67.62 -48.25 77.19 Favored 'Isoleucine or valine' 0 C--N 1.347 0.487 0 CA-C-N 113.444 -1.707 . . . . 0.0 109.769 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.434 ' O ' ' C ' ' A' ' 22' ' ' ASN . 21.2 mtt -55.03 -32.55 61.94 Favored 'General case' 0 C--N 1.346 0.418 0 CA-C-N 113.048 -1.887 . . . . 0.0 110.644 -179.697 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.434 ' C ' ' O ' ' A' ' 21' ' ' MET . 42.7 t30 -39.32 -48.1 1.82 Allowed 'General case' 0 C--N 1.349 0.571 0 CA-C-N 113.669 -1.605 . . . . 0.0 110.15 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.7 t -130.39 -84.92 0.53 Allowed 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 113.156 -1.838 . . . . 0.0 109.524 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.411 0 CA-C-N 113.098 -1.864 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.774 0 CA-C-O 121.824 0.68 . . . . 0.0 112.84 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.9 tt -79.19 -43.25 24.03 Favored 'Isoleucine or valine' 0 C--N 1.345 0.379 0 CA-C-N 113.134 -1.533 . . . . 0.0 109.734 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.54 -37.06 91.62 Favored Glycine 0 C--N 1.345 1.04 0 C-N-CA 118.576 -1.773 . . . . 0.0 112.09 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 7' ' ' HIS . 1.5 tmtp? -64.59 -48.12 76.13 Favored 'General case' 0 C--N 1.345 0.398 0 CA-C-N 113.182 -1.509 . . . . 0.0 109.669 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -44.11 -47.81 8.98 Favored 'General case' 0 C--N 1.344 0.329 0 CA-C-N 112.973 -1.921 . . . . 0.0 109.797 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 76.0 mt -62.51 -43.44 98.82 Favored 'General case' 0 C--N 1.343 0.313 0 CA-C-N 112.933 -1.939 . . . . 0.0 109.727 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.409 ' N ' ' O ' ' A' ' 4' ' ' LYS . 1.1 t60 -47.48 -43.65 24.62 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 112.881 -1.963 . . . . 0.0 109.884 -179.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.5 m -73.77 -35.11 64.94 Favored 'General case' 0 C--N 1.345 0.389 0 CA-C-N 113.142 -1.845 . . . . 0.0 110.377 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.85 -54.43 34.53 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 113.446 -1.707 . . . . 0.0 109.751 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.3 ttmt -63.32 -46.45 86.58 Favored 'General case' 0 C--N 1.345 0.382 0 CA-C-N 113.049 -1.887 . . . . 0.0 109.876 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.8 ttmm -44.95 -69.37 0.14 Allowed 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 113.04 -1.891 . . . . 0.0 109.582 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -49.88 -51.18 42.46 Favored 'General case' 0 C--N 1.345 0.384 0 CA-C-N 113.061 -1.882 . . . . 0.0 109.741 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.408 ' O ' HG21 ' A' ' 17' ' ' VAL . . . -44.83 -37.31 5.26 Favored Glycine 0 C--N 1.342 0.889 0 CA-C-N 112.879 -1.964 . . . . 0.0 112.022 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -75.11 -46.1 36.77 Favored 'General case' 0 C--N 1.344 0.364 0 CA-C-N 113.143 -1.528 . . . . 0.0 109.761 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.97 -35.85 11.56 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 112.815 -1.993 . . . . 0.0 110.036 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.426 ' O ' HG12 ' A' ' 20' ' ' ILE . 3.2 m-85 -65.54 -63.73 1.03 Allowed 'General case' 0 C--N 1.347 0.473 0 CA-C-N 113.447 -1.706 . . . . 0.0 109.4 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.408 HG21 ' O ' ' A' ' 13' ' ' GLY . 46.4 t -45.46 -31.91 1.08 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 CA-C-N 112.802 -1.999 . . . . 0.0 110.36 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -66.37 -37.97 93.23 Favored Glycine 0 C--N 1.349 1.255 0 C-N-CA 118.753 -1.689 . . . . 0.0 112.526 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 16' ' ' PHE . 76.0 mm-40 -110.82 23.81 13.72 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 113.467 -1.366 . . . . 0.0 111.266 -179.508 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.426 HG12 ' O ' ' A' ' 16' ' ' PHE . 13.2 mm -113.84 -38.86 2.87 Favored 'Isoleucine or valine' 0 C--N 1.347 0.479 0 CA-C-N 114.051 -1.431 . . . . 0.0 109.415 179.122 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.51 -34.9 17.26 Favored 'General case' 0 C--N 1.348 0.52 0 CA-C-N 113.182 -1.826 . . . . 0.0 110.09 179.505 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.498 ' C ' HD21 ' A' ' 22' ' ' ASN . 0.4 OUTLIER -66.52 -43.75 84.38 Favored 'General case' 0 C--N 1.347 0.479 0 CA-C-N 113.45 -1.704 . . . . 0.0 109.851 -179.544 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.7 m -94.82 92.42 6.94 Favored 'General case' 0 C--N 1.345 0.393 0 CA-C-N 113.192 -1.822 . . . . 0.0 109.504 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.37 0 CA-C-N 113.014 -1.903 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.518 ' C ' ' H ' ' A' ' 3' ' ' GLY . . . . . . . . 0 CA--C 1.526 0.771 0 CA-C-O 121.922 0.735 . . . . 0.0 112.912 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.422 ' O ' HG13 ' A' ' 2' ' ' ILE . 4.4 tp -80.33 28.71 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 CA-C-N 112.938 -1.631 . . . . 0.0 110.387 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.518 ' H ' ' C ' ' A' ' 1' ' ' GLY . . . -145.83 -44.76 0.04 OUTLIER Glycine 0 C--N 1.35 1.326 0 C-N-CA 118.523 -1.799 . . . . 0.0 111.389 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.58 -42.85 67.28 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 112.806 -1.697 . . . . 0.0 109.654 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.463 ' O ' ' OG ' ' A' ' 8' ' ' SER . 14.0 t80 -46.88 -50.1 19.2 Favored 'General case' 0 C--N 1.346 0.432 0 CA-C-N 113.139 -1.846 . . . . 0.0 109.736 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.92 -42.38 94.76 Favored 'General case' 0 C--N 1.343 0.311 0 CA-C-N 112.937 -1.938 . . . . 0.0 109.545 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 22.4 t-80 -46.89 -41.45 15.9 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 113.07 -1.877 . . . . 0.0 109.843 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.463 ' OG ' ' O ' ' A' ' 5' ' ' PHE . 87.2 p -76.58 -46.89 24.34 Favored 'General case' 0 C--N 1.347 0.457 0 CA-C-N 113.136 -1.847 . . . . 0.0 109.791 -179.708 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -43.43 -41.26 4.16 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 112.849 -1.978 . . . . 0.0 110.045 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.23 -50.16 71.33 Favored 'General case' 0 C--N 1.345 0.387 0 CA-C-N 113.176 -1.829 . . . . 0.0 110.033 -179.444 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 14' ' ' LYS . 37.9 tttm -52.12 -58.76 5.61 Favored 'General case' 0 C--N 1.343 0.325 0 CA-C-N 113.189 -1.823 . . . . 0.0 109.656 -179.735 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -43.01 -43.71 4.36 Favored 'General case' 0 C--N 1.346 0.447 0 CA-C-N 113.136 -1.847 . . . . 0.0 109.813 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -55.39 -46.53 79.93 Favored Glycine 0 C--N 1.345 1.048 0 CA-C-N 112.966 -1.925 . . . . 0.0 111.751 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 17' ' ' VAL . 11.5 tmtt? -60.33 -46.23 90.64 Favored 'General case' 0 C--N 1.345 0.392 0 CA-C-N 113.115 -1.543 . . . . 0.0 109.637 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -44.35 -42.61 6.94 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 112.897 -1.956 . . . . 0.0 109.843 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -61.43 -46.57 89.54 Favored 'General case' 0 C--N 1.346 0.447 0 CA-C-N 113.074 -1.876 . . . . 0.0 109.652 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' A' ' 14' ' ' LYS . 73.6 t -49.92 -45.47 22.32 Favored 'Isoleucine or valine' 0 C--N 1.344 0.366 0 CA-C-N 112.999 -1.909 . . . . 0.0 109.77 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.48 ' O ' ' OG ' ' A' ' 23' ' ' SER . . . -54.42 -44.06 76.87 Favored Glycine 0 C--N 1.343 0.961 0 CA-C-N 112.95 -1.932 . . . . 0.0 111.961 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.411 ' HA ' ' H ' ' A' ' 23' ' ' SER . 45.5 tt0 -62.31 -41.75 98.78 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 113.116 -1.542 . . . . 0.0 109.374 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.42 ' HB ' ' O ' ' A' ' 17' ' ' VAL . 10.6 mm -56.45 -49.6 76.45 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 CA-C-N 113.196 -1.82 . . . . 0.0 108.877 179.569 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.644 ' O ' ' CB ' ' A' ' 22' ' ' ASN . 19.1 ttt -62.98 -10.72 14.8 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 112.985 -1.916 . . . . 0.0 110.565 179.304 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.644 ' CB ' ' O ' ' A' ' 21' ' ' MET . 10.0 t30 96.24 52.45 0.0 OUTLIER 'General case' 0 C--N 1.357 0.906 0 O-C-N 125.216 1.573 . . . . 0.0 109.746 179.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.48 ' OG ' ' O ' ' A' ' 18' ' ' GLY . 53.3 m -88.51 133.92 34.01 Favored 'General case' 0 C--N 1.346 0.416 0 CA-C-N 112.863 -1.971 . . . . 0.0 109.153 179.449 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.344 0.349 0 CA-C-N 113.003 -1.908 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' GLY . . . . . 0.54 ' C ' ' H ' ' A' ' 3' ' ' GLY . . . . . . . . 0 CA--C 1.526 0.762 0 CA-C-O 121.833 0.685 . . . . 0.0 112.88 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.571 ' C ' HD13 ' A' ' 6' ' ' LEU . 15.7 tt -76.69 26.44 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 CA-C-N 113.084 -1.558 . . . . 0.0 110.561 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.54 ' H ' ' C ' ' A' ' 1' ' ' GLY . . . -123.72 -47.11 0.25 Allowed Glycine 0 C--N 1.35 1.355 0 C-N-CA 118.68 -1.724 . . . . 0.0 111.16 179.537 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.482 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 18.9 pttp -68.48 -43.44 76.92 Favored 'General case' 0 C--N 1.346 0.414 0 CA-C-N 112.853 -1.674 . . . . 0.0 109.648 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.482 ' N ' ' CG ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -52.83 -47.25 67.83 Favored 'General case' 0 C--N 1.348 0.517 0 CA-C-N 113.119 -1.855 . . . . 0.0 109.498 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.67 HD12 ' N ' ' A' ' 6' ' ' LEU . 5.9 mp -60.27 -41.07 92.53 Favored 'General case' 0 C--N 1.343 0.313 0 CA-C-N 112.814 -1.994 . . . . 0.0 109.904 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 -56.39 -45.72 80.48 Favored 'General case' 0 C--N 1.346 0.426 0 CA-C-N 113.149 -1.841 . . . . 0.0 109.842 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.406 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 48.2 t -62.64 -46.3 88.88 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 112.985 -1.916 . . . . 0.0 109.785 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 6' ' ' LEU . . . -43.86 -43.49 6.35 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 112.943 -1.935 . . . . 0.0 109.801 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 11' ' ' LYS . 34.4 ttmt -63.61 -70.35 0.22 Allowed 'General case' 0 C--N 1.345 0.404 0 CA-C-N 112.971 -1.922 . . . . 0.0 109.704 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 10' ' ' LYS . 9.6 mttp -41.26 -69.54 0.13 Allowed 'General case' 0 C--N 1.343 0.311 0 CA-C-N 113.025 -1.898 . . . . 0.0 109.742 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.409 ' C ' ' O ' ' A' ' 11' ' ' LYS . 0.2 OUTLIER -42.48 -40.55 2.64 Favored 'General case' 0 C--N 1.345 0.38 0 CA-C-N 113.097 -1.865 . . . . 0.0 109.681 179.85 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.429 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -55.69 -51.72 53.14 Favored Glycine 0 C--N 1.346 1.108 0 CA-C-N 113.151 -1.84 . . . . 0.0 111.61 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -53.75 -48.28 69.84 Favored 'General case' 0 C--N 1.346 0.433 0 CA-C-N 112.972 -1.614 . . . . 0.0 109.505 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.36 -36.58 63.99 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 112.811 -1.995 . . . . 0.0 109.955 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -67.38 -45.2 76.94 Favored 'General case' 0 C--N 1.347 0.481 0 CA-C-N 113.35 -1.75 . . . . 0.0 109.714 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 13' ' ' GLY . 86.8 t -55.08 -41.97 62.38 Favored 'Isoleucine or valine' 0 C--N 1.345 0.394 0 CA-C-N 112.952 -1.931 . . . . 0.0 109.798 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.62 -31.51 81.01 Favored Glycine 0 C--N 1.344 1.007 0 CA-C-N 113.142 -1.845 . . . . 0.0 112.311 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -67.72 -43.6 79.64 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-N 113.47 -1.365 . . . . 0.0 109.759 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 33.6 mm -66.35 -46.17 87.65 Favored 'Isoleucine or valine' 0 C--N 1.346 0.441 0 CA-C-N 113.135 -1.848 . . . . 0.0 109.562 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.4 ttt . . . . . 0 C--N 1.344 0.337 0 CA-C-N 113.039 -1.892 . . . . 0.0 109.56 179.881 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.686 0 CA-C-O 122.012 0.785 . . . . 0.0 112.968 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.476 HG23 ' N ' ' A' ' 3' ' ' GLY . 18.6 tt -71.96 -41.66 68.7 Favored 'Isoleucine or valine' 0 C--N 1.346 0.439 0 CA-C-N 112.864 -1.668 . . . . 0.0 109.716 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.476 ' N ' HG23 ' A' ' 2' ' ' ILE . . . -69.48 -41.06 78.27 Favored Glycine 0 C--N 1.346 1.086 0 CA-C-N 113.35 -1.75 . . . . 0.0 111.663 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -52.41 -42.72 64.31 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 112.988 -1.606 . . . . 0.0 109.772 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -54.92 -34.86 63.57 Favored 'General case' 0 C--N 1.346 0.447 0 CA-C-N 113.001 -1.909 . . . . 0.0 110.458 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.516 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 64.9 mt -59.43 -43.51 93.07 Favored 'General case' 0 C--N 1.347 0.457 0 CA-C-N 113.609 -1.632 . . . . 0.0 110.215 -179.506 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 64.0 t-80 -59.39 -45.3 91.84 Favored 'General case' 0 C--N 1.342 0.265 0 CA-C-N 113.178 -1.828 . . . . 0.0 109.961 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 61.0 p -66.21 -33.24 75.32 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 113.086 -1.87 . . . . 0.0 110.66 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 6' ' ' LEU . . . -46.19 -41.73 13.1 Favored 'General case' 0 C--N 1.344 0.354 0 CA-C-N 113.658 -1.61 . . . . 0.0 110.12 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.9 mtmt -72.91 -37.49 67.22 Favored 'General case' 0 C--N 1.345 0.388 0 CA-C-N 113.305 -1.77 . . . . 0.0 110.432 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.69 -57.85 10.28 Favored 'General case' 0 C--N 1.346 0.429 0 CA-C-N 113.61 -1.632 . . . . 0.0 109.727 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -50.6 -54.32 23.65 Favored 'General case' 0 C--N 1.345 0.377 0 CA-C-N 112.848 -1.978 . . . . 0.0 109.925 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.409 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -48.22 -48.36 26.5 Favored Glycine 0 C--N 1.342 0.911 0 CA-C-N 112.775 -2.011 . . . . 0.0 112.173 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.6 tmtm? -48.28 -42.81 31.77 Favored 'General case' 0 C--N 1.344 0.355 0 CA-C-N 113.192 -1.504 . . . . 0.0 109.816 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.79 -38.37 83.27 Favored 'General case' 0 C--N 1.345 0.402 0 CA-C-N 112.953 -1.93 . . . . 0.0 110.234 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -56.04 -42.93 77.31 Favored 'General case' 0 C--N 1.346 0.427 0 CA-C-N 113.363 -1.744 . . . . 0.0 109.625 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 13' ' ' GLY . 46.5 t -63.4 -47.32 92.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 CA-C-N 112.924 -1.944 . . . . 0.0 109.58 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -55.26 -32.02 57.0 Favored Glycine 0 C--N 1.344 0.972 0 CA-C-N 112.656 -2.065 . . . . 0.0 112.506 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -67.47 -40.68 85.34 Favored 'General case' 0 C--N 1.346 0.431 0 CA-C-N 113.506 -1.347 . . . . 0.0 109.868 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 45.0 mm -59.69 -59.07 4.49 Favored 'Isoleucine or valine' 0 C--N 1.345 0.412 0 CA-C-N 113.389 -1.732 . . . . 0.0 109.545 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.472 ' C ' ' SD ' ' A' ' 21' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.346 0.455 0 CA-C-N 113.073 -1.876 . . . . 0.0 109.727 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 1' ' ' GLY . . . . . 0.552 ' C ' ' H ' ' A' ' 3' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.714 0 CA-C-O 121.916 0.731 . . . . 0.0 112.939 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -75.92 27.79 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 CA-C-N 112.934 -1.633 . . . . 0.0 110.431 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.552 ' H ' ' C ' ' A' ' 1' ' ' GLY . . . -137.86 -44.21 0.08 OUTLIER Glycine 0 C--N 1.351 1.368 0 C-N-CA 118.655 -1.736 . . . . 0.0 111.461 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.0 ttmm -66.93 -43.55 82.98 Favored 'General case' 0 C--N 1.345 0.403 0 CA-C-N 112.905 -1.648 . . . . 0.0 109.707 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -44.45 -65.33 0.53 Allowed 'General case' 0 C--N 1.347 0.488 0 CA-C-N 113.09 -1.868 . . . . 0.0 109.556 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.63 HD12 ' N ' ' A' ' 6' ' ' LEU . 6.8 mp -49.28 -46.13 45.94 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 112.727 -2.033 . . . . 0.0 109.682 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -48.11 -40.42 23.41 Favored 'General case' 0 C--N 1.343 0.313 0 CA-C-N 112.849 -1.978 . . . . 0.0 110.111 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.3 t -74.12 -31.37 62.73 Favored 'General case' 0 C--N 1.345 0.379 0 CA-C-N 113.119 -1.855 . . . . 0.0 110.751 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 6' ' ' LEU . . . -48.95 -47.24 44.04 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 113.726 -1.579 . . . . 0.0 109.946 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -63.19 -57.57 10.08 Favored 'General case' 0 C--N 1.345 0.396 0 CA-C-N 113.194 -1.821 . . . . 0.0 109.896 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -46.25 -33.65 3.86 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 112.833 -1.985 . . . . 0.0 110.489 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -67.61 -47.61 69.2 Favored 'General case' 0 C--N 1.348 0.505 0 CA-C-N 113.736 -1.575 . . . . 0.0 109.625 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.95 -39.17 32.54 Favored Glycine 0 C--N 1.344 0.979 0 CA-C-N 112.827 -1.988 . . . . 0.0 111.639 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -61.84 -46.35 89.86 Favored 'General case' 0 C--N 1.346 0.416 0 CA-C-N 112.978 -1.611 . . . . 0.0 109.637 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.75 -31.39 69.59 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 112.707 -2.042 . . . . 0.0 110.497 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -60.0 -45.36 93.0 Favored 'General case' 0 C--N 1.347 0.464 0 CA-C-N 113.45 -1.704 . . . . 0.0 109.798 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 95.6 t -56.78 -39.99 67.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-N 112.877 -1.965 . . . . 0.0 109.919 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.03 -36.63 92.6 Favored Glycine 0 C--N 1.345 1.06 0 CA-C-N 113.189 -1.823 . . . . 0.0 112.238 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -66.7 -39.78 88.21 Favored 'General case' 0 C--N 1.346 0.444 0 CA-C-N 113.293 -1.454 . . . . 0.0 110.011 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 13.9 mm -57.28 -46.09 85.09 Favored 'Isoleucine or valine' 0 C--N 1.346 0.456 0 CA-C-N 113.497 -1.683 . . . . 0.0 109.589 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 5.3 ttm . . . . . 0 N--CA 1.451 -0.403 0 CA-C-N 113.119 -1.855 . . . . 0.0 109.518 179.96 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' GLY . . . . . 0.416 ' O ' ' HB2' ' A' ' 5' ' ' PHE . . . . . . . . 0 CA--C 1.525 0.703 0 CA-C-O 121.905 0.725 . . . . 0.0 113.002 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.442 HG23 ' N ' ' A' ' 3' ' ' GLY . 5.3 tt -87.35 -47.42 15.85 Favored 'Isoleucine or valine' 0 C--N 1.347 0.461 0 CA-C-N 113.074 -1.563 . . . . 0.0 109.573 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.442 ' N ' HG23 ' A' ' 2' ' ' ILE . . . -57.58 -36.94 80.42 Favored Glycine 0 C--N 1.344 0.975 0 CA-C-N 113.043 -1.889 . . . . 0.0 111.987 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 44.3 tttp -72.06 -52.35 17.3 Favored 'General case' 0 C--N 1.347 0.488 0 CA-C-N 113.089 -1.556 . . . . 0.0 109.806 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.416 ' HB2' ' O ' ' A' ' 1' ' ' GLY . 2.4 t80 -45.4 -50.68 12.18 Favored 'General case' 0 C--N 1.346 0.416 0 CA-C-N 113.16 -1.836 . . . . 0.0 110.123 -179.295 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.507 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 89.0 mt -51.17 -57.98 7.35 Favored 'General case' 0 C--N 1.343 0.304 0 CA-C-N 112.958 -1.928 . . . . 0.0 110.367 -179.562 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 51.4 m170 -45.91 -42.81 13.22 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-N 112.957 -1.928 . . . . 0.0 110.333 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 11' ' ' LYS . 36.5 t -64.66 -40.72 95.92 Favored 'General case' 0 C--N 1.344 0.345 0 CA-C-N 113.193 -1.822 . . . . 0.0 110.342 -179.572 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.507 ' HB3' ' O ' ' A' ' 6' ' ' LEU . . . -46.21 -43.84 15.66 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 113.34 -1.754 . . . . 0.0 109.698 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -47.2 -43.55 21.57 Favored 'General case' 0 C--N 1.345 0.391 0 CA-C-N 113.153 -1.84 . . . . 0.0 109.872 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 8' ' ' SER . 23.3 ttmt -60.5 -48.09 83.3 Favored 'General case' 0 C--N 1.344 0.358 0 CA-C-N 113.161 -1.836 . . . . 0.0 109.581 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -51.71 -42.36 62.17 Favored 'General case' 0 C--N 1.345 0.407 0 CA-C-N 112.916 -1.947 . . . . 0.0 109.921 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.416 ' O ' ' HB3' ' A' ' 16' ' ' PHE . . . -47.73 -40.57 18.33 Favored Glycine 0 C--N 1.345 1.037 0 CA-C-N 113.113 -1.858 . . . . 0.0 112.055 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -62.41 -60.86 2.95 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 113.119 -1.54 . . . . 0.0 109.843 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.2 -31.54 20.72 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 112.821 -1.99 . . . . 0.0 110.529 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.416 ' HB3' ' O ' ' A' ' 13' ' ' GLY . 11.8 t80 -57.75 -43.33 85.36 Favored 'General case' 0 C--N 1.349 0.555 0 CA-C-N 113.591 -1.64 . . . . 0.0 109.783 -179.626 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 13' ' ' GLY . 54.0 t -59.73 -45.78 94.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 CA-C-N 113.065 -1.88 . . . . 0.0 109.561 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.59 -32.13 77.24 Favored Glycine 0 C--N 1.345 1.048 0 CA-C-N 112.862 -1.972 . . . . 0.0 112.288 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -67.68 -37.3 82.13 Favored 'General case' 0 C--N 1.345 0.409 0 CA-C-N 113.361 -1.419 . . . . 0.0 110.123 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.413 HG12 ' O ' ' A' ' 16' ' ' PHE . 44.9 mm -68.19 -43.7 84.69 Favored 'Isoleucine or valine' 0 C--N 1.347 0.477 0 CA-C-N 113.588 -1.642 . . . . 0.0 109.679 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.345 0.408 0 CA-C-N 113.092 -1.867 . . . . 0.0 109.814 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' GLY . . . . . 0.427 ' C ' ' H ' ' A' ' 3' ' ' GLY . . . . . . . . 0 CA--C 1.528 0.875 0 CA-C-O 121.861 0.701 . . . . 0.0 113.282 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.432 ' O ' HG13 ' A' ' 2' ' ' ILE . 11.2 tp -82.28 32.35 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 CA-C-N 113.159 -1.52 . . . . 0.0 110.42 -179.679 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.427 ' H ' ' C ' ' A' ' 1' ' ' GLY . . . -126.91 -47.32 0.19 Allowed Glycine 0 C--N 1.351 1.404 0 C-N-CA 118.556 -1.783 . . . . 0.0 111.102 179.189 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.68 ' H ' ' CD ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -76.2 -38.67 56.21 Favored 'General case' 0 C--N 1.343 0.325 0 CA-C-N 112.64 -1.78 . . . . 0.0 109.382 179.226 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -47.38 -70.97 0.08 Allowed 'General case' 0 C--N 1.349 0.567 0 CA-C-N 113.028 -1.896 . . . . 0.0 109.752 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.4 mt -47.65 -47.67 29.18 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 112.766 -2.015 . . . . 0.0 110.028 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.414 ' HB2' ' O ' ' A' ' 3' ' ' GLY . 35.0 t60 -49.87 -40.44 42.64 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 112.76 -2.018 . . . . 0.0 110.373 -179.669 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.1 m -69.88 -57.43 5.07 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 113.077 -1.874 . . . . 0.0 110.135 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -41.58 -35.88 0.82 Allowed 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 112.702 -2.045 . . . . 0.0 110.523 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.536 ' NZ ' ' CB ' ' A' ' 10' ' ' LYS . 2.3 ttmp? -80.88 -48.26 12.62 Favored 'General case' 0 C--N 1.345 0.381 0 CA-C-N 113.28 -1.782 . . . . 0.0 110.311 -179.266 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.8 tttm -56.72 -65.48 0.61 Allowed 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 113.198 -1.819 . . . . 0.0 109.465 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -52.49 -39.11 60.85 Favored 'General case' 0 C--N 1.345 0.379 0 CA-C-N 112.979 -1.919 . . . . 0.0 110.121 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.5 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -63.73 -31.42 80.73 Favored Glycine 0 CA--C 1.531 1.081 0 CA-C-N 113.23 -1.805 . . . . 0.0 112.468 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.2 tptt -66.55 -45.78 78.26 Favored 'General case' 0 C--N 1.346 0.447 0 CA-C-N 113.45 -1.375 . . . . 0.0 109.902 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.47 -32.49 71.45 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 113.066 -1.879 . . . . 0.0 110.315 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -63.93 -59.11 4.92 Favored 'General case' 0 C--N 1.348 0.506 0 CA-C-N 113.597 -1.638 . . . . 0.0 109.275 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 13' ' ' GLY . 59.5 t -51.85 -41.55 30.53 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 CA-C-N 112.554 -2.112 . . . . 0.0 109.829 179.707 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -49.04 -39.07 25.79 Favored Glycine 0 C--N 1.346 1.088 0 CA-C-N 113.051 -1.886 . . . . 0.0 112.004 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -67.74 -38.43 83.5 Favored 'General case' 0 C--N 1.346 0.431 0 CA-C-N 113.219 -1.491 . . . . 0.0 110.16 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' A' ' 21' ' ' MET . 1.6 mp -60.6 -43.7 95.23 Favored 'Isoleucine or valine' 0 C--N 1.346 0.428 0 CA-C-N 113.584 -1.644 . . . . 0.0 109.715 -179.625 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.569 ' C ' ' SD ' ' A' ' 21' ' ' MET . 0.1 OUTLIER . . . . . 0 C--N 1.346 0.434 0 CA-C-N 113.35 -1.75 . . . . 0.0 109.685 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.795 0 CA-C-O 121.886 0.714 . . . . 0.0 112.924 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.477 HG23 ' N ' ' A' ' 3' ' ' GLY . 6.7 tp -73.55 -42.9 55.77 Favored 'Isoleucine or valine' 0 C--N 1.345 0.404 0 CA-C-N 113.034 -1.583 . . . . 0.0 109.706 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.477 ' N ' HG23 ' A' ' 2' ' ' ILE . . . -78.08 -49.05 7.18 Favored Glycine 0 C--N 1.344 1.008 0 CA-C-N 113.268 -1.787 . . . . 0.0 111.817 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.436 ' O ' ' HB3' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -47.75 -40.81 21.63 Favored 'General case' 0 C--N 1.346 0.42 0 CA-C-N 113.046 -1.577 . . . . 0.0 109.966 -179.757 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -45.87 -57.45 4.33 Favored 'General case' 0 C--N 1.347 0.471 0 CA-C-N 113.514 -1.675 . . . . 0.0 109.604 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.423 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 80.4 mt -43.16 -55.61 3.83 Favored 'General case' 0 C--N 1.342 0.251 0 CA-C-N 113.034 -1.894 . . . . 0.0 110.103 -179.615 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.436 ' HB3' ' O ' ' A' ' 4' ' ' LYS . 49.6 t-80 -43.41 -45.92 6.43 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 112.91 -1.95 . . . . 0.0 110.159 -179.574 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 42.0 m -70.43 -36.92 74.26 Favored 'General case' 0 C--N 1.342 0.269 0 CA-C-N 112.93 -1.941 . . . . 0.0 110.827 -179.443 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 6' ' ' LEU . . . -52.08 -37.05 52.68 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 113.444 -1.707 . . . . 0.0 110.384 -179.518 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -65.45 -64.38 0.88 Allowed 'General case' 0 C--N 1.346 0.42 0 CA-C-N 113.465 -1.698 . . . . 0.0 109.825 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -45.84 -64.72 0.67 Allowed 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 112.899 -1.955 . . . . 0.0 109.738 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.414 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 0.5 OUTLIER -49.94 -45.29 51.04 Favored 'General case' 0 C--N 1.345 0.391 0 CA-C-N 112.991 -1.913 . . . . 0.0 109.66 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.415 ' O ' ' HB2' ' A' ' 16' ' ' PHE . . . -43.26 -52.65 5.98 Favored Glycine 0 C--N 1.343 0.942 0 CA-C-N 112.912 -1.949 . . . . 0.0 112.054 -179.646 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.415 ' O ' ' HD3' ' A' ' 14' ' ' LYS . 5.9 tmtt? -53.45 -44.56 68.98 Favored 'General case' 0 C--N 1.344 0.363 0 CA-C-N 113.087 -1.557 . . . . 0.0 109.666 -179.751 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -60.8 -37.17 81.02 Favored 'General case' 0 C--N 1.344 0.335 0 CA-C-N 112.797 -2.002 . . . . 0.0 110.38 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.427 ' O ' HG12 ' A' ' 20' ' ' ILE . 0.3 OUTLIER -54.71 -49.98 69.42 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 113.421 -1.718 . . . . 0.0 109.327 -179.721 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 42.0 t -56.47 -45.41 81.92 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-N 112.602 -2.09 . . . . 0.0 109.868 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.08 -35.56 70.09 Favored Glycine 0 C--N 1.343 0.955 0 CA-C-N 112.974 -1.921 . . . . 0.0 112.279 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -74.46 -42.45 59.06 Favored 'General case' 0 C--N 1.345 0.412 0 CA-C-N 113.283 -1.459 . . . . 0.0 110.09 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.427 HG12 ' O ' ' A' ' 16' ' ' PHE . 18.6 mm -48.75 -49.23 14.91 Favored 'Isoleucine or valine' 0 C--N 1.345 0.411 0 CA-C-N 113.487 -1.688 . . . . 0.0 109.605 -179.684 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.345 0.387 0 CA-C-N 113.126 -1.852 . . . . 0.0 110.152 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.716 0 CA-C-O 121.959 0.755 . . . . 0.0 112.895 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.498 HG23 ' N ' ' A' ' 3' ' ' GLY . 0.9 OUTLIER -79.49 -43.32 23.46 Favored 'Isoleucine or valine' 0 C--N 1.345 0.404 0 CA-C-N 112.891 -1.655 . . . . 0.0 109.724 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.498 ' N ' HG23 ' A' ' 2' ' ' ILE . . . -71.7 -35.44 62.3 Favored Glycine 0 C--N 1.345 1.068 0 CA-C-N 113.091 -1.868 . . . . 0.0 111.895 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.426 ' O ' ' HB3' ' A' ' 7' ' ' HIS . 14.7 tttt -59.02 -53.83 54.02 Favored 'General case' 0 C--N 1.348 0.521 0 CA-C-N 113.22 -1.49 . . . . 0.0 109.418 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.406 ' O ' ' N ' ' A' ' 8' ' ' SER . 0.7 OUTLIER -51.78 -62.93 1.32 Allowed 'General case' 0 C--N 1.345 0.383 0 CA-C-N 112.971 -1.922 . . . . 0.0 109.689 -179.899 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 80.1 mt -42.56 -38.47 1.98 Allowed 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 112.879 -1.964 . . . . 0.0 110.531 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.426 ' HB3' ' O ' ' A' ' 4' ' ' LYS . 71.9 t60 -66.22 -48.5 70.35 Favored 'General case' 0 C--N 1.345 0.411 0 CA-C-N 113.572 -1.649 . . . . 0.0 110.173 -179.482 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 5' ' ' PHE . 84.5 p -55.43 -50.7 69.11 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 112.942 -1.936 . . . . 0.0 110.063 -179.378 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.9 -41.9 58.9 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 113.055 -1.884 . . . . 0.0 110.379 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.0 mtpt -66.61 -42.56 86.66 Favored 'General case' 0 C--N 1.345 0.379 0 CA-C-N 113.285 -1.78 . . . . 0.0 110.558 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -60.64 -37.46 81.59 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 113.209 -1.814 . . . . 0.0 110.163 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -72.47 -42.61 64.75 Favored 'General case' 0 C--N 1.346 0.425 0 CA-C-N 113.46 -1.7 . . . . 0.0 109.937 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.414 ' O ' ' HB3' ' A' ' 16' ' ' PHE . . . -58.27 -42.22 95.36 Favored Glycine 0 C--N 1.342 0.891 0 C-N-CA 118.445 -1.836 . . . . 0.0 111.319 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.415 ' HA ' ' HD3' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -58.43 -52.62 64.88 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 112.931 -1.634 . . . . 0.0 109.455 179.909 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.83 -27.8 68.34 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 112.679 -2.055 . . . . 0.0 110.62 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.423 ' O ' ' HB3' ' A' ' 19' ' ' GLU . 10.7 t80 -61.56 -49.28 77.31 Favored 'General case' 0 C--N 1.347 0.498 0 CA-C-N 113.762 -1.563 . . . . 0.0 109.576 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 69.2 t -59.23 -44.44 92.01 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-N 112.717 -2.038 . . . . 0.0 109.81 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -56.86 -25.81 53.29 Favored Glycine 0 CA--C 1.532 1.123 0 CA-C-N 112.994 -1.912 . . . . 0.0 112.281 179.714 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.423 ' HB3' ' O ' ' A' ' 16' ' ' PHE . 34.8 tt0 -68.44 -46.98 68.39 Favored 'General case' 0 C--N 1.35 0.607 0 CA-C-N 113.478 -1.361 . . . . 0.0 109.345 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.7 mp -51.44 -51.85 22.89 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 CA-C-N 112.823 -1.99 . . . . 0.0 109.072 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.345 0.382 0 CA-C-N 112.745 -2.025 . . . . 0.0 109.67 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.735 0 CA-C-O 121.949 0.749 . . . . 0.0 112.831 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.439 HG23 ' N ' ' A' ' 3' ' ' GLY . 16.1 tt -86.53 -40.68 14.41 Favored 'Isoleucine or valine' 0 C--N 1.347 0.457 0 CA-C-N 112.882 -1.659 . . . . 0.0 109.863 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.439 ' N ' HG23 ' A' ' 2' ' ' ILE . . . -53.13 -37.42 54.35 Favored Glycine 0 C--N 1.346 1.133 0 C-N-CA 118.367 -1.873 . . . . 0.0 111.679 179.663 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 36.3 tttp -78.35 -42.53 30.22 Favored 'General case' 0 C--N 1.346 0.452 0 CA-C-N 113.074 -1.563 . . . . 0.0 109.857 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -49.88 -51.29 41.58 Favored 'General case' 0 C--N 1.346 0.421 0 CA-C-N 112.941 -1.936 . . . . 0.0 110.169 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.46 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 86.0 mt -55.07 -39.02 68.81 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 112.907 -1.952 . . . . 0.0 110.321 -179.704 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 16.7 t60 -54.97 -54.76 38.69 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 113.376 -1.738 . . . . 0.0 110.193 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.419 ' O ' ' N ' ' A' ' 11' ' ' LYS . 45.8 t -60.72 -43.07 98.3 Favored 'General case' 0 C--N 1.343 0.321 0 CA-C-N 112.985 -1.916 . . . . 0.0 110.081 -179.477 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.46 ' HB3' ' O ' ' A' ' 6' ' ' LEU . . . -43.83 -38.85 3.5 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 113.112 -1.858 . . . . 0.0 110.194 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.69 -46.52 82.05 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 113.326 -1.761 . . . . 0.0 109.99 -179.526 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 8' ' ' SER . 17.6 mmtp -51.44 -48.37 62.75 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 113.085 -1.87 . . . . 0.0 109.817 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -62.63 -44.38 96.42 Favored 'General case' 0 C--N 1.345 0.381 0 CA-C-N 113.055 -1.884 . . . . 0.0 109.844 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.13 -46.57 15.49 Favored Glycine 0 C--N 1.343 0.954 0 CA-C-N 113.0 -1.909 . . . . 0.0 111.646 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -67.41 -45.43 76.19 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 112.978 -1.611 . . . . 0.0 109.71 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.42 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -47.55 -32.59 5.53 Favored 'General case' 0 CA--C 1.535 0.365 0 CA-C-N 112.934 -1.939 . . . . 0.0 110.524 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -71.07 -48.01 55.06 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-N 113.837 -1.529 . . . . 0.0 110.132 -179.333 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 64.9 t -57.89 -39.71 72.8 Favored 'Isoleucine or valine' 0 C--N 1.342 0.274 0 CA-C-N 113.088 -1.869 . . . . 0.0 110.426 -179.56 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.54 -41.58 89.93 Favored Glycine 0 C--N 1.344 1.02 0 CA-C-N 113.171 -1.831 . . . . 0.0 112.136 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 70.6 mt-10 -66.04 -37.78 86.73 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 113.17 -1.515 . . . . 0.0 110.176 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.2 mm -67.62 -48.25 77.19 Favored 'Isoleucine or valine' 0 C--N 1.347 0.487 0 CA-C-N 113.444 -1.707 . . . . 0.0 109.769 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 21.2 mtt . . . . . 0 C--N 1.346 0.418 0 CA-C-N 113.048 -1.887 . . . . 0.0 110.644 -179.697 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.774 0 CA-C-O 121.824 0.68 . . . . 0.0 112.84 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.46 HG23 ' N ' ' A' ' 3' ' ' GLY . 13.9 tt -79.19 -43.25 24.03 Favored 'Isoleucine or valine' 0 C--N 1.345 0.379 0 CA-C-N 113.134 -1.533 . . . . 0.0 109.734 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.46 ' N ' HG23 ' A' ' 2' ' ' ILE . . . -59.54 -37.06 91.62 Favored Glycine 0 C--N 1.345 1.04 0 C-N-CA 118.576 -1.773 . . . . 0.0 112.09 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 7' ' ' HIS . 1.5 tmtp? -64.59 -48.12 76.13 Favored 'General case' 0 C--N 1.345 0.398 0 CA-C-N 113.182 -1.509 . . . . 0.0 109.669 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -44.11 -47.81 8.98 Favored 'General case' 0 C--N 1.344 0.329 0 CA-C-N 112.973 -1.921 . . . . 0.0 109.797 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.405 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 76.0 mt -62.51 -43.44 98.82 Favored 'General case' 0 C--N 1.343 0.313 0 CA-C-N 112.933 -1.939 . . . . 0.0 109.727 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.409 ' N ' ' O ' ' A' ' 4' ' ' LYS . 1.1 t60 -47.48 -43.65 24.62 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 112.881 -1.963 . . . . 0.0 109.884 -179.688 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.5 m -73.77 -35.11 64.94 Favored 'General case' 0 C--N 1.345 0.389 0 CA-C-N 113.142 -1.845 . . . . 0.0 110.377 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 6' ' ' LEU . . . -52.85 -54.43 34.53 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 113.446 -1.707 . . . . 0.0 109.751 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.3 ttmt -63.32 -46.45 86.58 Favored 'General case' 0 C--N 1.345 0.382 0 CA-C-N 113.049 -1.887 . . . . 0.0 109.876 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.8 ttmm -44.95 -69.37 0.14 Allowed 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 113.04 -1.891 . . . . 0.0 109.582 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -49.88 -51.18 42.46 Favored 'General case' 0 C--N 1.345 0.384 0 CA-C-N 113.061 -1.882 . . . . 0.0 109.741 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.418 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -44.83 -37.31 5.26 Favored Glycine 0 C--N 1.342 0.889 0 CA-C-N 112.879 -1.964 . . . . 0.0 112.022 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -75.11 -46.1 36.77 Favored 'General case' 0 C--N 1.344 0.364 0 CA-C-N 113.143 -1.528 . . . . 0.0 109.761 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.97 -35.85 11.56 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 112.815 -1.993 . . . . 0.0 110.036 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.432 ' O ' HG12 ' A' ' 20' ' ' ILE . 3.2 m-85 -65.54 -63.73 1.03 Allowed 'General case' 0 C--N 1.347 0.473 0 CA-C-N 113.447 -1.706 . . . . 0.0 109.4 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 13' ' ' GLY . 46.4 t -45.46 -31.91 1.08 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 CA-C-N 112.802 -1.999 . . . . 0.0 110.36 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -66.37 -37.97 93.23 Favored Glycine 0 C--N 1.349 1.255 0 C-N-CA 118.753 -1.689 . . . . 0.0 112.526 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 16' ' ' PHE . 76.0 mm-40 -110.82 23.81 13.72 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 113.467 -1.366 . . . . 0.0 111.266 -179.508 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.432 HG12 ' O ' ' A' ' 16' ' ' PHE . 13.2 mm -113.84 -38.86 2.87 Favored 'Isoleucine or valine' 0 C--N 1.347 0.479 0 CA-C-N 114.051 -1.431 . . . . 0.0 109.415 179.122 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.348 0.52 0 CA-C-N 113.182 -1.826 . . . . 0.0 110.09 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' GLY . . . . . 0.459 ' C ' ' H ' ' A' ' 3' ' ' GLY . . . . . . . . 0 CA--C 1.526 0.771 0 CA-C-O 121.922 0.735 . . . . 0.0 112.912 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.421 ' O ' HG13 ' A' ' 2' ' ' ILE . 4.4 tp -80.33 28.71 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 CA-C-N 112.938 -1.631 . . . . 0.0 110.387 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.459 ' H ' ' C ' ' A' ' 1' ' ' GLY . . . -145.83 -44.76 0.04 OUTLIER Glycine 0 C--N 1.35 1.326 0 C-N-CA 118.523 -1.799 . . . . 0.0 111.389 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.58 -42.85 67.28 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 112.806 -1.697 . . . . 0.0 109.654 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -46.88 -50.1 19.2 Favored 'General case' 0 C--N 1.346 0.432 0 CA-C-N 113.139 -1.846 . . . . 0.0 109.736 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.92 -42.38 94.76 Favored 'General case' 0 C--N 1.343 0.311 0 CA-C-N 112.937 -1.938 . . . . 0.0 109.545 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 22.4 t-80 -46.89 -41.45 15.9 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 113.07 -1.877 . . . . 0.0 109.843 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 87.2 p -76.58 -46.89 24.34 Favored 'General case' 0 C--N 1.347 0.457 0 CA-C-N 113.136 -1.847 . . . . 0.0 109.791 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -43.43 -41.26 4.16 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 112.849 -1.978 . . . . 0.0 110.045 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.23 -50.16 71.33 Favored 'General case' 0 C--N 1.345 0.387 0 CA-C-N 113.176 -1.829 . . . . 0.0 110.033 -179.444 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 14' ' ' LYS . 37.9 tttm -52.12 -58.76 5.61 Favored 'General case' 0 C--N 1.343 0.325 0 CA-C-N 113.189 -1.823 . . . . 0.0 109.656 -179.735 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.453 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 45.6 t80 -43.01 -43.71 4.36 Favored 'General case' 0 C--N 1.346 0.447 0 CA-C-N 113.136 -1.847 . . . . 0.0 109.813 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -55.39 -46.53 79.93 Favored Glycine 0 C--N 1.345 1.048 0 CA-C-N 112.966 -1.925 . . . . 0.0 111.751 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 17' ' ' VAL . 11.5 tmtt? -60.33 -46.23 90.64 Favored 'General case' 0 C--N 1.345 0.392 0 CA-C-N 113.115 -1.543 . . . . 0.0 109.637 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -44.35 -42.61 6.94 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 112.897 -1.956 . . . . 0.0 109.843 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -61.43 -46.57 89.54 Favored 'General case' 0 C--N 1.346 0.447 0 CA-C-N 113.074 -1.876 . . . . 0.0 109.652 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' A' ' 14' ' ' LYS . 73.6 t -49.92 -45.47 22.32 Favored 'Isoleucine or valine' 0 C--N 1.344 0.366 0 CA-C-N 112.999 -1.909 . . . . 0.0 109.77 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -54.42 -44.06 76.87 Favored Glycine 0 C--N 1.343 0.961 0 CA-C-N 112.95 -1.932 . . . . 0.0 111.961 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -62.31 -41.75 98.78 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 113.116 -1.542 . . . . 0.0 109.374 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.42 ' HB ' ' O ' ' A' ' 17' ' ' VAL . 10.6 mm -56.45 -49.6 76.45 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 CA-C-N 113.196 -1.82 . . . . 0.0 108.877 179.569 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 19.1 ttt . . . . . 0 CA--C 1.54 0.591 0 CA-C-N 112.985 -1.916 . . . . 0.0 110.565 179.304 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.54 ' C ' ' H ' ' A' ' 3' ' ' GLY . . . . . . . . 0 CA--C 1.526 0.762 0 CA-C-O 121.833 0.685 . . . . 0.0 112.88 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.571 ' C ' HD13 ' A' ' 6' ' ' LEU . 15.7 tt -76.69 26.44 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 CA-C-N 113.084 -1.558 . . . . 0.0 110.561 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.54 ' H ' ' C ' ' A' ' 1' ' ' GLY . . . -123.72 -47.11 0.25 Allowed Glycine 0 C--N 1.35 1.355 0 C-N-CA 118.68 -1.724 . . . . 0.0 111.16 179.537 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.482 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 18.9 pttp -68.48 -43.44 76.92 Favored 'General case' 0 C--N 1.346 0.414 0 CA-C-N 112.853 -1.674 . . . . 0.0 109.648 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.482 ' N ' ' CG ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -52.83 -47.25 67.83 Favored 'General case' 0 C--N 1.348 0.517 0 CA-C-N 113.119 -1.855 . . . . 0.0 109.498 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.67 HD12 ' N ' ' A' ' 6' ' ' LEU . 5.9 mp -60.27 -41.07 92.53 Favored 'General case' 0 C--N 1.343 0.313 0 CA-C-N 112.814 -1.994 . . . . 0.0 109.904 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 -56.39 -45.72 80.48 Favored 'General case' 0 C--N 1.346 0.426 0 CA-C-N 113.149 -1.841 . . . . 0.0 109.842 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.406 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 48.2 t -62.64 -46.3 88.88 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 112.985 -1.916 . . . . 0.0 109.785 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 6' ' ' LEU . . . -43.86 -43.49 6.35 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 112.943 -1.935 . . . . 0.0 109.801 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 11' ' ' LYS . 34.4 ttmt -63.61 -70.35 0.22 Allowed 'General case' 0 C--N 1.345 0.404 0 CA-C-N 112.971 -1.922 . . . . 0.0 109.704 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 10' ' ' LYS . 9.6 mttp -41.26 -69.54 0.13 Allowed 'General case' 0 C--N 1.343 0.311 0 CA-C-N 113.025 -1.898 . . . . 0.0 109.742 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.409 ' C ' ' O ' ' A' ' 11' ' ' LYS . 0.2 OUTLIER -42.48 -40.55 2.64 Favored 'General case' 0 C--N 1.345 0.38 0 CA-C-N 113.097 -1.865 . . . . 0.0 109.681 179.85 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.429 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -55.69 -51.72 53.14 Favored Glycine 0 C--N 1.346 1.108 0 CA-C-N 113.151 -1.84 . . . . 0.0 111.61 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -53.75 -48.28 69.84 Favored 'General case' 0 C--N 1.346 0.433 0 CA-C-N 112.972 -1.614 . . . . 0.0 109.505 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.36 -36.58 63.99 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 112.811 -1.995 . . . . 0.0 109.955 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -67.38 -45.2 76.94 Favored 'General case' 0 C--N 1.347 0.481 0 CA-C-N 113.35 -1.75 . . . . 0.0 109.714 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 13' ' ' GLY . 86.8 t -55.08 -41.97 62.38 Favored 'Isoleucine or valine' 0 C--N 1.345 0.394 0 CA-C-N 112.952 -1.931 . . . . 0.0 109.798 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.62 -31.51 81.01 Favored Glycine 0 C--N 1.344 1.007 0 CA-C-N 113.142 -1.845 . . . . 0.0 112.311 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -67.72 -43.6 79.64 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-N 113.47 -1.365 . . . . 0.0 109.759 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 33.6 mm -66.35 -46.17 87.65 Favored 'Isoleucine or valine' 0 C--N 1.346 0.441 0 CA-C-N 113.135 -1.848 . . . . 0.0 109.562 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.4 ttt -55.3 -45.18 76.25 Favored 'General case' 0 C--N 1.344 0.337 0 CA-C-N 113.039 -1.892 . . . . 0.0 109.56 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -129.89 101.66 5.96 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 112.929 -1.941 . . . . 0.0 109.426 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 53.7 m -94.71 115.68 27.82 Favored 'General case' 0 C--N 1.345 0.386 0 CA-C-N 112.894 -1.957 . . . . 0.0 109.536 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.402 0 CA-C-N 113.083 -1.872 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.686 0 CA-C-O 122.012 0.785 . . . . 0.0 112.968 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.476 HG23 ' N ' ' A' ' 3' ' ' GLY . 18.6 tt -71.96 -41.66 68.7 Favored 'Isoleucine or valine' 0 C--N 1.346 0.439 0 CA-C-N 112.864 -1.668 . . . . 0.0 109.716 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.476 ' N ' HG23 ' A' ' 2' ' ' ILE . . . -69.48 -41.06 78.27 Favored Glycine 0 C--N 1.346 1.086 0 CA-C-N 113.35 -1.75 . . . . 0.0 111.663 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -52.41 -42.72 64.31 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 112.988 -1.606 . . . . 0.0 109.772 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -54.92 -34.86 63.57 Favored 'General case' 0 C--N 1.346 0.447 0 CA-C-N 113.001 -1.909 . . . . 0.0 110.458 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.516 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 64.9 mt -59.43 -43.51 93.07 Favored 'General case' 0 C--N 1.347 0.457 0 CA-C-N 113.609 -1.632 . . . . 0.0 110.215 -179.506 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 64.0 t-80 -59.39 -45.3 91.84 Favored 'General case' 0 C--N 1.342 0.265 0 CA-C-N 113.178 -1.828 . . . . 0.0 109.961 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 61.0 p -66.21 -33.24 75.32 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 113.086 -1.87 . . . . 0.0 110.66 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 6' ' ' LEU . . . -46.19 -41.73 13.1 Favored 'General case' 0 C--N 1.344 0.354 0 CA-C-N 113.658 -1.61 . . . . 0.0 110.12 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.9 mtmt -72.91 -37.49 67.22 Favored 'General case' 0 C--N 1.345 0.388 0 CA-C-N 113.305 -1.77 . . . . 0.0 110.432 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.69 -57.85 10.28 Favored 'General case' 0 C--N 1.346 0.429 0 CA-C-N 113.61 -1.632 . . . . 0.0 109.727 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -50.6 -54.32 23.65 Favored 'General case' 0 C--N 1.345 0.377 0 CA-C-N 112.848 -1.978 . . . . 0.0 109.925 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.409 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -48.22 -48.36 26.5 Favored Glycine 0 C--N 1.342 0.911 0 CA-C-N 112.775 -2.011 . . . . 0.0 112.173 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.6 tmtm? -48.28 -42.81 31.77 Favored 'General case' 0 C--N 1.344 0.355 0 CA-C-N 113.192 -1.504 . . . . 0.0 109.816 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.79 -38.37 83.27 Favored 'General case' 0 C--N 1.345 0.402 0 CA-C-N 112.953 -1.93 . . . . 0.0 110.234 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -56.04 -42.93 77.31 Favored 'General case' 0 C--N 1.346 0.427 0 CA-C-N 113.363 -1.744 . . . . 0.0 109.625 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 13' ' ' GLY . 46.5 t -63.4 -47.32 92.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 CA-C-N 112.924 -1.944 . . . . 0.0 109.58 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -55.26 -32.02 57.0 Favored Glycine 0 C--N 1.344 0.972 0 CA-C-N 112.656 -2.065 . . . . 0.0 112.506 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -67.47 -40.68 85.34 Favored 'General case' 0 C--N 1.346 0.431 0 CA-C-N 113.506 -1.347 . . . . 0.0 109.868 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 45.0 mm -59.69 -59.07 4.49 Favored 'Isoleucine or valine' 0 C--N 1.345 0.412 0 CA-C-N 113.389 -1.732 . . . . 0.0 109.545 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.472 ' C ' ' SD ' ' A' ' 21' ' ' MET . 0.0 OUTLIER -42.64 -42.08 3.32 Favored 'General case' 0 C--N 1.346 0.455 0 CA-C-N 113.073 -1.876 . . . . 0.0 109.727 179.832 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 26.1 t30 -72.2 -87.53 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 112.959 -1.928 . . . . 0.0 109.447 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.8 m -102.25 165.37 11.17 Favored 'General case' 0 C--N 1.346 0.45 0 CA-C-N 113.182 -1.826 . . . . 0.0 109.382 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.39 0 CA-C-N 112.914 -1.948 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.552 ' C ' ' H ' ' A' ' 3' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.714 0 CA-C-O 121.916 0.731 . . . . 0.0 112.939 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -75.92 27.79 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 CA-C-N 112.934 -1.633 . . . . 0.0 110.431 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.552 ' H ' ' C ' ' A' ' 1' ' ' GLY . . . -137.86 -44.21 0.08 OUTLIER Glycine 0 C--N 1.351 1.368 0 C-N-CA 118.655 -1.736 . . . . 0.0 111.461 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.0 ttmm -66.93 -43.55 82.98 Favored 'General case' 0 C--N 1.345 0.403 0 CA-C-N 112.905 -1.648 . . . . 0.0 109.707 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -44.45 -65.33 0.53 Allowed 'General case' 0 C--N 1.347 0.488 0 CA-C-N 113.09 -1.868 . . . . 0.0 109.556 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.63 HD12 ' N ' ' A' ' 6' ' ' LEU . 6.8 mp -49.28 -46.13 45.94 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 112.727 -2.033 . . . . 0.0 109.682 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -48.11 -40.42 23.41 Favored 'General case' 0 C--N 1.343 0.313 0 CA-C-N 112.849 -1.978 . . . . 0.0 110.111 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.3 t -74.12 -31.37 62.73 Favored 'General case' 0 C--N 1.345 0.379 0 CA-C-N 113.119 -1.855 . . . . 0.0 110.751 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 6' ' ' LEU . . . -48.95 -47.24 44.04 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 113.726 -1.579 . . . . 0.0 109.946 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -63.19 -57.57 10.08 Favored 'General case' 0 C--N 1.345 0.396 0 CA-C-N 113.194 -1.821 . . . . 0.0 109.896 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -46.25 -33.65 3.86 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 112.833 -1.985 . . . . 0.0 110.489 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -67.61 -47.61 69.2 Favored 'General case' 0 C--N 1.348 0.505 0 CA-C-N 113.736 -1.575 . . . . 0.0 109.625 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.95 -39.17 32.54 Favored Glycine 0 C--N 1.344 0.979 0 CA-C-N 112.827 -1.988 . . . . 0.0 111.639 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -61.84 -46.35 89.86 Favored 'General case' 0 C--N 1.346 0.416 0 CA-C-N 112.978 -1.611 . . . . 0.0 109.637 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.75 -31.39 69.59 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 112.707 -2.042 . . . . 0.0 110.497 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -60.0 -45.36 93.0 Favored 'General case' 0 C--N 1.347 0.464 0 CA-C-N 113.45 -1.704 . . . . 0.0 109.798 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 95.6 t -56.78 -39.99 67.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-N 112.877 -1.965 . . . . 0.0 109.919 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.03 -36.63 92.6 Favored Glycine 0 C--N 1.345 1.06 0 CA-C-N 113.189 -1.823 . . . . 0.0 112.238 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -66.7 -39.78 88.21 Favored 'General case' 0 C--N 1.346 0.444 0 CA-C-N 113.293 -1.454 . . . . 0.0 110.011 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 13.9 mm -57.28 -46.09 85.09 Favored 'Isoleucine or valine' 0 C--N 1.346 0.456 0 CA-C-N 113.497 -1.683 . . . . 0.0 109.589 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 5.3 ttm -60.44 -49.59 76.96 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 113.119 -1.855 . . . . 0.0 109.518 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -114.19 89.18 3.03 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 112.795 -2.002 . . . . 0.0 109.666 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 70.8 m -111.14 54.36 0.68 Allowed 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 113.023 -1.899 . . . . 0.0 109.422 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.344 0.342 0 CA-C-N 113.038 -1.892 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.416 ' O ' ' HB2' ' A' ' 5' ' ' PHE . . . . . . . . 0 CA--C 1.525 0.703 0 CA-C-O 121.905 0.725 . . . . 0.0 113.002 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.442 HG23 ' N ' ' A' ' 3' ' ' GLY . 5.3 tt -87.35 -47.42 15.85 Favored 'Isoleucine or valine' 0 C--N 1.347 0.461 0 CA-C-N 113.074 -1.563 . . . . 0.0 109.573 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.442 ' N ' HG23 ' A' ' 2' ' ' ILE . . . -57.58 -36.94 80.42 Favored Glycine 0 C--N 1.344 0.975 0 CA-C-N 113.043 -1.889 . . . . 0.0 111.987 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 44.3 tttp -72.06 -52.35 17.3 Favored 'General case' 0 C--N 1.347 0.488 0 CA-C-N 113.089 -1.556 . . . . 0.0 109.806 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.416 ' HB2' ' O ' ' A' ' 1' ' ' GLY . 2.4 t80 -45.4 -50.68 12.18 Favored 'General case' 0 C--N 1.346 0.416 0 CA-C-N 113.16 -1.836 . . . . 0.0 110.123 -179.295 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.507 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 89.0 mt -51.17 -57.98 7.35 Favored 'General case' 0 C--N 1.343 0.304 0 CA-C-N 112.958 -1.928 . . . . 0.0 110.367 -179.562 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 51.4 m170 -45.91 -42.81 13.22 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-N 112.957 -1.928 . . . . 0.0 110.333 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 11' ' ' LYS . 36.5 t -64.66 -40.72 95.92 Favored 'General case' 0 C--N 1.344 0.345 0 CA-C-N 113.193 -1.822 . . . . 0.0 110.342 -179.572 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.507 ' HB3' ' O ' ' A' ' 6' ' ' LEU . . . -46.21 -43.84 15.66 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 113.34 -1.754 . . . . 0.0 109.698 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -47.2 -43.55 21.57 Favored 'General case' 0 C--N 1.345 0.391 0 CA-C-N 113.153 -1.84 . . . . 0.0 109.872 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 8' ' ' SER . 23.3 ttmt -60.5 -48.09 83.3 Favored 'General case' 0 C--N 1.344 0.358 0 CA-C-N 113.161 -1.836 . . . . 0.0 109.581 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -51.71 -42.36 62.17 Favored 'General case' 0 C--N 1.345 0.407 0 CA-C-N 112.916 -1.947 . . . . 0.0 109.921 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.416 ' O ' ' HB3' ' A' ' 16' ' ' PHE . . . -47.73 -40.57 18.33 Favored Glycine 0 C--N 1.345 1.037 0 CA-C-N 113.113 -1.858 . . . . 0.0 112.055 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -62.41 -60.86 2.95 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 113.119 -1.54 . . . . 0.0 109.843 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.2 -31.54 20.72 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 112.821 -1.99 . . . . 0.0 110.529 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.416 ' HB3' ' O ' ' A' ' 13' ' ' GLY . 11.8 t80 -57.75 -43.33 85.36 Favored 'General case' 0 C--N 1.349 0.555 0 CA-C-N 113.591 -1.64 . . . . 0.0 109.783 -179.626 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 13' ' ' GLY . 54.0 t -59.73 -45.78 94.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 CA-C-N 113.065 -1.88 . . . . 0.0 109.561 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.59 -32.13 77.24 Favored Glycine 0 C--N 1.345 1.048 0 CA-C-N 112.862 -1.972 . . . . 0.0 112.288 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -67.68 -37.3 82.13 Favored 'General case' 0 C--N 1.345 0.409 0 CA-C-N 113.361 -1.419 . . . . 0.0 110.123 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.413 HG12 ' O ' ' A' ' 16' ' ' PHE . 44.9 mm -68.19 -43.7 84.69 Favored 'Isoleucine or valine' 0 C--N 1.347 0.477 0 CA-C-N 113.588 -1.642 . . . . 0.0 109.679 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.75 -43.25 47.86 Favored 'General case' 0 C--N 1.345 0.408 0 CA-C-N 113.092 -1.867 . . . . 0.0 109.814 179.615 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -118.74 91.74 3.63 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 113.019 -1.9 . . . . 0.0 109.536 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 38.6 m -94.22 -51.01 5.01 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 112.787 -2.006 . . . . 0.0 109.319 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.427 0 CA-C-N 112.989 -1.914 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.427 ' C ' ' H ' ' A' ' 3' ' ' GLY . . . . . . . . 0 CA--C 1.528 0.875 0 CA-C-O 121.861 0.701 . . . . 0.0 113.282 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.432 ' O ' HG13 ' A' ' 2' ' ' ILE . 11.2 tp -82.28 32.35 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 CA-C-N 113.159 -1.52 . . . . 0.0 110.42 -179.679 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.427 ' H ' ' C ' ' A' ' 1' ' ' GLY . . . -126.91 -47.32 0.19 Allowed Glycine 0 C--N 1.351 1.404 0 C-N-CA 118.556 -1.783 . . . . 0.0 111.102 179.189 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.68 ' H ' ' CD ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -76.2 -38.67 56.21 Favored 'General case' 0 C--N 1.343 0.325 0 CA-C-N 112.64 -1.78 . . . . 0.0 109.382 179.226 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -47.38 -70.97 0.08 Allowed 'General case' 0 C--N 1.349 0.567 0 CA-C-N 113.028 -1.896 . . . . 0.0 109.752 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.4 mt -47.65 -47.67 29.18 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 112.766 -2.015 . . . . 0.0 110.028 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.414 ' HB2' ' O ' ' A' ' 3' ' ' GLY . 35.0 t60 -49.87 -40.44 42.64 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 112.76 -2.018 . . . . 0.0 110.373 -179.669 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.1 m -69.88 -57.43 5.07 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 113.077 -1.874 . . . . 0.0 110.135 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -41.58 -35.88 0.82 Allowed 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 112.702 -2.045 . . . . 0.0 110.523 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.536 ' NZ ' ' CB ' ' A' ' 10' ' ' LYS . 2.3 ttmp? -80.88 -48.26 12.62 Favored 'General case' 0 C--N 1.345 0.381 0 CA-C-N 113.28 -1.782 . . . . 0.0 110.311 -179.266 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.8 tttm -56.72 -65.48 0.61 Allowed 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 113.198 -1.819 . . . . 0.0 109.465 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -52.49 -39.11 60.85 Favored 'General case' 0 C--N 1.345 0.379 0 CA-C-N 112.979 -1.919 . . . . 0.0 110.121 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.5 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -63.73 -31.42 80.73 Favored Glycine 0 CA--C 1.531 1.081 0 CA-C-N 113.23 -1.805 . . . . 0.0 112.468 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.2 tptt -66.55 -45.78 78.26 Favored 'General case' 0 C--N 1.346 0.447 0 CA-C-N 113.45 -1.375 . . . . 0.0 109.902 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.47 -32.49 71.45 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 113.066 -1.879 . . . . 0.0 110.315 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -63.93 -59.11 4.92 Favored 'General case' 0 C--N 1.348 0.506 0 CA-C-N 113.597 -1.638 . . . . 0.0 109.275 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 13' ' ' GLY . 59.5 t -51.85 -41.55 30.53 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 CA-C-N 112.554 -2.112 . . . . 0.0 109.829 179.707 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -49.04 -39.07 25.79 Favored Glycine 0 C--N 1.346 1.088 0 CA-C-N 113.051 -1.886 . . . . 0.0 112.004 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -67.74 -38.43 83.5 Favored 'General case' 0 C--N 1.346 0.431 0 CA-C-N 113.219 -1.491 . . . . 0.0 110.16 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' A' ' 21' ' ' MET . 1.6 mp -60.6 -43.7 95.23 Favored 'Isoleucine or valine' 0 C--N 1.346 0.428 0 CA-C-N 113.584 -1.644 . . . . 0.0 109.715 -179.625 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.569 ' C ' ' SD ' ' A' ' 21' ' ' MET . 0.1 OUTLIER -41.39 -46.07 3.25 Favored 'General case' 0 C--N 1.346 0.434 0 CA-C-N 113.35 -1.75 . . . . 0.0 109.685 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -50.46 -60.0 3.44 Favored 'General case' 0 C--N 1.343 0.32 0 CA-C-N 112.63 -2.077 . . . . 0.0 109.767 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.0 t -109.7 61.44 0.6 Allowed 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 113.168 -1.833 . . . . 0.0 109.566 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.344 0.331 0 CA-C-N 112.985 -1.916 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.795 0 CA-C-O 121.886 0.714 . . . . 0.0 112.924 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.477 HG23 ' N ' ' A' ' 3' ' ' GLY . 6.7 tp -73.55 -42.9 55.77 Favored 'Isoleucine or valine' 0 C--N 1.345 0.404 0 CA-C-N 113.034 -1.583 . . . . 0.0 109.706 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.477 ' N ' HG23 ' A' ' 2' ' ' ILE . . . -78.08 -49.05 7.18 Favored Glycine 0 C--N 1.344 1.008 0 CA-C-N 113.268 -1.787 . . . . 0.0 111.817 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.436 ' O ' ' HB3' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -47.75 -40.81 21.63 Favored 'General case' 0 C--N 1.346 0.42 0 CA-C-N 113.046 -1.577 . . . . 0.0 109.966 -179.757 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -45.87 -57.45 4.33 Favored 'General case' 0 C--N 1.347 0.471 0 CA-C-N 113.514 -1.675 . . . . 0.0 109.604 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.423 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 80.4 mt -43.16 -55.61 3.83 Favored 'General case' 0 C--N 1.342 0.251 0 CA-C-N 113.034 -1.894 . . . . 0.0 110.103 -179.615 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.436 ' HB3' ' O ' ' A' ' 4' ' ' LYS . 49.6 t-80 -43.41 -45.92 6.43 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 112.91 -1.95 . . . . 0.0 110.159 -179.574 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 42.0 m -70.43 -36.92 74.26 Favored 'General case' 0 C--N 1.342 0.269 0 CA-C-N 112.93 -1.941 . . . . 0.0 110.827 -179.443 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 6' ' ' LEU . . . -52.08 -37.05 52.68 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 113.444 -1.707 . . . . 0.0 110.384 -179.518 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -65.45 -64.38 0.88 Allowed 'General case' 0 C--N 1.346 0.42 0 CA-C-N 113.465 -1.698 . . . . 0.0 109.825 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -45.84 -64.72 0.67 Allowed 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 112.899 -1.955 . . . . 0.0 109.738 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.414 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 0.5 OUTLIER -49.94 -45.29 51.04 Favored 'General case' 0 C--N 1.345 0.391 0 CA-C-N 112.991 -1.913 . . . . 0.0 109.66 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.415 ' O ' ' HB2' ' A' ' 16' ' ' PHE . . . -43.26 -52.65 5.98 Favored Glycine 0 C--N 1.343 0.942 0 CA-C-N 112.912 -1.949 . . . . 0.0 112.054 -179.646 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.415 ' O ' ' HD3' ' A' ' 14' ' ' LYS . 5.9 tmtt? -53.45 -44.56 68.98 Favored 'General case' 0 C--N 1.344 0.363 0 CA-C-N 113.087 -1.557 . . . . 0.0 109.666 -179.751 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -60.8 -37.17 81.02 Favored 'General case' 0 C--N 1.344 0.335 0 CA-C-N 112.797 -2.002 . . . . 0.0 110.38 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.427 ' O ' HG12 ' A' ' 20' ' ' ILE . 0.3 OUTLIER -54.71 -49.98 69.42 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 113.421 -1.718 . . . . 0.0 109.327 -179.721 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 42.0 t -56.47 -45.41 81.92 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-N 112.602 -2.09 . . . . 0.0 109.868 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.08 -35.56 70.09 Favored Glycine 0 C--N 1.343 0.955 0 CA-C-N 112.974 -1.921 . . . . 0.0 112.279 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.47 ' O ' ' CB ' ' A' ' 22' ' ' ASN . 52.3 mt-10 -74.46 -42.45 59.06 Favored 'General case' 0 C--N 1.345 0.412 0 CA-C-N 113.283 -1.459 . . . . 0.0 110.09 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.427 HG12 ' O ' ' A' ' 16' ' ' PHE . 18.6 mm -48.75 -49.23 14.91 Favored 'Isoleucine or valine' 0 C--N 1.345 0.411 0 CA-C-N 113.487 -1.688 . . . . 0.0 109.605 -179.684 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.432 ' O ' ' C ' ' A' ' 22' ' ' ASN . 0.0 OUTLIER -44.58 -39.8 5.25 Favored 'General case' 0 C--N 1.345 0.387 0 CA-C-N 113.126 -1.852 . . . . 0.0 110.152 -179.717 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.47 ' CB ' ' O ' ' A' ' 19' ' ' GLU . 15.7 t-20 -39.69 -86.65 0.0 OUTLIER 'General case' 0 C--N 1.347 0.498 0 CA-C-N 113.411 -1.722 . . . . 0.0 109.845 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.2 m -99.87 116.96 33.14 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 113.078 -1.874 . . . . 0.0 109.36 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.432 0 CA-C-N 113.14 -1.845 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.716 0 CA-C-O 121.959 0.755 . . . . 0.0 112.895 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.498 HG23 ' N ' ' A' ' 3' ' ' GLY . 0.9 OUTLIER -79.49 -43.32 23.46 Favored 'Isoleucine or valine' 0 C--N 1.345 0.404 0 CA-C-N 112.891 -1.655 . . . . 0.0 109.724 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.498 ' N ' HG23 ' A' ' 2' ' ' ILE . . . -71.7 -35.44 62.3 Favored Glycine 0 C--N 1.345 1.068 0 CA-C-N 113.091 -1.868 . . . . 0.0 111.895 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.426 ' O ' ' HB3' ' A' ' 7' ' ' HIS . 14.7 tttt -59.02 -53.83 54.02 Favored 'General case' 0 C--N 1.348 0.521 0 CA-C-N 113.22 -1.49 . . . . 0.0 109.418 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.406 ' O ' ' N ' ' A' ' 8' ' ' SER . 0.7 OUTLIER -51.78 -62.93 1.32 Allowed 'General case' 0 C--N 1.345 0.383 0 CA-C-N 112.971 -1.922 . . . . 0.0 109.689 -179.899 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 80.1 mt -42.56 -38.47 1.98 Allowed 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 112.879 -1.964 . . . . 0.0 110.531 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.426 ' HB3' ' O ' ' A' ' 4' ' ' LYS . 71.9 t60 -66.22 -48.5 70.35 Favored 'General case' 0 C--N 1.345 0.411 0 CA-C-N 113.572 -1.649 . . . . 0.0 110.173 -179.482 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 5' ' ' PHE . 84.5 p -55.43 -50.7 69.11 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 112.942 -1.936 . . . . 0.0 110.063 -179.378 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.9 -41.9 58.9 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 113.055 -1.884 . . . . 0.0 110.379 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.0 mtpt -66.61 -42.56 86.66 Favored 'General case' 0 C--N 1.345 0.379 0 CA-C-N 113.285 -1.78 . . . . 0.0 110.558 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -60.64 -37.46 81.59 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 113.209 -1.814 . . . . 0.0 110.163 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -72.47 -42.61 64.75 Favored 'General case' 0 C--N 1.346 0.425 0 CA-C-N 113.46 -1.7 . . . . 0.0 109.937 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.414 ' O ' ' HB3' ' A' ' 16' ' ' PHE . . . -58.27 -42.22 95.36 Favored Glycine 0 C--N 1.342 0.891 0 C-N-CA 118.445 -1.836 . . . . 0.0 111.319 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.415 ' HA ' ' HD3' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -58.43 -52.62 64.88 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 112.931 -1.634 . . . . 0.0 109.455 179.909 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.83 -27.8 68.34 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 112.679 -2.055 . . . . 0.0 110.62 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.423 ' O ' ' HB3' ' A' ' 19' ' ' GLU . 10.7 t80 -61.56 -49.28 77.31 Favored 'General case' 0 C--N 1.347 0.498 0 CA-C-N 113.762 -1.563 . . . . 0.0 109.576 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 69.2 t -59.23 -44.44 92.01 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-N 112.717 -2.038 . . . . 0.0 109.81 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -56.86 -25.81 53.29 Favored Glycine 0 CA--C 1.532 1.123 0 CA-C-N 112.994 -1.912 . . . . 0.0 112.281 179.714 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.423 ' HB3' ' O ' ' A' ' 16' ' ' PHE . 34.8 tt0 -68.44 -46.98 68.39 Favored 'General case' 0 C--N 1.35 0.607 0 CA-C-N 113.478 -1.361 . . . . 0.0 109.345 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.7 mp -51.44 -51.85 22.89 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 CA-C-N 112.823 -1.99 . . . . 0.0 109.072 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.85 -43.11 8.52 Favored 'General case' 0 C--N 1.345 0.382 0 CA-C-N 112.745 -2.025 . . . . 0.0 109.67 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.416 ' HB3' ' O ' ' A' ' 19' ' ' GLU . 21.2 t30 -69.12 -84.87 0.02 OUTLIER 'General case' 0 C--N 1.345 0.397 0 CA-C-N 113.037 -1.892 . . . . 0.0 109.426 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 p -120.36 177.04 5.18 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 112.96 -1.927 . . . . 0.0 109.483 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.372 0 CA-C-N 112.983 -1.917 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.735 0 CA-C-O 121.949 0.749 . . . . 0.0 112.831 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.439 HG23 ' N ' ' A' ' 3' ' ' GLY . 16.1 tt -86.53 -40.68 14.41 Favored 'Isoleucine or valine' 0 C--N 1.347 0.457 0 CA-C-N 112.882 -1.659 . . . . 0.0 109.863 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.439 ' N ' HG23 ' A' ' 2' ' ' ILE . . . -53.13 -37.42 54.35 Favored Glycine 0 C--N 1.346 1.133 0 C-N-CA 118.367 -1.873 . . . . 0.0 111.679 179.663 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 36.3 tttp -78.35 -42.53 30.22 Favored 'General case' 0 C--N 1.346 0.452 0 CA-C-N 113.074 -1.563 . . . . 0.0 109.857 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -49.88 -51.29 41.58 Favored 'General case' 0 C--N 1.346 0.421 0 CA-C-N 112.941 -1.936 . . . . 0.0 110.169 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.46 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 86.0 mt -55.07 -39.02 68.81 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 112.907 -1.952 . . . . 0.0 110.321 -179.704 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 16.7 t60 -54.97 -54.76 38.69 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 113.376 -1.738 . . . . 0.0 110.193 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.419 ' O ' ' N ' ' A' ' 11' ' ' LYS . 45.8 t -60.72 -43.07 98.3 Favored 'General case' 0 C--N 1.343 0.321 0 CA-C-N 112.985 -1.916 . . . . 0.0 110.081 -179.477 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.46 ' HB3' ' O ' ' A' ' 6' ' ' LEU . . . -43.83 -38.85 3.5 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 113.112 -1.858 . . . . 0.0 110.194 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.69 -46.52 82.05 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 113.326 -1.761 . . . . 0.0 109.99 -179.526 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 8' ' ' SER . 17.6 mmtp -51.44 -48.37 62.75 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 113.085 -1.87 . . . . 0.0 109.817 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -62.63 -44.38 96.42 Favored 'General case' 0 C--N 1.345 0.381 0 CA-C-N 113.055 -1.884 . . . . 0.0 109.844 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.13 -46.57 15.49 Favored Glycine 0 C--N 1.343 0.954 0 CA-C-N 113.0 -1.909 . . . . 0.0 111.646 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -67.41 -45.43 76.19 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 112.978 -1.611 . . . . 0.0 109.71 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.42 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -47.55 -32.59 5.53 Favored 'General case' 0 CA--C 1.535 0.365 0 CA-C-N 112.934 -1.939 . . . . 0.0 110.524 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -71.07 -48.01 55.06 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-N 113.837 -1.529 . . . . 0.0 110.132 -179.333 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 64.9 t -57.89 -39.71 72.8 Favored 'Isoleucine or valine' 0 C--N 1.342 0.274 0 CA-C-N 113.088 -1.869 . . . . 0.0 110.426 -179.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.54 -41.58 89.93 Favored Glycine 0 C--N 1.344 1.02 0 CA-C-N 113.171 -1.831 . . . . 0.0 112.136 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 70.6 mt-10 -66.04 -37.78 86.73 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 113.17 -1.515 . . . . 0.0 110.176 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.2 mm -67.62 -48.25 77.19 Favored 'Isoleucine or valine' 0 C--N 1.347 0.487 0 CA-C-N 113.444 -1.707 . . . . 0.0 109.769 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.434 ' O ' ' C ' ' A' ' 22' ' ' ASN . 21.2 mtt -55.03 -32.55 61.94 Favored 'General case' 0 C--N 1.346 0.418 0 CA-C-N 113.048 -1.887 . . . . 0.0 110.644 -179.697 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.434 ' C ' ' O ' ' A' ' 21' ' ' MET . 42.7 t30 -39.32 -48.1 1.82 Allowed 'General case' 0 C--N 1.349 0.571 0 CA-C-N 113.669 -1.605 . . . . 0.0 110.15 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.7 t -130.39 -84.92 0.53 Allowed 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 113.156 -1.838 . . . . 0.0 109.524 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.411 0 CA-C-N 113.098 -1.864 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.774 0 CA-C-O 121.824 0.68 . . . . 0.0 112.84 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.46 HG23 ' N ' ' A' ' 3' ' ' GLY . 13.9 tt -79.19 -43.25 24.03 Favored 'Isoleucine or valine' 0 C--N 1.345 0.379 0 CA-C-N 113.134 -1.533 . . . . 0.0 109.734 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.46 ' N ' HG23 ' A' ' 2' ' ' ILE . . . -59.54 -37.06 91.62 Favored Glycine 0 C--N 1.345 1.04 0 C-N-CA 118.576 -1.773 . . . . 0.0 112.09 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 7' ' ' HIS . 1.5 tmtp? -64.59 -48.12 76.13 Favored 'General case' 0 C--N 1.345 0.398 0 CA-C-N 113.182 -1.509 . . . . 0.0 109.669 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -44.11 -47.81 8.98 Favored 'General case' 0 C--N 1.344 0.329 0 CA-C-N 112.973 -1.921 . . . . 0.0 109.797 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.405 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 76.0 mt -62.51 -43.44 98.82 Favored 'General case' 0 C--N 1.343 0.313 0 CA-C-N 112.933 -1.939 . . . . 0.0 109.727 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.409 ' N ' ' O ' ' A' ' 4' ' ' LYS . 1.1 t60 -47.48 -43.65 24.62 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 112.881 -1.963 . . . . 0.0 109.884 -179.688 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.5 m -73.77 -35.11 64.94 Favored 'General case' 0 C--N 1.345 0.389 0 CA-C-N 113.142 -1.845 . . . . 0.0 110.377 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 6' ' ' LEU . . . -52.85 -54.43 34.53 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 113.446 -1.707 . . . . 0.0 109.751 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.3 ttmt -63.32 -46.45 86.58 Favored 'General case' 0 C--N 1.345 0.382 0 CA-C-N 113.049 -1.887 . . . . 0.0 109.876 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.8 ttmm -44.95 -69.37 0.14 Allowed 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 113.04 -1.891 . . . . 0.0 109.582 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -49.88 -51.18 42.46 Favored 'General case' 0 C--N 1.345 0.384 0 CA-C-N 113.061 -1.882 . . . . 0.0 109.741 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.418 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -44.83 -37.31 5.26 Favored Glycine 0 C--N 1.342 0.889 0 CA-C-N 112.879 -1.964 . . . . 0.0 112.022 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -75.11 -46.1 36.77 Favored 'General case' 0 C--N 1.344 0.364 0 CA-C-N 113.143 -1.528 . . . . 0.0 109.761 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.97 -35.85 11.56 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 112.815 -1.993 . . . . 0.0 110.036 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.432 ' O ' HG12 ' A' ' 20' ' ' ILE . 3.2 m-85 -65.54 -63.73 1.03 Allowed 'General case' 0 C--N 1.347 0.473 0 CA-C-N 113.447 -1.706 . . . . 0.0 109.4 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 13' ' ' GLY . 46.4 t -45.46 -31.91 1.08 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 CA-C-N 112.802 -1.999 . . . . 0.0 110.36 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -66.37 -37.97 93.23 Favored Glycine 0 C--N 1.349 1.255 0 C-N-CA 118.753 -1.689 . . . . 0.0 112.526 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 16' ' ' PHE . 76.0 mm-40 -110.82 23.81 13.72 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 113.467 -1.366 . . . . 0.0 111.266 -179.508 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.432 HG12 ' O ' ' A' ' 16' ' ' PHE . 13.2 mm -113.84 -38.86 2.87 Favored 'Isoleucine or valine' 0 C--N 1.347 0.479 0 CA-C-N 114.051 -1.431 . . . . 0.0 109.415 179.122 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.51 -34.9 17.26 Favored 'General case' 0 C--N 1.348 0.52 0 CA-C-N 113.182 -1.826 . . . . 0.0 110.09 179.505 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -66.52 -43.75 84.38 Favored 'General case' 0 C--N 1.347 0.479 0 CA-C-N 113.45 -1.704 . . . . 0.0 109.851 -179.544 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.7 m -94.82 92.42 6.94 Favored 'General case' 0 C--N 1.345 0.393 0 CA-C-N 113.192 -1.822 . . . . 0.0 109.504 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.37 0 CA-C-N 113.014 -1.903 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.459 ' C ' ' H ' ' A' ' 3' ' ' GLY . . . . . . . . 0 CA--C 1.526 0.771 0 CA-C-O 121.922 0.735 . . . . 0.0 112.912 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.421 ' O ' HG13 ' A' ' 2' ' ' ILE . 4.4 tp -80.33 28.71 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 CA-C-N 112.938 -1.631 . . . . 0.0 110.387 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.459 ' H ' ' C ' ' A' ' 1' ' ' GLY . . . -145.83 -44.76 0.04 OUTLIER Glycine 0 C--N 1.35 1.326 0 C-N-CA 118.523 -1.799 . . . . 0.0 111.389 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.58 -42.85 67.28 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 112.806 -1.697 . . . . 0.0 109.654 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -46.88 -50.1 19.2 Favored 'General case' 0 C--N 1.346 0.432 0 CA-C-N 113.139 -1.846 . . . . 0.0 109.736 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.92 -42.38 94.76 Favored 'General case' 0 C--N 1.343 0.311 0 CA-C-N 112.937 -1.938 . . . . 0.0 109.545 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 22.4 t-80 -46.89 -41.45 15.9 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 113.07 -1.877 . . . . 0.0 109.843 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 87.2 p -76.58 -46.89 24.34 Favored 'General case' 0 C--N 1.347 0.457 0 CA-C-N 113.136 -1.847 . . . . 0.0 109.791 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -43.43 -41.26 4.16 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 112.849 -1.978 . . . . 0.0 110.045 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.23 -50.16 71.33 Favored 'General case' 0 C--N 1.345 0.387 0 CA-C-N 113.176 -1.829 . . . . 0.0 110.033 -179.444 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 14' ' ' LYS . 37.9 tttm -52.12 -58.76 5.61 Favored 'General case' 0 C--N 1.343 0.325 0 CA-C-N 113.189 -1.823 . . . . 0.0 109.656 -179.735 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.453 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 45.6 t80 -43.01 -43.71 4.36 Favored 'General case' 0 C--N 1.346 0.447 0 CA-C-N 113.136 -1.847 . . . . 0.0 109.813 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -55.39 -46.53 79.93 Favored Glycine 0 C--N 1.345 1.048 0 CA-C-N 112.966 -1.925 . . . . 0.0 111.751 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 17' ' ' VAL . 11.5 tmtt? -60.33 -46.23 90.64 Favored 'General case' 0 C--N 1.345 0.392 0 CA-C-N 113.115 -1.543 . . . . 0.0 109.637 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -44.35 -42.61 6.94 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 112.897 -1.956 . . . . 0.0 109.843 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -61.43 -46.57 89.54 Favored 'General case' 0 C--N 1.346 0.447 0 CA-C-N 113.074 -1.876 . . . . 0.0 109.652 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' A' ' 14' ' ' LYS . 73.6 t -49.92 -45.47 22.32 Favored 'Isoleucine or valine' 0 C--N 1.344 0.366 0 CA-C-N 112.999 -1.909 . . . . 0.0 109.77 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.476 ' O ' ' OG ' ' A' ' 23' ' ' SER . . . -54.42 -44.06 76.87 Favored Glycine 0 C--N 1.343 0.961 0 CA-C-N 112.95 -1.932 . . . . 0.0 111.961 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.432 ' HA ' ' H ' ' A' ' 23' ' ' SER . 45.5 tt0 -62.31 -41.75 98.78 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 113.116 -1.542 . . . . 0.0 109.374 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.42 ' HB ' ' O ' ' A' ' 17' ' ' VAL . 10.6 mm -56.45 -49.6 76.45 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 CA-C-N 113.196 -1.82 . . . . 0.0 108.877 179.569 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.644 ' O ' ' CB ' ' A' ' 22' ' ' ASN . 19.1 ttt -62.98 -10.72 14.8 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 112.985 -1.916 . . . . 0.0 110.565 179.304 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.644 ' CB ' ' O ' ' A' ' 21' ' ' MET . 10.0 t30 96.24 52.45 0.0 OUTLIER 'General case' 0 C--N 1.357 0.906 0 O-C-N 125.216 1.573 . . . . 0.0 109.746 179.72 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.476 ' OG ' ' O ' ' A' ' 18' ' ' GLY . 53.3 m -88.51 133.92 34.01 Favored 'General case' 0 C--N 1.346 0.416 0 CA-C-N 112.863 -1.971 . . . . 0.0 109.153 179.449 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.344 0.349 0 CA-C-N 113.003 -1.908 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . 0.54 ' C ' ' H ' ' A' ' 3' ' ' GLY . . . . . . . . 0 CA--C 1.526 0.762 0 CA-C-O 121.833 0.685 . . . . 0.0 112.88 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.571 ' C ' HD13 ' A' ' 6' ' ' LEU . 15.7 tt -76.69 26.44 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 CA-C-N 113.084 -1.558 . . . . 0.0 110.561 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.54 ' H ' ' C ' ' A' ' 1' ' ' GLY . . . -123.72 -47.11 0.25 Allowed Glycine 0 C--N 1.35 1.355 0 C-N-CA 118.68 -1.724 . . . . 0.0 111.16 179.537 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.482 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 18.9 pttp -68.48 -43.44 76.92 Favored 'General case' 0 C--N 1.346 0.414 0 CA-C-N 112.853 -1.674 . . . . 0.0 109.648 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.482 ' N ' ' CG ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -52.83 -47.25 67.83 Favored 'General case' 0 C--N 1.348 0.517 0 CA-C-N 113.119 -1.855 . . . . 0.0 109.498 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.67 ' N ' HD12 ' A' ' 6' ' ' LEU . 5.9 mp -60.27 -41.07 92.53 Favored 'General case' 0 C--N 1.343 0.313 0 CA-C-N 112.814 -1.994 . . . . 0.0 109.904 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 -56.39 -45.72 80.48 Favored 'General case' 0 C--N 1.346 0.426 0 CA-C-N 113.149 -1.841 . . . . 0.0 109.842 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.406 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 48.2 t -62.64 -46.3 88.88 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 112.985 -1.916 . . . . 0.0 109.785 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 6' ' ' LEU . . . -43.86 -43.49 6.35 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 112.943 -1.935 . . . . 0.0 109.801 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 11' ' ' LYS . 34.4 ttmt -63.61 -70.35 0.22 Allowed 'General case' 0 C--N 1.345 0.404 0 CA-C-N 112.971 -1.922 . . . . 0.0 109.704 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 10' ' ' LYS . 9.6 mttp -41.26 -69.54 0.13 Allowed 'General case' 0 C--N 1.343 0.311 0 CA-C-N 113.025 -1.898 . . . . 0.0 109.742 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.409 ' C ' ' O ' ' A' ' 11' ' ' LYS . 0.2 OUTLIER -42.48 -40.55 2.64 Favored 'General case' 0 C--N 1.345 0.38 0 CA-C-N 113.097 -1.865 . . . . 0.0 109.681 179.85 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.429 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -55.69 -51.72 53.14 Favored Glycine 0 C--N 1.346 1.108 0 CA-C-N 113.151 -1.84 . . . . 0.0 111.61 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -53.75 -48.28 69.84 Favored 'General case' 0 C--N 1.346 0.433 0 CA-C-N 112.972 -1.614 . . . . 0.0 109.505 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.36 -36.58 63.99 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 112.811 -1.995 . . . . 0.0 109.955 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -67.38 -45.2 76.94 Favored 'General case' 0 C--N 1.347 0.481 0 CA-C-N 113.35 -1.75 . . . . 0.0 109.714 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 13' ' ' GLY . 86.8 t -55.08 -41.97 62.38 Favored 'Isoleucine or valine' 0 C--N 1.345 0.394 0 CA-C-N 112.952 -1.931 . . . . 0.0 109.798 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.62 -31.51 81.01 Favored Glycine 0 C--N 1.344 1.007 0 CA-C-N 113.142 -1.845 . . . . 0.0 112.311 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -67.72 -43.6 79.64 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-N 113.47 -1.365 . . . . 0.0 109.759 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 33.6 mm -66.35 -46.17 87.65 Favored 'Isoleucine or valine' 0 C--N 1.346 0.441 0 CA-C-N 113.135 -1.848 . . . . 0.0 109.562 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.4 ttt . . . . . 0 C--N 1.344 0.337 0 CA-C-N 113.039 -1.892 . . . . 0.0 109.56 179.881 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.686 0 CA-C-O 122.012 0.785 . . . . 0.0 112.968 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.476 HG23 ' N ' ' A' ' 3' ' ' GLY . 18.6 tt -71.96 -41.66 68.7 Favored 'Isoleucine or valine' 0 C--N 1.346 0.439 0 CA-C-N 112.864 -1.668 . . . . 0.0 109.716 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.476 ' N ' HG23 ' A' ' 2' ' ' ILE . . . -69.48 -41.06 78.27 Favored Glycine 0 C--N 1.346 1.086 0 CA-C-N 113.35 -1.75 . . . . 0.0 111.663 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -52.41 -42.72 64.31 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 112.988 -1.606 . . . . 0.0 109.772 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -54.92 -34.86 63.57 Favored 'General case' 0 C--N 1.346 0.447 0 CA-C-N 113.001 -1.909 . . . . 0.0 110.458 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.516 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 64.9 mt -59.43 -43.51 93.07 Favored 'General case' 0 C--N 1.347 0.457 0 CA-C-N 113.609 -1.632 . . . . 0.0 110.215 -179.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 64.0 t-80 -59.39 -45.3 91.84 Favored 'General case' 0 C--N 1.342 0.265 0 CA-C-N 113.178 -1.828 . . . . 0.0 109.961 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 61.0 p -66.21 -33.24 75.32 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 113.086 -1.87 . . . . 0.0 110.66 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 6' ' ' LEU . . . -46.19 -41.73 13.1 Favored 'General case' 0 C--N 1.344 0.354 0 CA-C-N 113.658 -1.61 . . . . 0.0 110.12 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.9 mtmt -72.91 -37.49 67.22 Favored 'General case' 0 C--N 1.345 0.388 0 CA-C-N 113.305 -1.77 . . . . 0.0 110.432 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.69 -57.85 10.28 Favored 'General case' 0 C--N 1.346 0.429 0 CA-C-N 113.61 -1.632 . . . . 0.0 109.727 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -50.6 -54.32 23.65 Favored 'General case' 0 C--N 1.345 0.377 0 CA-C-N 112.848 -1.978 . . . . 0.0 109.925 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.409 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -48.22 -48.36 26.5 Favored Glycine 0 C--N 1.342 0.911 0 CA-C-N 112.775 -2.011 . . . . 0.0 112.173 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.6 tmtm? -48.28 -42.81 31.77 Favored 'General case' 0 C--N 1.344 0.355 0 CA-C-N 113.192 -1.504 . . . . 0.0 109.816 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.79 -38.37 83.27 Favored 'General case' 0 C--N 1.345 0.402 0 CA-C-N 112.953 -1.93 . . . . 0.0 110.234 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -56.04 -42.93 77.31 Favored 'General case' 0 C--N 1.346 0.427 0 CA-C-N 113.363 -1.744 . . . . 0.0 109.625 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 13' ' ' GLY . 46.5 t -63.4 -47.32 92.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 CA-C-N 112.924 -1.944 . . . . 0.0 109.58 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -55.26 -32.02 57.0 Favored Glycine 0 C--N 1.344 0.972 0 CA-C-N 112.656 -2.065 . . . . 0.0 112.506 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -67.47 -40.68 85.34 Favored 'General case' 0 C--N 1.346 0.431 0 CA-C-N 113.506 -1.347 . . . . 0.0 109.868 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 45.0 mm -59.69 -59.07 4.49 Favored 'Isoleucine or valine' 0 C--N 1.345 0.412 0 CA-C-N 113.389 -1.732 . . . . 0.0 109.545 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.472 ' SD ' ' C ' ' A' ' 21' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.346 0.455 0 CA-C-N 113.073 -1.876 . . . . 0.0 109.727 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . 0.552 ' C ' ' H ' ' A' ' 3' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.714 0 CA-C-O 121.916 0.731 . . . . 0.0 112.939 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -75.92 27.79 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 CA-C-N 112.934 -1.633 . . . . 0.0 110.431 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.552 ' H ' ' C ' ' A' ' 1' ' ' GLY . . . -137.86 -44.21 0.08 OUTLIER Glycine 0 C--N 1.351 1.368 0 C-N-CA 118.655 -1.736 . . . . 0.0 111.461 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.0 ttmm -66.93 -43.55 82.98 Favored 'General case' 0 C--N 1.345 0.403 0 CA-C-N 112.905 -1.648 . . . . 0.0 109.707 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -44.45 -65.33 0.53 Allowed 'General case' 0 C--N 1.347 0.488 0 CA-C-N 113.09 -1.868 . . . . 0.0 109.556 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.63 ' N ' HD12 ' A' ' 6' ' ' LEU . 6.8 mp -49.28 -46.13 45.94 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 112.727 -2.033 . . . . 0.0 109.682 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -48.11 -40.42 23.41 Favored 'General case' 0 C--N 1.343 0.313 0 CA-C-N 112.849 -1.978 . . . . 0.0 110.111 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.3 t -74.12 -31.37 62.73 Favored 'General case' 0 C--N 1.345 0.379 0 CA-C-N 113.119 -1.855 . . . . 0.0 110.751 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 6' ' ' LEU . . . -48.95 -47.24 44.04 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 113.726 -1.579 . . . . 0.0 109.946 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -63.19 -57.57 10.08 Favored 'General case' 0 C--N 1.345 0.396 0 CA-C-N 113.194 -1.821 . . . . 0.0 109.896 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -46.25 -33.65 3.86 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 112.833 -1.985 . . . . 0.0 110.489 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -67.61 -47.61 69.2 Favored 'General case' 0 C--N 1.348 0.505 0 CA-C-N 113.736 -1.575 . . . . 0.0 109.625 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.95 -39.17 32.54 Favored Glycine 0 C--N 1.344 0.979 0 CA-C-N 112.827 -1.988 . . . . 0.0 111.639 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -61.84 -46.35 89.86 Favored 'General case' 0 C--N 1.346 0.416 0 CA-C-N 112.978 -1.611 . . . . 0.0 109.637 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.75 -31.39 69.59 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 112.707 -2.042 . . . . 0.0 110.497 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -60.0 -45.36 93.0 Favored 'General case' 0 C--N 1.347 0.464 0 CA-C-N 113.45 -1.704 . . . . 0.0 109.798 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 95.6 t -56.78 -39.99 67.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-N 112.877 -1.965 . . . . 0.0 109.919 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.03 -36.63 92.6 Favored Glycine 0 C--N 1.345 1.06 0 CA-C-N 113.189 -1.823 . . . . 0.0 112.238 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -66.7 -39.78 88.21 Favored 'General case' 0 C--N 1.346 0.444 0 CA-C-N 113.293 -1.454 . . . . 0.0 110.011 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 13.9 mm -57.28 -46.09 85.09 Favored 'Isoleucine or valine' 0 C--N 1.346 0.456 0 CA-C-N 113.497 -1.683 . . . . 0.0 109.589 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 5.3 ttm . . . . . 0 N--CA 1.451 -0.403 0 CA-C-N 113.119 -1.855 . . . . 0.0 109.518 179.96 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . 0.416 ' O ' ' HB2' ' A' ' 5' ' ' PHE . . . . . . . . 0 CA--C 1.525 0.703 0 CA-C-O 121.905 0.725 . . . . 0.0 113.002 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.442 HG23 ' N ' ' A' ' 3' ' ' GLY . 5.3 tt -87.35 -47.42 15.85 Favored 'Isoleucine or valine' 0 C--N 1.347 0.461 0 CA-C-N 113.074 -1.563 . . . . 0.0 109.573 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.442 ' N ' HG23 ' A' ' 2' ' ' ILE . . . -57.58 -36.94 80.42 Favored Glycine 0 C--N 1.344 0.975 0 CA-C-N 113.043 -1.889 . . . . 0.0 111.987 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 44.3 tttp -72.06 -52.35 17.3 Favored 'General case' 0 C--N 1.347 0.488 0 CA-C-N 113.089 -1.556 . . . . 0.0 109.806 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.416 ' HB2' ' O ' ' A' ' 1' ' ' GLY . 2.4 t80 -45.4 -50.68 12.18 Favored 'General case' 0 C--N 1.346 0.416 0 CA-C-N 113.16 -1.836 . . . . 0.0 110.123 -179.295 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.507 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 89.0 mt -51.17 -57.98 7.35 Favored 'General case' 0 C--N 1.343 0.304 0 CA-C-N 112.958 -1.928 . . . . 0.0 110.367 -179.562 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 51.4 m170 -45.91 -42.81 13.22 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-N 112.957 -1.928 . . . . 0.0 110.333 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 11' ' ' LYS . 36.5 t -64.66 -40.72 95.92 Favored 'General case' 0 C--N 1.344 0.345 0 CA-C-N 113.193 -1.822 . . . . 0.0 110.342 -179.572 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.507 ' HB3' ' O ' ' A' ' 6' ' ' LEU . . . -46.21 -43.84 15.66 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 113.34 -1.754 . . . . 0.0 109.698 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -47.2 -43.55 21.57 Favored 'General case' 0 C--N 1.345 0.391 0 CA-C-N 113.153 -1.84 . . . . 0.0 109.872 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 8' ' ' SER . 23.3 ttmt -60.5 -48.09 83.3 Favored 'General case' 0 C--N 1.344 0.358 0 CA-C-N 113.161 -1.836 . . . . 0.0 109.581 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -51.71 -42.36 62.17 Favored 'General case' 0 C--N 1.345 0.407 0 CA-C-N 112.916 -1.947 . . . . 0.0 109.921 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.416 ' O ' ' HB3' ' A' ' 16' ' ' PHE . . . -47.73 -40.57 18.33 Favored Glycine 0 C--N 1.345 1.037 0 CA-C-N 113.113 -1.858 . . . . 0.0 112.055 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -62.41 -60.86 2.95 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 113.119 -1.54 . . . . 0.0 109.843 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.2 -31.54 20.72 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 112.821 -1.99 . . . . 0.0 110.529 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.416 ' HB3' ' O ' ' A' ' 13' ' ' GLY . 11.8 t80 -57.75 -43.33 85.36 Favored 'General case' 0 C--N 1.349 0.555 0 CA-C-N 113.591 -1.64 . . . . 0.0 109.783 -179.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 13' ' ' GLY . 54.0 t -59.73 -45.78 94.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 CA-C-N 113.065 -1.88 . . . . 0.0 109.561 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.59 -32.13 77.24 Favored Glycine 0 C--N 1.345 1.048 0 CA-C-N 112.862 -1.972 . . . . 0.0 112.288 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -67.68 -37.3 82.13 Favored 'General case' 0 C--N 1.345 0.409 0 CA-C-N 113.361 -1.419 . . . . 0.0 110.123 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.413 HG12 ' O ' ' A' ' 16' ' ' PHE . 44.9 mm -68.19 -43.7 84.69 Favored 'Isoleucine or valine' 0 C--N 1.347 0.477 0 CA-C-N 113.588 -1.642 . . . . 0.0 109.679 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.345 0.408 0 CA-C-N 113.092 -1.867 . . . . 0.0 109.814 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . 0.427 ' C ' ' H ' ' A' ' 3' ' ' GLY . . . . . . . . 0 CA--C 1.528 0.875 0 CA-C-O 121.861 0.701 . . . . 0.0 113.282 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.432 ' O ' HG13 ' A' ' 2' ' ' ILE . 11.2 tp -82.28 32.35 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 CA-C-N 113.159 -1.52 . . . . 0.0 110.42 -179.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.427 ' H ' ' C ' ' A' ' 1' ' ' GLY . . . -126.91 -47.32 0.19 Allowed Glycine 0 C--N 1.351 1.404 0 C-N-CA 118.556 -1.783 . . . . 0.0 111.102 179.189 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.68 ' CD ' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -76.2 -38.67 56.21 Favored 'General case' 0 C--N 1.343 0.325 0 CA-C-N 112.64 -1.78 . . . . 0.0 109.382 179.226 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -47.38 -70.97 0.08 Allowed 'General case' 0 C--N 1.349 0.567 0 CA-C-N 113.028 -1.896 . . . . 0.0 109.752 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.4 mt -47.65 -47.67 29.18 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 112.766 -2.015 . . . . 0.0 110.028 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.414 ' HB2' ' O ' ' A' ' 3' ' ' GLY . 35.0 t60 -49.87 -40.44 42.64 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 112.76 -2.018 . . . . 0.0 110.373 -179.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.1 m -69.88 -57.43 5.07 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 113.077 -1.874 . . . . 0.0 110.135 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -41.58 -35.88 0.82 Allowed 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 112.702 -2.045 . . . . 0.0 110.523 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.536 ' NZ ' ' CB ' ' A' ' 10' ' ' LYS . 2.3 ttmp? -80.88 -48.26 12.62 Favored 'General case' 0 C--N 1.345 0.381 0 CA-C-N 113.28 -1.782 . . . . 0.0 110.311 -179.266 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.8 tttm -56.72 -65.48 0.61 Allowed 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 113.198 -1.819 . . . . 0.0 109.465 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -52.49 -39.11 60.85 Favored 'General case' 0 C--N 1.345 0.379 0 CA-C-N 112.979 -1.919 . . . . 0.0 110.121 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.5 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -63.73 -31.42 80.73 Favored Glycine 0 CA--C 1.531 1.081 0 CA-C-N 113.23 -1.805 . . . . 0.0 112.468 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.2 tptt -66.55 -45.78 78.26 Favored 'General case' 0 C--N 1.346 0.447 0 CA-C-N 113.45 -1.375 . . . . 0.0 109.902 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.47 -32.49 71.45 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 113.066 -1.879 . . . . 0.0 110.315 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -63.93 -59.11 4.92 Favored 'General case' 0 C--N 1.348 0.506 0 CA-C-N 113.597 -1.638 . . . . 0.0 109.275 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 13' ' ' GLY . 59.5 t -51.85 -41.55 30.53 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 CA-C-N 112.554 -2.112 . . . . 0.0 109.829 179.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -49.04 -39.07 25.79 Favored Glycine 0 C--N 1.346 1.088 0 CA-C-N 113.051 -1.886 . . . . 0.0 112.004 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -67.74 -38.43 83.5 Favored 'General case' 0 C--N 1.346 0.431 0 CA-C-N 113.219 -1.491 . . . . 0.0 110.16 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' A' ' 21' ' ' MET . 1.6 mp -60.6 -43.7 95.23 Favored 'Isoleucine or valine' 0 C--N 1.346 0.428 0 CA-C-N 113.584 -1.644 . . . . 0.0 109.715 -179.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.569 ' SD ' ' C ' ' A' ' 21' ' ' MET . 0.1 OUTLIER . . . . . 0 C--N 1.346 0.434 0 CA-C-N 113.35 -1.75 . . . . 0.0 109.685 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.795 0 CA-C-O 121.886 0.714 . . . . 0.0 112.924 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.477 HG23 ' N ' ' A' ' 3' ' ' GLY . 6.7 tp -73.55 -42.9 55.77 Favored 'Isoleucine or valine' 0 C--N 1.345 0.404 0 CA-C-N 113.034 -1.583 . . . . 0.0 109.706 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.477 ' N ' HG23 ' A' ' 2' ' ' ILE . . . -78.08 -49.05 7.18 Favored Glycine 0 C--N 1.344 1.008 0 CA-C-N 113.268 -1.787 . . . . 0.0 111.817 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.436 ' O ' ' HB3' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -47.75 -40.81 21.63 Favored 'General case' 0 C--N 1.346 0.42 0 CA-C-N 113.046 -1.577 . . . . 0.0 109.966 -179.757 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -45.87 -57.45 4.33 Favored 'General case' 0 C--N 1.347 0.471 0 CA-C-N 113.514 -1.675 . . . . 0.0 109.604 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.423 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 80.4 mt -43.16 -55.61 3.83 Favored 'General case' 0 C--N 1.342 0.251 0 CA-C-N 113.034 -1.894 . . . . 0.0 110.103 -179.615 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.436 ' HB3' ' O ' ' A' ' 4' ' ' LYS . 49.6 t-80 -43.41 -45.92 6.43 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 112.91 -1.95 . . . . 0.0 110.159 -179.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 42.0 m -70.43 -36.92 74.26 Favored 'General case' 0 C--N 1.342 0.269 0 CA-C-N 112.93 -1.941 . . . . 0.0 110.827 -179.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 6' ' ' LEU . . . -52.08 -37.05 52.68 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 113.444 -1.707 . . . . 0.0 110.384 -179.518 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -65.45 -64.38 0.88 Allowed 'General case' 0 C--N 1.346 0.42 0 CA-C-N 113.465 -1.698 . . . . 0.0 109.825 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -45.84 -64.72 0.67 Allowed 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 112.899 -1.955 . . . . 0.0 109.738 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.414 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 0.5 OUTLIER -49.94 -45.29 51.04 Favored 'General case' 0 C--N 1.345 0.391 0 CA-C-N 112.991 -1.913 . . . . 0.0 109.66 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.415 ' O ' ' HB2' ' A' ' 16' ' ' PHE . . . -43.26 -52.65 5.98 Favored Glycine 0 C--N 1.343 0.942 0 CA-C-N 112.912 -1.949 . . . . 0.0 112.054 -179.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.415 ' HD3' ' O ' ' A' ' 14' ' ' LYS . 5.9 tmtt? -53.45 -44.56 68.98 Favored 'General case' 0 C--N 1.344 0.363 0 CA-C-N 113.087 -1.557 . . . . 0.0 109.666 -179.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -60.8 -37.17 81.02 Favored 'General case' 0 C--N 1.344 0.335 0 CA-C-N 112.797 -2.002 . . . . 0.0 110.38 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.427 ' O ' HG12 ' A' ' 20' ' ' ILE . 0.3 OUTLIER -54.71 -49.98 69.42 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 113.421 -1.718 . . . . 0.0 109.327 -179.721 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 42.0 t -56.47 -45.41 81.92 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-N 112.602 -2.09 . . . . 0.0 109.868 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.08 -35.56 70.09 Favored Glycine 0 C--N 1.343 0.955 0 CA-C-N 112.974 -1.921 . . . . 0.0 112.279 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -74.46 -42.45 59.06 Favored 'General case' 0 C--N 1.345 0.412 0 CA-C-N 113.283 -1.459 . . . . 0.0 110.09 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.427 HG12 ' O ' ' A' ' 16' ' ' PHE . 18.6 mm -48.75 -49.23 14.91 Favored 'Isoleucine or valine' 0 C--N 1.345 0.411 0 CA-C-N 113.487 -1.688 . . . . 0.0 109.605 -179.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.345 0.387 0 CA-C-N 113.126 -1.852 . . . . 0.0 110.152 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.716 0 CA-C-O 121.959 0.755 . . . . 0.0 112.895 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.498 HG23 ' N ' ' A' ' 3' ' ' GLY . 0.9 OUTLIER -79.49 -43.32 23.46 Favored 'Isoleucine or valine' 0 C--N 1.345 0.404 0 CA-C-N 112.891 -1.655 . . . . 0.0 109.724 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.498 ' N ' HG23 ' A' ' 2' ' ' ILE . . . -71.7 -35.44 62.3 Favored Glycine 0 C--N 1.345 1.068 0 CA-C-N 113.091 -1.868 . . . . 0.0 111.895 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.426 ' O ' ' HB3' ' A' ' 7' ' ' HIS . 14.7 tttt -59.02 -53.83 54.02 Favored 'General case' 0 C--N 1.348 0.521 0 CA-C-N 113.22 -1.49 . . . . 0.0 109.418 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.406 ' O ' ' N ' ' A' ' 8' ' ' SER . 0.7 OUTLIER -51.78 -62.93 1.32 Allowed 'General case' 0 C--N 1.345 0.383 0 CA-C-N 112.971 -1.922 . . . . 0.0 109.689 -179.899 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 80.1 mt -42.56 -38.47 1.98 Allowed 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 112.879 -1.964 . . . . 0.0 110.531 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.426 ' HB3' ' O ' ' A' ' 4' ' ' LYS . 71.9 t60 -66.22 -48.5 70.35 Favored 'General case' 0 C--N 1.345 0.411 0 CA-C-N 113.572 -1.649 . . . . 0.0 110.173 -179.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 5' ' ' PHE . 84.5 p -55.43 -50.7 69.11 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 112.942 -1.936 . . . . 0.0 110.063 -179.378 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.9 -41.9 58.9 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 113.055 -1.884 . . . . 0.0 110.379 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.0 mtpt -66.61 -42.56 86.66 Favored 'General case' 0 C--N 1.345 0.379 0 CA-C-N 113.285 -1.78 . . . . 0.0 110.558 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -60.64 -37.46 81.59 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 113.209 -1.814 . . . . 0.0 110.163 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -72.47 -42.61 64.75 Favored 'General case' 0 C--N 1.346 0.425 0 CA-C-N 113.46 -1.7 . . . . 0.0 109.937 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.414 ' O ' ' HB3' ' A' ' 16' ' ' PHE . . . -58.27 -42.22 95.36 Favored Glycine 0 C--N 1.342 0.891 0 C-N-CA 118.445 -1.836 . . . . 0.0 111.319 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.415 ' HA ' ' HD3' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -58.43 -52.62 64.88 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 112.931 -1.634 . . . . 0.0 109.455 179.909 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.83 -27.8 68.34 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 112.679 -2.055 . . . . 0.0 110.62 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.423 ' O ' ' HB3' ' A' ' 19' ' ' GLU . 10.7 t80 -61.56 -49.28 77.31 Favored 'General case' 0 C--N 1.347 0.498 0 CA-C-N 113.762 -1.563 . . . . 0.0 109.576 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 69.2 t -59.23 -44.44 92.01 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-N 112.717 -2.038 . . . . 0.0 109.81 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -56.86 -25.81 53.29 Favored Glycine 0 CA--C 1.532 1.123 0 CA-C-N 112.994 -1.912 . . . . 0.0 112.281 179.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.423 ' HB3' ' O ' ' A' ' 16' ' ' PHE . 34.8 tt0 -68.44 -46.98 68.39 Favored 'General case' 0 C--N 1.35 0.607 0 CA-C-N 113.478 -1.361 . . . . 0.0 109.345 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.7 mp -51.44 -51.85 22.89 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 CA-C-N 112.823 -1.99 . . . . 0.0 109.072 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.345 0.382 0 CA-C-N 112.745 -2.025 . . . . 0.0 109.67 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.735 0 CA-C-O 121.949 0.749 . . . . 0.0 112.831 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.439 HG23 ' N ' ' A' ' 3' ' ' GLY . 16.1 tt -86.53 -40.68 14.41 Favored 'Isoleucine or valine' 0 C--N 1.347 0.457 0 CA-C-N 112.882 -1.659 . . . . 0.0 109.863 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.439 ' N ' HG23 ' A' ' 2' ' ' ILE . . . -53.13 -37.42 54.35 Favored Glycine 0 C--N 1.346 1.133 0 C-N-CA 118.367 -1.873 . . . . 0.0 111.679 179.663 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 36.3 tttp -78.35 -42.53 30.22 Favored 'General case' 0 C--N 1.346 0.452 0 CA-C-N 113.074 -1.563 . . . . 0.0 109.857 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -49.88 -51.29 41.58 Favored 'General case' 0 C--N 1.346 0.421 0 CA-C-N 112.941 -1.936 . . . . 0.0 110.169 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.46 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 86.0 mt -55.07 -39.02 68.81 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 112.907 -1.952 . . . . 0.0 110.321 -179.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 16.7 t60 -54.97 -54.76 38.69 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 113.376 -1.738 . . . . 0.0 110.193 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.419 ' O ' ' N ' ' A' ' 11' ' ' LYS . 45.8 t -60.72 -43.07 98.3 Favored 'General case' 0 C--N 1.343 0.321 0 CA-C-N 112.985 -1.916 . . . . 0.0 110.081 -179.477 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.46 ' HB3' ' O ' ' A' ' 6' ' ' LEU . . . -43.83 -38.85 3.5 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 113.112 -1.858 . . . . 0.0 110.194 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.69 -46.52 82.05 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 113.326 -1.761 . . . . 0.0 109.99 -179.526 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 8' ' ' SER . 17.6 mmtp -51.44 -48.37 62.75 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 113.085 -1.87 . . . . 0.0 109.817 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -62.63 -44.38 96.42 Favored 'General case' 0 C--N 1.345 0.381 0 CA-C-N 113.055 -1.884 . . . . 0.0 109.844 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.13 -46.57 15.49 Favored Glycine 0 C--N 1.343 0.954 0 CA-C-N 113.0 -1.909 . . . . 0.0 111.646 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -67.41 -45.43 76.19 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 112.978 -1.611 . . . . 0.0 109.71 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.42 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -47.55 -32.59 5.53 Favored 'General case' 0 CA--C 1.535 0.365 0 CA-C-N 112.934 -1.939 . . . . 0.0 110.524 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -71.07 -48.01 55.06 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-N 113.837 -1.529 . . . . 0.0 110.132 -179.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 64.9 t -57.89 -39.71 72.8 Favored 'Isoleucine or valine' 0 C--N 1.342 0.274 0 CA-C-N 113.088 -1.869 . . . . 0.0 110.426 -179.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.54 -41.58 89.93 Favored Glycine 0 C--N 1.344 1.02 0 CA-C-N 113.171 -1.831 . . . . 0.0 112.136 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 70.6 mt-10 -66.04 -37.78 86.73 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 113.17 -1.515 . . . . 0.0 110.176 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.2 mm -67.62 -48.25 77.19 Favored 'Isoleucine or valine' 0 C--N 1.347 0.487 0 CA-C-N 113.444 -1.707 . . . . 0.0 109.769 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 21.2 mtt . . . . . 0 C--N 1.346 0.418 0 CA-C-N 113.048 -1.887 . . . . 0.0 110.644 -179.697 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.774 0 CA-C-O 121.824 0.68 . . . . 0.0 112.84 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.46 HG23 ' N ' ' A' ' 3' ' ' GLY . 13.9 tt -79.19 -43.25 24.03 Favored 'Isoleucine or valine' 0 C--N 1.345 0.379 0 CA-C-N 113.134 -1.533 . . . . 0.0 109.734 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.46 ' N ' HG23 ' A' ' 2' ' ' ILE . . . -59.54 -37.06 91.62 Favored Glycine 0 C--N 1.345 1.04 0 C-N-CA 118.576 -1.773 . . . . 0.0 112.09 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 7' ' ' HIS . 1.5 tmtp? -64.59 -48.12 76.13 Favored 'General case' 0 C--N 1.345 0.398 0 CA-C-N 113.182 -1.509 . . . . 0.0 109.669 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -44.11 -47.81 8.98 Favored 'General case' 0 C--N 1.344 0.329 0 CA-C-N 112.973 -1.921 . . . . 0.0 109.797 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.405 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 76.0 mt -62.51 -43.44 98.82 Favored 'General case' 0 C--N 1.343 0.313 0 CA-C-N 112.933 -1.939 . . . . 0.0 109.727 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.409 ' N ' ' O ' ' A' ' 4' ' ' LYS . 1.1 t60 -47.48 -43.65 24.62 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 112.881 -1.963 . . . . 0.0 109.884 -179.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.5 m -73.77 -35.11 64.94 Favored 'General case' 0 C--N 1.345 0.389 0 CA-C-N 113.142 -1.845 . . . . 0.0 110.377 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 6' ' ' LEU . . . -52.85 -54.43 34.53 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 113.446 -1.707 . . . . 0.0 109.751 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.3 ttmt -63.32 -46.45 86.58 Favored 'General case' 0 C--N 1.345 0.382 0 CA-C-N 113.049 -1.887 . . . . 0.0 109.876 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.8 ttmm -44.95 -69.37 0.14 Allowed 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 113.04 -1.891 . . . . 0.0 109.582 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -49.88 -51.18 42.46 Favored 'General case' 0 C--N 1.345 0.384 0 CA-C-N 113.061 -1.882 . . . . 0.0 109.741 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.418 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -44.83 -37.31 5.26 Favored Glycine 0 C--N 1.342 0.889 0 CA-C-N 112.879 -1.964 . . . . 0.0 112.022 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -75.11 -46.1 36.77 Favored 'General case' 0 C--N 1.344 0.364 0 CA-C-N 113.143 -1.528 . . . . 0.0 109.761 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.97 -35.85 11.56 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 112.815 -1.993 . . . . 0.0 110.036 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.432 ' O ' HG12 ' A' ' 20' ' ' ILE . 3.2 m-85 -65.54 -63.73 1.03 Allowed 'General case' 0 C--N 1.347 0.473 0 CA-C-N 113.447 -1.706 . . . . 0.0 109.4 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 13' ' ' GLY . 46.4 t -45.46 -31.91 1.08 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 CA-C-N 112.802 -1.999 . . . . 0.0 110.36 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -66.37 -37.97 93.23 Favored Glycine 0 C--N 1.349 1.255 0 C-N-CA 118.753 -1.689 . . . . 0.0 112.526 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 16' ' ' PHE . 76.0 mm-40 -110.82 23.81 13.72 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 113.467 -1.366 . . . . 0.0 111.266 -179.508 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.432 HG12 ' O ' ' A' ' 16' ' ' PHE . 13.2 mm -113.84 -38.86 2.87 Favored 'Isoleucine or valine' 0 C--N 1.347 0.479 0 CA-C-N 114.051 -1.431 . . . . 0.0 109.415 179.122 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.348 0.52 0 CA-C-N 113.182 -1.826 . . . . 0.0 110.09 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . 0.459 ' C ' ' H ' ' A' ' 3' ' ' GLY . . . . . . . . 0 CA--C 1.526 0.771 0 CA-C-O 121.922 0.735 . . . . 0.0 112.912 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.421 ' O ' HG13 ' A' ' 2' ' ' ILE . 4.4 tp -80.33 28.71 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 CA-C-N 112.938 -1.631 . . . . 0.0 110.387 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.459 ' H ' ' C ' ' A' ' 1' ' ' GLY . . . -145.83 -44.76 0.04 OUTLIER Glycine 0 C--N 1.35 1.326 0 C-N-CA 118.523 -1.799 . . . . 0.0 111.389 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.58 -42.85 67.28 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 112.806 -1.697 . . . . 0.0 109.654 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -46.88 -50.1 19.2 Favored 'General case' 0 C--N 1.346 0.432 0 CA-C-N 113.139 -1.846 . . . . 0.0 109.736 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.92 -42.38 94.76 Favored 'General case' 0 C--N 1.343 0.311 0 CA-C-N 112.937 -1.938 . . . . 0.0 109.545 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 22.4 t-80 -46.89 -41.45 15.9 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 113.07 -1.877 . . . . 0.0 109.843 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 87.2 p -76.58 -46.89 24.34 Favored 'General case' 0 C--N 1.347 0.457 0 CA-C-N 113.136 -1.847 . . . . 0.0 109.791 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -43.43 -41.26 4.16 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 112.849 -1.978 . . . . 0.0 110.045 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.23 -50.16 71.33 Favored 'General case' 0 C--N 1.345 0.387 0 CA-C-N 113.176 -1.829 . . . . 0.0 110.033 -179.444 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 14' ' ' LYS . 37.9 tttm -52.12 -58.76 5.61 Favored 'General case' 0 C--N 1.343 0.325 0 CA-C-N 113.189 -1.823 . . . . 0.0 109.656 -179.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.453 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 45.6 t80 -43.01 -43.71 4.36 Favored 'General case' 0 C--N 1.346 0.447 0 CA-C-N 113.136 -1.847 . . . . 0.0 109.813 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -55.39 -46.53 79.93 Favored Glycine 0 C--N 1.345 1.048 0 CA-C-N 112.966 -1.925 . . . . 0.0 111.751 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 17' ' ' VAL . 11.5 tmtt? -60.33 -46.23 90.64 Favored 'General case' 0 C--N 1.345 0.392 0 CA-C-N 113.115 -1.543 . . . . 0.0 109.637 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -44.35 -42.61 6.94 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 112.897 -1.956 . . . . 0.0 109.843 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -61.43 -46.57 89.54 Favored 'General case' 0 C--N 1.346 0.447 0 CA-C-N 113.074 -1.876 . . . . 0.0 109.652 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' A' ' 14' ' ' LYS . 73.6 t -49.92 -45.47 22.32 Favored 'Isoleucine or valine' 0 C--N 1.344 0.366 0 CA-C-N 112.999 -1.909 . . . . 0.0 109.77 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -54.42 -44.06 76.87 Favored Glycine 0 C--N 1.343 0.961 0 CA-C-N 112.95 -1.932 . . . . 0.0 111.961 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -62.31 -41.75 98.78 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 113.116 -1.542 . . . . 0.0 109.374 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.42 ' HB ' ' O ' ' A' ' 17' ' ' VAL . 10.6 mm -56.45 -49.6 76.45 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 CA-C-N 113.196 -1.82 . . . . 0.0 108.877 179.569 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 19.1 ttt . . . . . 0 CA--C 1.54 0.591 0 CA-C-N 112.985 -1.916 . . . . 0.0 110.565 179.304 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.54 ' C ' ' H ' ' A' ' 3' ' ' GLY . . . . . . . . 0 CA--C 1.526 0.762 0 CA-C-O 121.833 0.685 . . . . 0.0 112.88 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.571 ' C ' HD13 ' A' ' 6' ' ' LEU . 15.7 tt -76.69 26.44 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 CA-C-N 113.084 -1.558 . . . . 0.0 110.561 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.54 ' H ' ' C ' ' A' ' 1' ' ' GLY . . . -123.72 -47.11 0.25 Allowed Glycine 0 C--N 1.35 1.355 0 C-N-CA 118.68 -1.724 . . . . 0.0 111.16 179.537 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.482 ' CG ' ' N ' ' A' ' 5' ' ' PHE . 18.9 pttp -68.48 -43.44 76.92 Favored 'General case' 0 C--N 1.346 0.414 0 CA-C-N 112.853 -1.674 . . . . 0.0 109.648 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.482 ' N ' ' CG ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -52.83 -47.25 67.83 Favored 'General case' 0 C--N 1.348 0.517 0 CA-C-N 113.119 -1.855 . . . . 0.0 109.498 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.67 ' N ' HD12 ' A' ' 6' ' ' LEU . 5.9 mp -60.27 -41.07 92.53 Favored 'General case' 0 C--N 1.343 0.313 0 CA-C-N 112.814 -1.994 . . . . 0.0 109.904 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 -56.39 -45.72 80.48 Favored 'General case' 0 C--N 1.346 0.426 0 CA-C-N 113.149 -1.841 . . . . 0.0 109.842 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.406 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 48.2 t -62.64 -46.3 88.88 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 112.985 -1.916 . . . . 0.0 109.785 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 6' ' ' LEU . . . -43.86 -43.49 6.35 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 112.943 -1.935 . . . . 0.0 109.801 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 11' ' ' LYS . 34.4 ttmt -63.61 -70.35 0.22 Allowed 'General case' 0 C--N 1.345 0.404 0 CA-C-N 112.971 -1.922 . . . . 0.0 109.704 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 10' ' ' LYS . 9.6 mttp -41.26 -69.54 0.13 Allowed 'General case' 0 C--N 1.343 0.311 0 CA-C-N 113.025 -1.898 . . . . 0.0 109.742 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.409 ' C ' ' O ' ' A' ' 11' ' ' LYS . 0.2 OUTLIER -42.48 -40.55 2.64 Favored 'General case' 0 C--N 1.345 0.38 0 CA-C-N 113.097 -1.865 . . . . 0.0 109.681 179.85 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.429 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -55.69 -51.72 53.14 Favored Glycine 0 C--N 1.346 1.108 0 CA-C-N 113.151 -1.84 . . . . 0.0 111.61 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -53.75 -48.28 69.84 Favored 'General case' 0 C--N 1.346 0.433 0 CA-C-N 112.972 -1.614 . . . . 0.0 109.505 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.36 -36.58 63.99 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 112.811 -1.995 . . . . 0.0 109.955 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -67.38 -45.2 76.94 Favored 'General case' 0 C--N 1.347 0.481 0 CA-C-N 113.35 -1.75 . . . . 0.0 109.714 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 13' ' ' GLY . 86.8 t -55.08 -41.97 62.38 Favored 'Isoleucine or valine' 0 C--N 1.345 0.394 0 CA-C-N 112.952 -1.931 . . . . 0.0 109.798 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.62 -31.51 81.01 Favored Glycine 0 C--N 1.344 1.007 0 CA-C-N 113.142 -1.845 . . . . 0.0 112.311 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -67.72 -43.6 79.64 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-N 113.47 -1.365 . . . . 0.0 109.759 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 33.6 mm -66.35 -46.17 87.65 Favored 'Isoleucine or valine' 0 C--N 1.346 0.441 0 CA-C-N 113.135 -1.848 . . . . 0.0 109.562 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.4 ttt -55.3 -45.18 76.25 Favored 'General case' 0 C--N 1.344 0.337 0 CA-C-N 113.039 -1.892 . . . . 0.0 109.56 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -129.89 101.66 5.96 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 112.929 -1.941 . . . . 0.0 109.426 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 53.7 m -94.71 115.68 27.82 Favored 'General case' 0 C--N 1.345 0.386 0 CA-C-N 112.894 -1.957 . . . . 0.0 109.536 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.402 0 CA-C-N 113.083 -1.872 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.686 0 CA-C-O 122.012 0.785 . . . . 0.0 112.968 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.476 HG23 ' N ' ' A' ' 3' ' ' GLY . 18.6 tt -71.96 -41.66 68.7 Favored 'Isoleucine or valine' 0 C--N 1.346 0.439 0 CA-C-N 112.864 -1.668 . . . . 0.0 109.716 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.476 ' N ' HG23 ' A' ' 2' ' ' ILE . . . -69.48 -41.06 78.27 Favored Glycine 0 C--N 1.346 1.086 0 CA-C-N 113.35 -1.75 . . . . 0.0 111.663 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -52.41 -42.72 64.31 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 112.988 -1.606 . . . . 0.0 109.772 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -54.92 -34.86 63.57 Favored 'General case' 0 C--N 1.346 0.447 0 CA-C-N 113.001 -1.909 . . . . 0.0 110.458 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.516 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 64.9 mt -59.43 -43.51 93.07 Favored 'General case' 0 C--N 1.347 0.457 0 CA-C-N 113.609 -1.632 . . . . 0.0 110.215 -179.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 64.0 t-80 -59.39 -45.3 91.84 Favored 'General case' 0 C--N 1.342 0.265 0 CA-C-N 113.178 -1.828 . . . . 0.0 109.961 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 61.0 p -66.21 -33.24 75.32 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 113.086 -1.87 . . . . 0.0 110.66 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 6' ' ' LEU . . . -46.19 -41.73 13.1 Favored 'General case' 0 C--N 1.344 0.354 0 CA-C-N 113.658 -1.61 . . . . 0.0 110.12 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.9 mtmt -72.91 -37.49 67.22 Favored 'General case' 0 C--N 1.345 0.388 0 CA-C-N 113.305 -1.77 . . . . 0.0 110.432 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.69 -57.85 10.28 Favored 'General case' 0 C--N 1.346 0.429 0 CA-C-N 113.61 -1.632 . . . . 0.0 109.727 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -50.6 -54.32 23.65 Favored 'General case' 0 C--N 1.345 0.377 0 CA-C-N 112.848 -1.978 . . . . 0.0 109.925 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.409 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -48.22 -48.36 26.5 Favored Glycine 0 C--N 1.342 0.911 0 CA-C-N 112.775 -2.011 . . . . 0.0 112.173 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.6 tmtm? -48.28 -42.81 31.77 Favored 'General case' 0 C--N 1.344 0.355 0 CA-C-N 113.192 -1.504 . . . . 0.0 109.816 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.79 -38.37 83.27 Favored 'General case' 0 C--N 1.345 0.402 0 CA-C-N 112.953 -1.93 . . . . 0.0 110.234 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -56.04 -42.93 77.31 Favored 'General case' 0 C--N 1.346 0.427 0 CA-C-N 113.363 -1.744 . . . . 0.0 109.625 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 13' ' ' GLY . 46.5 t -63.4 -47.32 92.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 CA-C-N 112.924 -1.944 . . . . 0.0 109.58 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -55.26 -32.02 57.0 Favored Glycine 0 C--N 1.344 0.972 0 CA-C-N 112.656 -2.065 . . . . 0.0 112.506 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -67.47 -40.68 85.34 Favored 'General case' 0 C--N 1.346 0.431 0 CA-C-N 113.506 -1.347 . . . . 0.0 109.868 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 45.0 mm -59.69 -59.07 4.49 Favored 'Isoleucine or valine' 0 C--N 1.345 0.412 0 CA-C-N 113.389 -1.732 . . . . 0.0 109.545 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.472 ' SD ' ' C ' ' A' ' 21' ' ' MET . 0.0 OUTLIER -42.64 -42.08 3.32 Favored 'General case' 0 C--N 1.346 0.455 0 CA-C-N 113.073 -1.876 . . . . 0.0 109.727 179.832 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 26.1 t30 -72.2 -87.53 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 112.959 -1.928 . . . . 0.0 109.447 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.8 m -102.25 165.37 11.17 Favored 'General case' 0 C--N 1.346 0.45 0 CA-C-N 113.182 -1.826 . . . . 0.0 109.382 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.39 0 CA-C-N 112.914 -1.948 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.552 ' C ' ' H ' ' A' ' 3' ' ' GLY . . . . . . . . 0 CA--C 1.525 0.714 0 CA-C-O 121.916 0.731 . . . . 0.0 112.939 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -75.92 27.79 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 CA-C-N 112.934 -1.633 . . . . 0.0 110.431 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.552 ' H ' ' C ' ' A' ' 1' ' ' GLY . . . -137.86 -44.21 0.08 OUTLIER Glycine 0 C--N 1.351 1.368 0 C-N-CA 118.655 -1.736 . . . . 0.0 111.461 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.0 ttmm -66.93 -43.55 82.98 Favored 'General case' 0 C--N 1.345 0.403 0 CA-C-N 112.905 -1.648 . . . . 0.0 109.707 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -44.45 -65.33 0.53 Allowed 'General case' 0 C--N 1.347 0.488 0 CA-C-N 113.09 -1.868 . . . . 0.0 109.556 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.63 ' N ' HD12 ' A' ' 6' ' ' LEU . 6.8 mp -49.28 -46.13 45.94 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 112.727 -2.033 . . . . 0.0 109.682 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -48.11 -40.42 23.41 Favored 'General case' 0 C--N 1.343 0.313 0 CA-C-N 112.849 -1.978 . . . . 0.0 110.111 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.3 t -74.12 -31.37 62.73 Favored 'General case' 0 C--N 1.345 0.379 0 CA-C-N 113.119 -1.855 . . . . 0.0 110.751 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 6' ' ' LEU . . . -48.95 -47.24 44.04 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 113.726 -1.579 . . . . 0.0 109.946 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -63.19 -57.57 10.08 Favored 'General case' 0 C--N 1.345 0.396 0 CA-C-N 113.194 -1.821 . . . . 0.0 109.896 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -46.25 -33.65 3.86 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 112.833 -1.985 . . . . 0.0 110.489 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -67.61 -47.61 69.2 Favored 'General case' 0 C--N 1.348 0.505 0 CA-C-N 113.736 -1.575 . . . . 0.0 109.625 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.95 -39.17 32.54 Favored Glycine 0 C--N 1.344 0.979 0 CA-C-N 112.827 -1.988 . . . . 0.0 111.639 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -61.84 -46.35 89.86 Favored 'General case' 0 C--N 1.346 0.416 0 CA-C-N 112.978 -1.611 . . . . 0.0 109.637 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.75 -31.39 69.59 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 112.707 -2.042 . . . . 0.0 110.497 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -60.0 -45.36 93.0 Favored 'General case' 0 C--N 1.347 0.464 0 CA-C-N 113.45 -1.704 . . . . 0.0 109.798 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 95.6 t -56.78 -39.99 67.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-N 112.877 -1.965 . . . . 0.0 109.919 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.03 -36.63 92.6 Favored Glycine 0 C--N 1.345 1.06 0 CA-C-N 113.189 -1.823 . . . . 0.0 112.238 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -66.7 -39.78 88.21 Favored 'General case' 0 C--N 1.346 0.444 0 CA-C-N 113.293 -1.454 . . . . 0.0 110.011 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 13.9 mm -57.28 -46.09 85.09 Favored 'Isoleucine or valine' 0 C--N 1.346 0.456 0 CA-C-N 113.497 -1.683 . . . . 0.0 109.589 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 5.3 ttm -60.44 -49.59 76.96 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 113.119 -1.855 . . . . 0.0 109.518 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -114.19 89.18 3.03 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 112.795 -2.002 . . . . 0.0 109.666 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 70.8 m -111.14 54.36 0.68 Allowed 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 113.023 -1.899 . . . . 0.0 109.422 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.344 0.342 0 CA-C-N 113.038 -1.892 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.416 ' O ' ' HB2' ' A' ' 5' ' ' PHE . . . . . . . . 0 CA--C 1.525 0.703 0 CA-C-O 121.905 0.725 . . . . 0.0 113.002 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.442 HG23 ' N ' ' A' ' 3' ' ' GLY . 5.3 tt -87.35 -47.42 15.85 Favored 'Isoleucine or valine' 0 C--N 1.347 0.461 0 CA-C-N 113.074 -1.563 . . . . 0.0 109.573 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.442 ' N ' HG23 ' A' ' 2' ' ' ILE . . . -57.58 -36.94 80.42 Favored Glycine 0 C--N 1.344 0.975 0 CA-C-N 113.043 -1.889 . . . . 0.0 111.987 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 44.3 tttp -72.06 -52.35 17.3 Favored 'General case' 0 C--N 1.347 0.488 0 CA-C-N 113.089 -1.556 . . . . 0.0 109.806 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.416 ' HB2' ' O ' ' A' ' 1' ' ' GLY . 2.4 t80 -45.4 -50.68 12.18 Favored 'General case' 0 C--N 1.346 0.416 0 CA-C-N 113.16 -1.836 . . . . 0.0 110.123 -179.295 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.507 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 89.0 mt -51.17 -57.98 7.35 Favored 'General case' 0 C--N 1.343 0.304 0 CA-C-N 112.958 -1.928 . . . . 0.0 110.367 -179.562 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 51.4 m170 -45.91 -42.81 13.22 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-N 112.957 -1.928 . . . . 0.0 110.333 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 11' ' ' LYS . 36.5 t -64.66 -40.72 95.92 Favored 'General case' 0 C--N 1.344 0.345 0 CA-C-N 113.193 -1.822 . . . . 0.0 110.342 -179.572 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.507 ' HB3' ' O ' ' A' ' 6' ' ' LEU . . . -46.21 -43.84 15.66 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 113.34 -1.754 . . . . 0.0 109.698 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -47.2 -43.55 21.57 Favored 'General case' 0 C--N 1.345 0.391 0 CA-C-N 113.153 -1.84 . . . . 0.0 109.872 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 8' ' ' SER . 23.3 ttmt -60.5 -48.09 83.3 Favored 'General case' 0 C--N 1.344 0.358 0 CA-C-N 113.161 -1.836 . . . . 0.0 109.581 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -51.71 -42.36 62.17 Favored 'General case' 0 C--N 1.345 0.407 0 CA-C-N 112.916 -1.947 . . . . 0.0 109.921 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.416 ' O ' ' HB3' ' A' ' 16' ' ' PHE . . . -47.73 -40.57 18.33 Favored Glycine 0 C--N 1.345 1.037 0 CA-C-N 113.113 -1.858 . . . . 0.0 112.055 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -62.41 -60.86 2.95 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 113.119 -1.54 . . . . 0.0 109.843 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.2 -31.54 20.72 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 112.821 -1.99 . . . . 0.0 110.529 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.416 ' HB3' ' O ' ' A' ' 13' ' ' GLY . 11.8 t80 -57.75 -43.33 85.36 Favored 'General case' 0 C--N 1.349 0.555 0 CA-C-N 113.591 -1.64 . . . . 0.0 109.783 -179.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 13' ' ' GLY . 54.0 t -59.73 -45.78 94.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 CA-C-N 113.065 -1.88 . . . . 0.0 109.561 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.59 -32.13 77.24 Favored Glycine 0 C--N 1.345 1.048 0 CA-C-N 112.862 -1.972 . . . . 0.0 112.288 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -67.68 -37.3 82.13 Favored 'General case' 0 C--N 1.345 0.409 0 CA-C-N 113.361 -1.419 . . . . 0.0 110.123 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.413 HG12 ' O ' ' A' ' 16' ' ' PHE . 44.9 mm -68.19 -43.7 84.69 Favored 'Isoleucine or valine' 0 C--N 1.347 0.477 0 CA-C-N 113.588 -1.642 . . . . 0.0 109.679 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.75 -43.25 47.86 Favored 'General case' 0 C--N 1.345 0.408 0 CA-C-N 113.092 -1.867 . . . . 0.0 109.814 179.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -118.74 91.74 3.63 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 113.019 -1.9 . . . . 0.0 109.536 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 38.6 m -94.22 -51.01 5.01 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 112.787 -2.006 . . . . 0.0 109.319 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.427 0 CA-C-N 112.989 -1.914 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.427 ' C ' ' H ' ' A' ' 3' ' ' GLY . . . . . . . . 0 CA--C 1.528 0.875 0 CA-C-O 121.861 0.701 . . . . 0.0 113.282 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.432 ' O ' HG13 ' A' ' 2' ' ' ILE . 11.2 tp -82.28 32.35 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 CA-C-N 113.159 -1.52 . . . . 0.0 110.42 -179.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.427 ' H ' ' C ' ' A' ' 1' ' ' GLY . . . -126.91 -47.32 0.19 Allowed Glycine 0 C--N 1.351 1.404 0 C-N-CA 118.556 -1.783 . . . . 0.0 111.102 179.189 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.68 ' CD ' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -76.2 -38.67 56.21 Favored 'General case' 0 C--N 1.343 0.325 0 CA-C-N 112.64 -1.78 . . . . 0.0 109.382 179.226 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -47.38 -70.97 0.08 Allowed 'General case' 0 C--N 1.349 0.567 0 CA-C-N 113.028 -1.896 . . . . 0.0 109.752 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.4 mt -47.65 -47.67 29.18 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 112.766 -2.015 . . . . 0.0 110.028 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.414 ' HB2' ' O ' ' A' ' 3' ' ' GLY . 35.0 t60 -49.87 -40.44 42.64 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 112.76 -2.018 . . . . 0.0 110.373 -179.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.1 m -69.88 -57.43 5.07 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 113.077 -1.874 . . . . 0.0 110.135 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -41.58 -35.88 0.82 Allowed 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 112.702 -2.045 . . . . 0.0 110.523 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.536 ' NZ ' ' CB ' ' A' ' 10' ' ' LYS . 2.3 ttmp? -80.88 -48.26 12.62 Favored 'General case' 0 C--N 1.345 0.381 0 CA-C-N 113.28 -1.782 . . . . 0.0 110.311 -179.266 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.8 tttm -56.72 -65.48 0.61 Allowed 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 113.198 -1.819 . . . . 0.0 109.465 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -52.49 -39.11 60.85 Favored 'General case' 0 C--N 1.345 0.379 0 CA-C-N 112.979 -1.919 . . . . 0.0 110.121 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.5 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -63.73 -31.42 80.73 Favored Glycine 0 CA--C 1.531 1.081 0 CA-C-N 113.23 -1.805 . . . . 0.0 112.468 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.2 tptt -66.55 -45.78 78.26 Favored 'General case' 0 C--N 1.346 0.447 0 CA-C-N 113.45 -1.375 . . . . 0.0 109.902 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.47 -32.49 71.45 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 113.066 -1.879 . . . . 0.0 110.315 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -63.93 -59.11 4.92 Favored 'General case' 0 C--N 1.348 0.506 0 CA-C-N 113.597 -1.638 . . . . 0.0 109.275 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 13' ' ' GLY . 59.5 t -51.85 -41.55 30.53 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 CA-C-N 112.554 -2.112 . . . . 0.0 109.829 179.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -49.04 -39.07 25.79 Favored Glycine 0 C--N 1.346 1.088 0 CA-C-N 113.051 -1.886 . . . . 0.0 112.004 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -67.74 -38.43 83.5 Favored 'General case' 0 C--N 1.346 0.431 0 CA-C-N 113.219 -1.491 . . . . 0.0 110.16 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' A' ' 21' ' ' MET . 1.6 mp -60.6 -43.7 95.23 Favored 'Isoleucine or valine' 0 C--N 1.346 0.428 0 CA-C-N 113.584 -1.644 . . . . 0.0 109.715 -179.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.569 ' SD ' ' C ' ' A' ' 21' ' ' MET . 0.1 OUTLIER -41.39 -46.07 3.25 Favored 'General case' 0 C--N 1.346 0.434 0 CA-C-N 113.35 -1.75 . . . . 0.0 109.685 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.644 HD22 ' C ' ' A' ' 22' ' ' ASN . 0.2 OUTLIER -50.46 -60.0 3.44 Favored 'General case' 0 C--N 1.343 0.32 0 CA-C-N 112.63 -2.077 . . . . 0.0 109.767 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.0 t -109.7 61.44 0.6 Allowed 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 113.168 -1.833 . . . . 0.0 109.566 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.344 0.331 0 CA-C-N 112.985 -1.916 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.795 0 CA-C-O 121.886 0.714 . . . . 0.0 112.924 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.477 HG23 ' N ' ' A' ' 3' ' ' GLY . 6.7 tp -73.55 -42.9 55.77 Favored 'Isoleucine or valine' 0 C--N 1.345 0.404 0 CA-C-N 113.034 -1.583 . . . . 0.0 109.706 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.477 ' N ' HG23 ' A' ' 2' ' ' ILE . . . -78.08 -49.05 7.18 Favored Glycine 0 C--N 1.344 1.008 0 CA-C-N 113.268 -1.787 . . . . 0.0 111.817 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.436 ' O ' ' HB3' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -47.75 -40.81 21.63 Favored 'General case' 0 C--N 1.346 0.42 0 CA-C-N 113.046 -1.577 . . . . 0.0 109.966 -179.757 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -45.87 -57.45 4.33 Favored 'General case' 0 C--N 1.347 0.471 0 CA-C-N 113.514 -1.675 . . . . 0.0 109.604 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.423 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 80.4 mt -43.16 -55.61 3.83 Favored 'General case' 0 C--N 1.342 0.251 0 CA-C-N 113.034 -1.894 . . . . 0.0 110.103 -179.615 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.436 ' HB3' ' O ' ' A' ' 4' ' ' LYS . 49.6 t-80 -43.41 -45.92 6.43 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 112.91 -1.95 . . . . 0.0 110.159 -179.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 42.0 m -70.43 -36.92 74.26 Favored 'General case' 0 C--N 1.342 0.269 0 CA-C-N 112.93 -1.941 . . . . 0.0 110.827 -179.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 6' ' ' LEU . . . -52.08 -37.05 52.68 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 113.444 -1.707 . . . . 0.0 110.384 -179.518 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -65.45 -64.38 0.88 Allowed 'General case' 0 C--N 1.346 0.42 0 CA-C-N 113.465 -1.698 . . . . 0.0 109.825 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -45.84 -64.72 0.67 Allowed 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 112.899 -1.955 . . . . 0.0 109.738 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.414 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 0.5 OUTLIER -49.94 -45.29 51.04 Favored 'General case' 0 C--N 1.345 0.391 0 CA-C-N 112.991 -1.913 . . . . 0.0 109.66 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.415 ' O ' ' HB2' ' A' ' 16' ' ' PHE . . . -43.26 -52.65 5.98 Favored Glycine 0 C--N 1.343 0.942 0 CA-C-N 112.912 -1.949 . . . . 0.0 112.054 -179.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.415 ' HD3' ' O ' ' A' ' 14' ' ' LYS . 5.9 tmtt? -53.45 -44.56 68.98 Favored 'General case' 0 C--N 1.344 0.363 0 CA-C-N 113.087 -1.557 . . . . 0.0 109.666 -179.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -60.8 -37.17 81.02 Favored 'General case' 0 C--N 1.344 0.335 0 CA-C-N 112.797 -2.002 . . . . 0.0 110.38 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.427 ' O ' HG12 ' A' ' 20' ' ' ILE . 0.3 OUTLIER -54.71 -49.98 69.42 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 113.421 -1.718 . . . . 0.0 109.327 -179.721 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 42.0 t -56.47 -45.41 81.92 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-N 112.602 -2.09 . . . . 0.0 109.868 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.08 -35.56 70.09 Favored Glycine 0 C--N 1.343 0.955 0 CA-C-N 112.974 -1.921 . . . . 0.0 112.279 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.47 ' O ' ' CB ' ' A' ' 22' ' ' ASN . 52.3 mt-10 -74.46 -42.45 59.06 Favored 'General case' 0 C--N 1.345 0.412 0 CA-C-N 113.283 -1.459 . . . . 0.0 110.09 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.427 HG12 ' O ' ' A' ' 16' ' ' PHE . 18.6 mm -48.75 -49.23 14.91 Favored 'Isoleucine or valine' 0 C--N 1.345 0.411 0 CA-C-N 113.487 -1.688 . . . . 0.0 109.605 -179.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.432 ' O ' ' C ' ' A' ' 22' ' ' ASN . 0.0 OUTLIER -44.58 -39.8 5.25 Favored 'General case' 0 C--N 1.345 0.387 0 CA-C-N 113.126 -1.852 . . . . 0.0 110.152 -179.717 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.47 ' CB ' ' O ' ' A' ' 19' ' ' GLU . 48.9 t30 -39.69 -86.65 0.0 OUTLIER 'General case' 0 C--N 1.347 0.498 0 CA-C-N 113.411 -1.722 . . . . 0.0 109.845 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.2 m -99.87 116.96 33.14 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 113.078 -1.874 . . . . 0.0 109.36 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.432 0 CA-C-N 113.14 -1.845 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.716 0 CA-C-O 121.959 0.755 . . . . 0.0 112.895 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.498 HG23 ' N ' ' A' ' 3' ' ' GLY . 0.9 OUTLIER -79.49 -43.32 23.46 Favored 'Isoleucine or valine' 0 C--N 1.345 0.404 0 CA-C-N 112.891 -1.655 . . . . 0.0 109.724 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.498 ' N ' HG23 ' A' ' 2' ' ' ILE . . . -71.7 -35.44 62.3 Favored Glycine 0 C--N 1.345 1.068 0 CA-C-N 113.091 -1.868 . . . . 0.0 111.895 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.426 ' O ' ' HB3' ' A' ' 7' ' ' HIS . 14.7 tttt -59.02 -53.83 54.02 Favored 'General case' 0 C--N 1.348 0.521 0 CA-C-N 113.22 -1.49 . . . . 0.0 109.418 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.406 ' O ' ' N ' ' A' ' 8' ' ' SER . 0.7 OUTLIER -51.78 -62.93 1.32 Allowed 'General case' 0 C--N 1.345 0.383 0 CA-C-N 112.971 -1.922 . . . . 0.0 109.689 -179.899 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 80.1 mt -42.56 -38.47 1.98 Allowed 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 112.879 -1.964 . . . . 0.0 110.531 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.426 ' HB3' ' O ' ' A' ' 4' ' ' LYS . 71.9 t60 -66.22 -48.5 70.35 Favored 'General case' 0 C--N 1.345 0.411 0 CA-C-N 113.572 -1.649 . . . . 0.0 110.173 -179.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 5' ' ' PHE . 84.5 p -55.43 -50.7 69.11 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 112.942 -1.936 . . . . 0.0 110.063 -179.378 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.9 -41.9 58.9 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 113.055 -1.884 . . . . 0.0 110.379 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.0 mtpt -66.61 -42.56 86.66 Favored 'General case' 0 C--N 1.345 0.379 0 CA-C-N 113.285 -1.78 . . . . 0.0 110.558 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -60.64 -37.46 81.59 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 113.209 -1.814 . . . . 0.0 110.163 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -72.47 -42.61 64.75 Favored 'General case' 0 C--N 1.346 0.425 0 CA-C-N 113.46 -1.7 . . . . 0.0 109.937 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.414 ' O ' ' HB3' ' A' ' 16' ' ' PHE . . . -58.27 -42.22 95.36 Favored Glycine 0 C--N 1.342 0.891 0 C-N-CA 118.445 -1.836 . . . . 0.0 111.319 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.415 ' HA ' ' HD3' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -58.43 -52.62 64.88 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 112.931 -1.634 . . . . 0.0 109.455 179.909 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.83 -27.8 68.34 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 112.679 -2.055 . . . . 0.0 110.62 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.423 ' O ' ' HB3' ' A' ' 19' ' ' GLU . 10.7 t80 -61.56 -49.28 77.31 Favored 'General case' 0 C--N 1.347 0.498 0 CA-C-N 113.762 -1.563 . . . . 0.0 109.576 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 69.2 t -59.23 -44.44 92.01 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-N 112.717 -2.038 . . . . 0.0 109.81 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -56.86 -25.81 53.29 Favored Glycine 0 CA--C 1.532 1.123 0 CA-C-N 112.994 -1.912 . . . . 0.0 112.281 179.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.423 ' HB3' ' O ' ' A' ' 16' ' ' PHE . 34.8 tt0 -68.44 -46.98 68.39 Favored 'General case' 0 C--N 1.35 0.607 0 CA-C-N 113.478 -1.361 . . . . 0.0 109.345 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.7 mp -51.44 -51.85 22.89 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 CA-C-N 112.823 -1.99 . . . . 0.0 109.072 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.85 -43.11 8.52 Favored 'General case' 0 C--N 1.345 0.382 0 CA-C-N 112.745 -2.025 . . . . 0.0 109.67 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.416 ' HB3' ' O ' ' A' ' 19' ' ' GLU . 21.2 t30 -69.12 -84.87 0.02 OUTLIER 'General case' 0 C--N 1.345 0.397 0 CA-C-N 113.037 -1.892 . . . . 0.0 109.426 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 p -120.36 177.04 5.18 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 112.96 -1.927 . . . . 0.0 109.483 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.372 0 CA-C-N 112.983 -1.917 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.735 0 CA-C-O 121.949 0.749 . . . . 0.0 112.831 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.439 HG23 ' N ' ' A' ' 3' ' ' GLY . 16.1 tt -86.53 -40.68 14.41 Favored 'Isoleucine or valine' 0 C--N 1.347 0.457 0 CA-C-N 112.882 -1.659 . . . . 0.0 109.863 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.439 ' N ' HG23 ' A' ' 2' ' ' ILE . . . -53.13 -37.42 54.35 Favored Glycine 0 C--N 1.346 1.133 0 C-N-CA 118.367 -1.873 . . . . 0.0 111.679 179.663 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 36.3 tttp -78.35 -42.53 30.22 Favored 'General case' 0 C--N 1.346 0.452 0 CA-C-N 113.074 -1.563 . . . . 0.0 109.857 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -49.88 -51.29 41.58 Favored 'General case' 0 C--N 1.346 0.421 0 CA-C-N 112.941 -1.936 . . . . 0.0 110.169 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.46 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 86.0 mt -55.07 -39.02 68.81 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 112.907 -1.952 . . . . 0.0 110.321 -179.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 16.7 t60 -54.97 -54.76 38.69 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 113.376 -1.738 . . . . 0.0 110.193 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.419 ' O ' ' N ' ' A' ' 11' ' ' LYS . 45.8 t -60.72 -43.07 98.3 Favored 'General case' 0 C--N 1.343 0.321 0 CA-C-N 112.985 -1.916 . . . . 0.0 110.081 -179.477 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.46 ' HB3' ' O ' ' A' ' 6' ' ' LEU . . . -43.83 -38.85 3.5 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 113.112 -1.858 . . . . 0.0 110.194 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.69 -46.52 82.05 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 113.326 -1.761 . . . . 0.0 109.99 -179.526 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 8' ' ' SER . 17.6 mmtp -51.44 -48.37 62.75 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 113.085 -1.87 . . . . 0.0 109.817 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -62.63 -44.38 96.42 Favored 'General case' 0 C--N 1.345 0.381 0 CA-C-N 113.055 -1.884 . . . . 0.0 109.844 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.13 -46.57 15.49 Favored Glycine 0 C--N 1.343 0.954 0 CA-C-N 113.0 -1.909 . . . . 0.0 111.646 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -67.41 -45.43 76.19 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 112.978 -1.611 . . . . 0.0 109.71 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.42 ' O ' ' HG3' ' A' ' 19' ' ' GLU . . . -47.55 -32.59 5.53 Favored 'General case' 0 CA--C 1.535 0.365 0 CA-C-N 112.934 -1.939 . . . . 0.0 110.524 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -71.07 -48.01 55.06 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-N 113.837 -1.529 . . . . 0.0 110.132 -179.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 64.9 t -57.89 -39.71 72.8 Favored 'Isoleucine or valine' 0 C--N 1.342 0.274 0 CA-C-N 113.088 -1.869 . . . . 0.0 110.426 -179.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.54 -41.58 89.93 Favored Glycine 0 C--N 1.344 1.02 0 CA-C-N 113.171 -1.831 . . . . 0.0 112.136 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 15' ' ' ALA . 70.6 mt-10 -66.04 -37.78 86.73 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 113.17 -1.515 . . . . 0.0 110.176 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.2 mm -67.62 -48.25 77.19 Favored 'Isoleucine or valine' 0 C--N 1.347 0.487 0 CA-C-N 113.444 -1.707 . . . . 0.0 109.769 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.434 ' O ' ' C ' ' A' ' 22' ' ' ASN . 21.2 mtt -55.03 -32.55 61.94 Favored 'General case' 0 C--N 1.346 0.418 0 CA-C-N 113.048 -1.887 . . . . 0.0 110.644 -179.697 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.434 ' C ' ' O ' ' A' ' 21' ' ' MET . 42.7 t30 -39.32 -48.1 1.82 Allowed 'General case' 0 C--N 1.349 0.571 0 CA-C-N 113.669 -1.605 . . . . 0.0 110.15 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.7 t -130.39 -84.92 0.53 Allowed 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 113.156 -1.838 . . . . 0.0 109.524 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.411 0 CA-C-N 113.098 -1.864 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.774 0 CA-C-O 121.824 0.68 . . . . 0.0 112.84 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.46 HG23 ' N ' ' A' ' 3' ' ' GLY . 13.9 tt -79.19 -43.25 24.03 Favored 'Isoleucine or valine' 0 C--N 1.345 0.379 0 CA-C-N 113.134 -1.533 . . . . 0.0 109.734 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.46 ' N ' HG23 ' A' ' 2' ' ' ILE . . . -59.54 -37.06 91.62 Favored Glycine 0 C--N 1.345 1.04 0 C-N-CA 118.576 -1.773 . . . . 0.0 112.09 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 7' ' ' HIS . 1.5 tmtp? -64.59 -48.12 76.13 Favored 'General case' 0 C--N 1.345 0.398 0 CA-C-N 113.182 -1.509 . . . . 0.0 109.669 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -44.11 -47.81 8.98 Favored 'General case' 0 C--N 1.344 0.329 0 CA-C-N 112.973 -1.921 . . . . 0.0 109.797 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.405 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 76.0 mt -62.51 -43.44 98.82 Favored 'General case' 0 C--N 1.343 0.313 0 CA-C-N 112.933 -1.939 . . . . 0.0 109.727 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.409 ' N ' ' O ' ' A' ' 4' ' ' LYS . 1.1 t60 -47.48 -43.65 24.62 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 112.881 -1.963 . . . . 0.0 109.884 -179.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.5 m -73.77 -35.11 64.94 Favored 'General case' 0 C--N 1.345 0.389 0 CA-C-N 113.142 -1.845 . . . . 0.0 110.377 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 6' ' ' LEU . . . -52.85 -54.43 34.53 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 113.446 -1.707 . . . . 0.0 109.751 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.3 ttmt -63.32 -46.45 86.58 Favored 'General case' 0 C--N 1.345 0.382 0 CA-C-N 113.049 -1.887 . . . . 0.0 109.876 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.8 ttmm -44.95 -69.37 0.14 Allowed 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 113.04 -1.891 . . . . 0.0 109.582 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -49.88 -51.18 42.46 Favored 'General case' 0 C--N 1.345 0.384 0 CA-C-N 113.061 -1.882 . . . . 0.0 109.741 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.418 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -44.83 -37.31 5.26 Favored Glycine 0 C--N 1.342 0.889 0 CA-C-N 112.879 -1.964 . . . . 0.0 112.022 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -75.11 -46.1 36.77 Favored 'General case' 0 C--N 1.344 0.364 0 CA-C-N 113.143 -1.528 . . . . 0.0 109.761 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.97 -35.85 11.56 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 112.815 -1.993 . . . . 0.0 110.036 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.432 ' O ' HG12 ' A' ' 20' ' ' ILE . 3.2 m-85 -65.54 -63.73 1.03 Allowed 'General case' 0 C--N 1.347 0.473 0 CA-C-N 113.447 -1.706 . . . . 0.0 109.4 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 13' ' ' GLY . 46.4 t -45.46 -31.91 1.08 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 CA-C-N 112.802 -1.999 . . . . 0.0 110.36 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -66.37 -37.97 93.23 Favored Glycine 0 C--N 1.349 1.255 0 C-N-CA 118.753 -1.689 . . . . 0.0 112.526 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 16' ' ' PHE . 76.0 mm-40 -110.82 23.81 13.72 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 113.467 -1.366 . . . . 0.0 111.266 -179.508 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.432 HG12 ' O ' ' A' ' 16' ' ' PHE . 13.2 mm -113.84 -38.86 2.87 Favored 'Isoleucine or valine' 0 C--N 1.347 0.479 0 CA-C-N 114.051 -1.431 . . . . 0.0 109.415 179.122 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.51 -34.9 17.26 Favored 'General case' 0 C--N 1.348 0.52 0 CA-C-N 113.182 -1.826 . . . . 0.0 110.09 179.505 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.516 HD22 ' C ' ' A' ' 22' ' ' ASN . 0.4 OUTLIER -66.52 -43.75 84.38 Favored 'General case' 0 C--N 1.347 0.479 0 CA-C-N 113.45 -1.704 . . . . 0.0 109.851 -179.544 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.7 m -94.82 92.42 6.94 Favored 'General case' 0 C--N 1.345 0.393 0 CA-C-N 113.192 -1.822 . . . . 0.0 109.504 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.37 0 CA-C-N 113.014 -1.903 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.459 ' C ' ' H ' ' A' ' 3' ' ' GLY . . . . . . . . 0 CA--C 1.526 0.771 0 CA-C-O 121.922 0.735 . . . . 0.0 112.912 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.421 ' O ' HG13 ' A' ' 2' ' ' ILE . 4.4 tp -80.33 28.71 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 CA-C-N 112.938 -1.631 . . . . 0.0 110.387 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.459 ' H ' ' C ' ' A' ' 1' ' ' GLY . . . -145.83 -44.76 0.04 OUTLIER Glycine 0 C--N 1.35 1.326 0 C-N-CA 118.523 -1.799 . . . . 0.0 111.389 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.58 -42.85 67.28 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 112.806 -1.697 . . . . 0.0 109.654 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -46.88 -50.1 19.2 Favored 'General case' 0 C--N 1.346 0.432 0 CA-C-N 113.139 -1.846 . . . . 0.0 109.736 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.92 -42.38 94.76 Favored 'General case' 0 C--N 1.343 0.311 0 CA-C-N 112.937 -1.938 . . . . 0.0 109.545 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 22.4 t-80 -46.89 -41.45 15.9 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 113.07 -1.877 . . . . 0.0 109.843 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 87.2 p -76.58 -46.89 24.34 Favored 'General case' 0 C--N 1.347 0.457 0 CA-C-N 113.136 -1.847 . . . . 0.0 109.791 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -43.43 -41.26 4.16 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 112.849 -1.978 . . . . 0.0 110.045 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.23 -50.16 71.33 Favored 'General case' 0 C--N 1.345 0.387 0 CA-C-N 113.176 -1.829 . . . . 0.0 110.033 -179.444 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 14' ' ' LYS . 37.9 tttm -52.12 -58.76 5.61 Favored 'General case' 0 C--N 1.343 0.325 0 CA-C-N 113.189 -1.823 . . . . 0.0 109.656 -179.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.453 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 45.6 t80 -43.01 -43.71 4.36 Favored 'General case' 0 C--N 1.346 0.447 0 CA-C-N 113.136 -1.847 . . . . 0.0 109.813 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -55.39 -46.53 79.93 Favored Glycine 0 C--N 1.345 1.048 0 CA-C-N 112.966 -1.925 . . . . 0.0 111.751 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 17' ' ' VAL . 11.5 tmtt? -60.33 -46.23 90.64 Favored 'General case' 0 C--N 1.345 0.392 0 CA-C-N 113.115 -1.543 . . . . 0.0 109.637 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -44.35 -42.61 6.94 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 112.897 -1.956 . . . . 0.0 109.843 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -61.43 -46.57 89.54 Favored 'General case' 0 C--N 1.346 0.447 0 CA-C-N 113.074 -1.876 . . . . 0.0 109.652 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' A' ' 14' ' ' LYS . 73.6 t -49.92 -45.47 22.32 Favored 'Isoleucine or valine' 0 C--N 1.344 0.366 0 CA-C-N 112.999 -1.909 . . . . 0.0 109.77 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.476 ' O ' ' OG ' ' A' ' 23' ' ' SER . . . -54.42 -44.06 76.87 Favored Glycine 0 C--N 1.343 0.961 0 CA-C-N 112.95 -1.932 . . . . 0.0 111.961 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.432 ' HA ' ' H ' ' A' ' 23' ' ' SER . 45.5 tt0 -62.31 -41.75 98.78 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 113.116 -1.542 . . . . 0.0 109.374 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.42 ' HB ' ' O ' ' A' ' 17' ' ' VAL . 10.6 mm -56.45 -49.6 76.45 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 CA-C-N 113.196 -1.82 . . . . 0.0 108.877 179.569 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.644 ' O ' ' CB ' ' A' ' 22' ' ' ASN . 19.1 ttt -62.98 -10.72 14.8 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 112.985 -1.916 . . . . 0.0 110.565 179.304 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.644 ' CB ' ' O ' ' A' ' 21' ' ' MET . 10.0 t30 96.24 52.45 0.0 OUTLIER 'General case' 0 C--N 1.357 0.906 0 O-C-N 125.216 1.573 . . . . 0.0 109.746 179.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.476 ' OG ' ' O ' ' A' ' 18' ' ' GLY . 53.3 m -88.51 133.92 34.01 Favored 'General case' 0 C--N 1.346 0.416 0 CA-C-N 112.863 -1.971 . . . . 0.0 109.153 179.449 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.344 0.349 0 CA-C-N 113.003 -1.908 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_